- 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   2.77 +/- 0.16  83.669% * 92.0167% (0.95  10.0   3.37  47.69) =  98.699%  kept
          HA    ALA   12 - HN    MET   11   5.23 +/- 0.42  13.669% *  7.4121% (0.73   1.0   2.10  12.07) =   1.299%  kept
          HA    GLU-  14 - HN    MET   11  10.81 +/- 1.32   1.844% *  0.0590% (0.61   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    MET   11  22.38 +/- 4.48   0.267% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.00 +/- 2.79   0.083% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  29.47 +/- 3.84   0.080% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  32.57 +/- 4.02   0.063% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  29.34 +/- 6.46   0.125% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  38.60 +/- 4.84   0.038% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  38.06 +/- 5.42   0.041% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  30.92 +/- 5.05   0.079% *  0.0243% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  37.36 +/- 4.83   0.042% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.552, support = 2.84, residual support = 12.2:
      O   HA    ALA   12 - HN    ALA   12   2.78 +/- 0.14  38.106% * 68.6590% (0.71  10.0   2.38  12.35) =  58.707%  kept
      O   HA    MET   11 - HN    ALA   12   2.39 +/- 0.15  59.250% * 31.0568% (0.32  10.0   3.50  12.07) =  41.289%  kept
          HA    GLU-  14 - HN    ALA   12   7.59 +/- 1.13   2.425% *  0.0691% (0.72   1.0   0.02   0.02) =   0.004%
          HA    LEU  104 - HN    ALA   12  28.81 +/- 5.09   0.053% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  36.60 +/- 5.04   0.020% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  26.70 +/- 2.53   0.048% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  27.49 +/- 3.81   0.048% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  30.86 +/- 3.58   0.031% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  37.12 +/- 4.35   0.018% *  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 = 0.136, support = 1.71, residual support = 5.18:
      O   HA    ALA   12 - HN    SER   13   2.51 +/- 0.21  86.915% * 87.2874% (0.14  10.0   1.71   5.16) =  98.176%  kept
          HA    GLU-  14 - HN    SER   13   4.99 +/- 0.46  12.725% * 11.0670% (0.20   1.0   1.49   6.63) =   1.822%  kept
          HA    LEU  104 - HN    SER   13  26.80 +/- 4.60   0.151% *  0.3959% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    SER   13  25.04 +/- 4.05   0.135% *  0.3959% (0.53   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    SER   13  35.38 +/- 3.94   0.036% *  0.7377% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  34.97 +/- 4.38   0.039% *  0.1161% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 6.15:
      O   QB    SER   13 - HN    SER   13   2.91 +/- 0.36  96.138% * 99.5044% (0.87  10.0   2.06   6.15) =  99.996%  kept
          HB3   SER   37 - HN    SER   13  15.77 +/- 5.04   2.277% *  0.1124% (0.98   1.0   0.02   0.02) =   0.003%
          HB    THR   39 - HN    SER   13  16.99 +/- 4.62   1.178% *  0.1029% (0.90   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   13  27.83 +/- 5.28   0.229% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  34.74 +/- 3.13   0.067% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  30.89 +/- 5.72   0.112% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.5:
      O   HA    GLN   17 - HN    VAL   18   2.61 +/- 0.06  90.747% * 99.5491% (0.81  10.0   5.47  50.49) =  99.996%  kept
          HA    GLU-  15 - HN    VAL   18   7.38 +/- 0.46   4.219% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    VAL   18  14.96 +/- 4.82   0.801% *  0.1100% (0.89   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    VAL   18  11.34 +/- 1.92   2.009% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   18  17.75 +/- 4.72   0.523% *  0.0995% (0.81   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  18.83 +/- 5.85   0.409% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  21.39 +/- 5.35   0.465% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  15.95 +/- 4.19   0.705% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  26.20 +/- 5.87   0.123% *  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 = 5.54, residual support = 75.9:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.03  85.976% * 86.2007% (0.36  10.0   5.58  76.76) =  98.829%  kept
          HA1   GLY   16 - HN    VAL   18   6.72 +/- 0.12   6.699% * 12.9216% (0.43   1.0   2.51   0.02) =   1.154%  kept
          HA    VAL   70 - HN    VAL   18  12.04 +/- 6.02   3.890% *  0.1992% (0.84   1.0   0.02   0.02) =   0.010%
          HB2   SER   37 - HN    VAL   18  15.72 +/- 4.98   1.017% *  0.1839% (0.77   1.0   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    VAL   18  16.75 +/- 3.39   0.824% *  0.1300% (0.55   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   18  16.12 +/- 3.13   0.980% *  0.0944% (0.40   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   18  19.70 +/- 4.35   0.444% *  0.1992% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  26.14 +/- 7.70   0.170% *  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 = 6.56:
      O   HA    SER   13 - HN    GLU-  14   2.49 +/- 0.23  84.241% * 89.8281% (0.67  10.0   2.10   6.63) =  98.579%  kept
          HA    GLU-  15 - HN    GLU-  14   5.14 +/- 0.61  11.164% *  9.7429% (0.67   1.0   2.17   1.69) =   1.417%  kept
          HA    GLN   17 - HN    GLU-  14   8.78 +/- 1.33   2.698% *  0.0676% (0.51   1.0   0.02   0.02) =   0.002%
          HA    SER   37 - HN    GLU-  14  15.52 +/- 5.58   0.862% *  0.0676% (0.51   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLU-  14  17.68 +/- 3.20   0.312% *  0.0777% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  23.57 +/- 4.58   0.147% *  0.0880% (0.66   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  26.18 +/- 3.05   0.094% *  0.0745% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  19.83 +/- 2.43   0.216% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  23.77 +/- 4.80   0.180% *  0.0207% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  27.43 +/- 4.52   0.085% *  0.0144% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.66, residual support = 17.5:
          HN    GLN   17 - HN    GLY   16   2.46 +/- 0.11  97.232% * 86.9580% (0.13   3.67  17.53) =  99.955%  kept
          HN    ALA   61 - HN    GLY   16  17.61 +/- 3.65   0.366% *  3.4744% (0.97   0.02   0.02) =   0.015%
          HN    TRP   27 - HN    GLY   16  15.51 +/- 1.62   0.444% *  2.4079% (0.67   0.02   0.02) =   0.013%
          HN    THR   39 - HN    GLY   16  12.77 +/- 5.19   1.815% *  0.5409% (0.15   0.02   0.02) =   0.012%
          HE3   TRP   87 - HN    GLY   16  29.70 +/- 6.21   0.077% *  3.2359% (0.90   0.02   0.02) =   0.003%
          HN    ALA   91 - HN    GLY   16  29.79 +/- 4.23   0.066% *  3.3830% (0.94   0.02   0.02) =   0.003%
    Distance limit 4.44 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 = 3.67, residual support = 17.5:
        T HN    GLY   16 - HN    GLN   17   2.46 +/- 0.11  99.370% * 99.8536% (1.00 10.00   3.67  17.53) =  99.999%  kept
          HN    SER  117 - HN    GLN   17  23.09 +/- 5.09   0.533% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  27.05 +/- 6.23   0.097% *  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 = 0.494, support = 2.09, residual support = 5.93:
      O   HA    GLU-  15 - HN    GLY   16   2.44 +/- 0.21  83.180% * 75.2580% (0.47  10.0   2.05   5.46) =  96.117%  kept
          HA    GLN   17 - HN    GLY   16   4.98 +/- 0.09  10.459% * 24.1172% (0.97   1.0   3.15  17.53) =   3.873%  kept
          HA    SER   37 - HN    GLY   16  13.47 +/- 5.86   2.513% *  0.1532% (0.97   1.0   0.02   0.02) =   0.006%
          HA    SER   13 - HN    GLY   16   8.93 +/- 0.62   1.966% *  0.0753% (0.47   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    GLY   16  15.98 +/- 4.31   0.463% *  0.1062% (0.67   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLY   16  13.81 +/- 4.40   0.950% *  0.0477% (0.30   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLY   16  23.37 +/- 4.30   0.126% *  0.1492% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  19.59 +/- 3.78   0.222% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  25.72 +/- 5.08   0.120% *  0.0239% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.78, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.76 +/- 0.16  40.701% * 12.6997% (0.90   0.02   0.02) =  50.659%  kept
          HA    VAL   70 - HN    GLY   16  10.97 +/- 6.11  27.171% *  6.1679% (0.44   0.02   0.02) =  16.424%  kept
          HA    LYS+  33 - HN    GLY   16  14.01 +/- 4.27  12.331% * 10.5138% (0.75   0.02   0.02) =  12.706%  kept
          HA    GLU-  29 - HN    GLY   16  15.47 +/- 3.62   8.739% * 12.3380% (0.87   0.02   0.02) =  10.567%  kept
          HA    GLN   32 - HN    GLY   16  15.82 +/- 3.64   5.125% *  9.4500% (0.67   0.02   0.02) =   4.747%  kept
          HA    GLN  116 - HN    GLY   16  21.80 +/- 4.80   3.097% *  6.1679% (0.44   0.02   0.02) =   1.872%  kept
          HA    SER   48 - HN    GLY   16  25.59 +/- 5.21   0.995% * 12.6997% (0.90   0.02   0.02) =   1.238%  kept
          HB2   SER   82 - HN    GLY   16  29.12 +/- 6.45   0.677% * 13.2768% (0.94   0.02   0.02) =   0.882%  kept
          HD2   PRO   52 - HN    GLY   16  27.34 +/- 3.80   0.723% *  6.6964% (0.47   0.02   0.02) =   0.475%  kept
          HA    ALA   88 - HN    GLY   16  32.28 +/- 5.10   0.440% *  9.9899% (0.71   0.02   0.02) =   0.431%  kept
    Distance limit 3.55 A violated in 20 structures by 2.63 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.976, support = 5.16, residual support = 82.7:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.02  54.369% * 95.6046% (0.99  10.0   5.27  85.30) =  96.999%  kept
          HA    GLU-  15 - HN    GLN   17   3.24 +/- 0.29  40.073% *  4.0056% (0.49   1.0   1.71   0.02) =   2.995%  kept
          HA    SER   37 - HN    GLN   17  14.99 +/- 5.49   1.309% *  0.0956% (0.99   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    GLN   17   8.81 +/- 1.04   2.373% *  0.0470% (0.49   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    GLN   17  15.71 +/- 4.35   0.526% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLN   17  14.47 +/- 4.10   0.744% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  21.94 +/- 4.69   0.166% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  18.47 +/- 3.88   0.289% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  24.40 +/- 5.14   0.152% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 85.3:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  99.018% * 99.1229% (0.70  10.0 10.00   1.00  85.30) =  99.999%  kept
        T HE21  GLN   17 - HE22  GLN   32  20.74 +/- 4.48   0.140% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN   17  23.22 +/- 5.03   0.231% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  22.60 +/- 4.55   0.241% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  27.90 +/- 6.34   0.056% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  23.88 +/- 4.75   0.224% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  26.16 +/- 5.66   0.052% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  27.48 +/- 4.93   0.039% *  0.0078% (0.05   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 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  99.647% * 99.4952% (0.63  10.0   1.00  85.30) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  20.00 +/- 4.02   0.126% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  20.74 +/- 4.48   0.141% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  25.57 +/- 5.40   0.064% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  32.47 +/- 6.15   0.022% *  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 = 0.279, support = 3.33, residual support = 21.9:
      O   HA1   GLY   16 - HN    GLN   17   3.23 +/- 0.05  68.059% * 63.2036% (0.22  10.0   3.26  17.53) =  86.724%  kept
          HA    VAL   18 - HN    GLN   17   5.00 +/- 0.21  18.503% * 35.4245% (0.65   1.0   3.86  50.49) =  13.215%  kept
          HA    VAL   70 - HN    GLN   17  11.25 +/- 6.11   5.159% *  0.2833% (1.00   1.0   0.02   0.02) =   0.029%
          HA    LYS+  33 - HN    GLN   17  14.81 +/- 4.19   2.520% *  0.2371% (0.84   1.0   0.02   0.02) =   0.012%
          HB2   SER   37 - HN    GLN   17  13.34 +/- 5.63   3.013% *  0.1494% (0.53   1.0   0.02   0.02) =   0.009%
          HA    GLU-  29 - HN    GLN   17  15.44 +/- 3.76   1.865% *  0.1950% (0.69   1.0   0.02   0.02) =   0.007%
          HA    GLN  116 - HN    GLN   17  21.30 +/- 4.61   0.494% *  0.2833% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   SER   82 - HN    GLN   17  28.07 +/- 6.76   0.142% *  0.1607% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  23.89 +/- 5.64   0.245% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
    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 = 2.33, residual support = 5.22:
          HA    LEU   73 - HN    ILE   19   7.34 +/- 7.81 100.000% *100.0000% (0.87   2.33   5.22) = 100.000%  kept
    Distance limit 3.73 A violated in 6 structures by 4.35 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.87, residual support = 22.8:
      O   HA    VAL   18 - HN    ILE   19   2.23 +/- 0.04  93.234% * 92.5112% (0.65  10.0   4.87  22.86) =  99.851%  kept
          HA    VAL   70 - HN    ILE   19  10.64 +/- 5.10   1.811% *  6.9086% (1.00   1.0   0.97   0.02) =   0.145%  kept
          HB2   SER   37 - HN    ILE   19  12.94 +/- 4.74   1.067% *  0.0752% (0.53   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   19  13.51 +/- 2.91   0.632% *  0.1194% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    ILE   19  12.82 +/- 1.79   0.665% *  0.0982% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.24 +/- 0.45   1.895% *  0.0318% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  18.98 +/- 3.88   0.372% *  0.1427% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ILE   19  23.58 +/- 7.83   0.132% *  0.0810% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  20.17 +/- 5.59   0.192% *  0.0318% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.72, residual support = 171.7:
      O   HA    ILE   19 - HN    ILE   19   2.89 +/- 0.03  95.327% * 99.7071% (0.87  10.0   6.72 171.75) =  99.997%  kept
          HA    THR   26 - HN    ILE   19  10.99 +/- 1.86   2.635% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HA    GLU-  25 - HN    ILE   19  13.88 +/- 1.25   0.970% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ILE   19  19.53 +/- 3.32   0.429% *  0.1147% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ILE   19  22.35 +/- 4.13   0.406% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  24.62 +/- 7.12   0.233% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.04, residual support = 25.6:
      O   HA    ILE   19 - HN    ALA   20   2.24 +/- 0.08  94.814% * 99.7374% (0.97  10.0   5.04  25.60) =  99.997%  kept
          HA    THR   26 - HN    ALA   20   9.26 +/- 2.71   3.869% *  0.0388% (0.38   1.0   0.02   0.12) =   0.002%
          HA    GLU-  25 - HN    ALA   20  12.19 +/- 2.11   0.860% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ALA   20  20.51 +/- 3.38   0.196% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  23.40 +/- 7.29   0.140% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  24.85 +/- 4.19   0.121% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.90 +/- 0.03  96.234% * 99.9455% (0.97  10.0   3.14  15.21) =  99.998%  kept
          HA    LEU   71 - HN    ALA   20  10.89 +/- 5.75   3.766% *  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 = 3.63, residual support = 7.61:
        T HN    LYS+  74 - HN    CYS   21   6.51 +/- 6.45  46.689% * 99.2410% (0.76 10.00   3.63   7.62) =  99.905%  kept
        T HN    LYS+  74 - HN    ILE  119  17.76 +/- 2.98   7.997% *  0.3136% (0.24 10.00   0.02   0.02) =   0.054%
          HN    MET   11 - HN    CYS   21  19.28 +/- 4.02  10.895% *  0.0534% (0.41  1.00   0.02   0.02) =   0.013%
          HN    THR   46 - HN    CYS   21  14.04 +/- 4.89   3.604% *  0.1299% (1.00  1.00   0.02   0.02) =   0.010%
          HN    THR   46 - HN    ILE  119  16.64 +/- 1.57   5.169% *  0.0410% (0.32  1.00   0.02   0.02) =   0.005%
          HN    MET   92 - HN    CYS   21  19.21 +/- 4.08   1.472% *  0.1228% (0.95  1.00   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HN    ILE  119  10.59 +/- 0.82  15.815% *  0.0102% (0.08  1.00   0.02   0.02) =   0.003%
          HN    MET   92 - HN    ILE  119  18.02 +/- 2.03   3.469% *  0.0388% (0.30  1.00   0.02   0.02) =   0.003%
          HN    LYS+ 112 - HN    CYS   21  22.88 +/- 4.61   3.561% *  0.0324% (0.25  1.00   0.02   0.02) =   0.002%
          HN    MET   11 - HN    ILE  119  32.88 +/- 5.19   1.329% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 6 structures by 3.03 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.47, residual support = 16.8:
      O   HA    ALA   20 - HN    CYS   21   2.23 +/- 0.03  96.822% * 99.8901% (0.95  10.0   3.47  16.82) =  99.999%  kept
          HA    LEU   71 - HN    CYS   21  11.26 +/- 4.81   1.928% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  19.75 +/- 3.94   0.277% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  18.69 +/- 3.38   0.217% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.50 +/- 3.57   0.560% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  18.88 +/- 3.44   0.196% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.83, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.74 +/- 0.07  98.551% * 99.8043% (0.83  10.0   3.83  41.00) =  99.999%  kept
          HA    SER  117 - HN    ASP-  62  13.61 +/- 1.30   0.926% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    ASP-  62  19.79 +/- 2.53   0.375% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  24.29 +/- 1.71   0.148% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.522, support = 1.49, residual support = 6.17:
          HA    PHE   59 - HN    ASP-  62   4.05 +/- 0.50  78.095% * 92.4913% (0.52   1.50   6.20) =  99.600%  kept
          HA    ILE   56 - HN    ASP-  62   8.30 +/- 0.95  13.579% *  1.2332% (0.52   0.02   0.02) =   0.231%  kept
          HA    ASP- 113 - HN    ASP-  62  13.40 +/- 1.99   2.994% *  2.0287% (0.86   0.02   0.02) =   0.084%
          HA    LEU  123 - HN    ASP-  62  13.50 +/- 1.91   2.571% *  0.9897% (0.42   0.02   0.02) =   0.035%
          HA    LYS+  99 - HN    ASP-  62  18.02 +/- 3.81   1.560% *  1.6281% (0.69   0.02   0.02) =   0.035%
          HA    ASN   35 - HN    ASP-  62  21.55 +/- 2.88   0.702% *  1.3153% (0.56   0.02   0.02) =   0.013%
          HA    TRP   87 - HN    ASP-  62  22.97 +/- 2.02   0.499% *  0.3137% (0.13   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 0 structures by 0.22 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.32, residual support = 21.6:
          HN    THR   23 - HN    HIS   22   2.89 +/- 0.88  87.412% * 97.2649% (0.69   3.32  21.67) =  99.902%  kept
          HE3   TRP   27 - HN    HIS   22   7.56 +/- 2.14   6.091% *  0.8514% (1.00   0.02   0.02) =   0.061%
          QE    PHE   95 - HN    HIS   22  17.24 +/- 3.50   3.940% *  0.6196% (0.73   0.02   0.02) =   0.029%
          QD    PHE   55 - HN    HIS   22  21.60 +/- 4.63   0.331% *  0.8514% (1.00   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    HIS   22  16.55 +/- 7.95   1.537% *  0.1494% (0.18   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    HIS   22  16.28 +/- 3.91   0.689% *  0.2634% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.335, residual support = 5.17:
          HA    ALA   20 - HN    HIS   22   4.89 +/- 0.22  89.765% * 96.5684% (0.95   0.34   5.17) =  99.825%  kept
          HA    LEU   71 - HN    HIS   22  13.48 +/- 3.91   8.349% *  1.3552% (0.22   0.02   0.02) =   0.130%  kept
          HA    LYS+ 102 - HN    HIS   22  19.86 +/- 3.42   1.886% *  2.0764% (0.34   0.02   0.02) =   0.045%
    Distance limit 3.95 A violated in 1 structures by 0.93 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.72, residual support = 13.5:
        T HN    THR   26 - HN    THR   23   4.46 +/- 0.25  78.327% * 98.0553% (0.69 10.00   3.74  13.51) =  99.596%  kept
          HN    LEU   80 - HN    THR   23  13.49 +/- 8.61  16.896% *  1.8283% (0.34  1.00   0.75   0.86) =   0.401%  kept
          HN    ALA   34 - HN    THR   23  13.37 +/- 1.11   3.383% *  0.0356% (0.25  1.00   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    THR   23  21.05 +/- 3.35   1.394% *  0.0808% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.09 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.32, residual support = 21.7:
        T HN    HIS   22 - HN    THR   23   2.89 +/- 0.88  93.086% * 99.9047% (0.99 10.00   3.32  21.67) =  99.993%  kept
          HN    ASP-  76 - HN    THR   23  11.13 +/- 6.39   6.914% *  0.0953% (0.95  1.00   0.02   0.02) =   0.007%
    Distance limit 3.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.978, support = 7.86, residual support = 34.4:
        T HN    GLU-  25 - HN    VAL   24   2.83 +/- 0.13  88.689% * 96.3392% (0.98 10.00   7.89  34.44) =  99.567%  kept
          HN    ASN   28 - HN    VAL   24   5.86 +/- 0.25  10.401% *  3.5634% (0.41  1.00   1.76  13.53) =   0.432%  kept
          HN    ASP-  44 - HN    VAL   24  13.95 +/- 2.60   0.911% *  0.0974% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.89, residual support = 34.4:
        T HN    VAL   24 - HN    GLU-  25   2.83 +/- 0.13 100.000% *100.0000% (1.00 10.00   7.89  34.44) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 31.8:
        T HN    THR   26 - HN    GLU-  25   2.84 +/- 0.11  99.475% * 99.9840% (0.97 10.00   5.45  31.79) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.84 +/- 2.24   0.525% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.968, support = 5.4, residual support = 31.1:
        T HN    GLU-  25 - HN    THR   26   2.84 +/- 0.11  74.779% * 93.4623% (0.98 10.00   5.45  31.79) =  97.778%  kept
          HN    ASN   28 - HN    THR   26   4.14 +/- 0.19  24.641% *  6.4432% (0.41  1.00   3.29   0.42) =   2.221%  kept
          HN    ASP-  44 - HN    THR   26  15.30 +/- 2.79   0.580% *  0.0945% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 22.6:
          HN    TRP   27 - HN    THR   26   2.43 +/- 0.10  97.963% * 98.4538% (0.99   4.45  22.64) =  99.996%  kept
          HN    THR   39 - HN    THR   26  16.61 +/- 1.72   0.369% *  0.2887% (0.65   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    THR   26  20.69 +/- 7.39   0.314% *  0.2707% (0.61   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  19.98 +/- 2.65   0.235% *  0.3066% (0.69   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    THR   26  15.09 +/- 0.96   0.442% *  0.1113% (0.25   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  23.96 +/- 4.35   0.128% *  0.3411% (0.76   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  23.46 +/- 7.07   0.192% *  0.1675% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  19.38 +/- 4.05   0.356% *  0.0604% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.907, support = 3.6, residual support = 13.7:
          HN    THR   23 - HN    THR   26   4.46 +/- 0.25  61.134% * 63.1294% (0.97   3.74  13.51) =  88.276%  kept
          HE3   TRP   27 - HN    THR   26   7.58 +/- 0.32  12.664% * 27.5463% (0.49   3.23  22.64) =   7.979%  kept
          HD2   HIS   22 - HN    THR   26   7.75 +/- 1.60  19.744% *  8.2119% (0.45   1.05   0.02) =   3.709%  kept
          QE    PHE   95 - HN    THR   26  19.42 +/- 3.04   2.545% *  0.3312% (0.95   0.02   0.02) =   0.019%
          HN    LEU   67 - HN    THR   26  19.05 +/- 3.21   1.226% *  0.3232% (0.92   0.02   0.02) =   0.009%
          QD    PHE   55 - HN    THR   26  24.17 +/- 3.94   0.629% *  0.1982% (0.57   0.02   0.02) =   0.003%
          HD1   TRP   49 - HN    THR   26  23.57 +/- 4.06   0.572% *  0.2124% (0.61   0.02   0.02) =   0.003%
          HD21  ASN   35 - HN    THR   26  15.68 +/- 1.33   1.487% *  0.0474% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.866, support = 4.41, residual support = 62.2:
          HE3   TRP   27 - HN    TRP   27   5.20 +/- 0.26  29.348% * 70.5886% (1.00   5.33 106.70) =  57.792%  kept
          HN    THR   23 - HN    TRP   27   4.25 +/- 0.38  52.686% * 28.6980% (0.69   3.15   1.30) =  42.180%  kept
          QE    PHE   95 - HN    TRP   27  17.68 +/- 2.64   2.124% *  0.1927% (0.73   0.02   0.02) =   0.011%
          QD    PHE   55 - HN    TRP   27  22.68 +/- 3.74   0.535% *  0.2647% (1.00   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    TRP   27  16.53 +/- 8.27   2.756% *  0.0465% (0.18   0.02   0.02) =   0.004%
          QD    PHE   55 - HN    ALA   91  14.24 +/- 3.80   3.573% *  0.0327% (0.12   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    TRP   27  17.28 +/- 2.98   1.225% *  0.0819% (0.31   0.02   0.02) =   0.003%
          QE    PHE   95 - HN    ALA   91  11.81 +/- 0.85   2.714% *  0.0238% (0.09   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    ALA   91  20.03 +/- 4.06   0.692% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   91  11.67 +/- 1.21   2.895% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  21.45 +/- 4.57   0.522% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  21.84 +/- 3.42   0.931% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.09 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   2.43 +/- 0.10  99.151% * 99.8587% (0.97 10.00   4.45  22.64) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  23.96 +/- 4.35   0.129% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.42 +/- 1.96   0.606% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  23.87 +/- 1.59   0.114% *  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 = 6.74, residual support = 32.0:
        T HN    GLN   90 - HN    ALA   91   2.76 +/- 0.53  92.823% * 91.0962% (0.12 10.00   6.75  32.02) =  99.957%  kept
        T HN    GLN   90 - HN    TRP   27  22.58 +/- 4.92   0.309% *  7.3725% (0.95 10.00   0.02   0.02) =   0.027%
          HN    ILE  103 - HN    TRP   27  16.93 +/- 4.15   0.951% *  0.7794% (1.00  1.00   0.02   0.02) =   0.009%
          HN    SER   82 - HN    TRP   27  17.11 +/- 9.02   2.190% *  0.1735% (0.22  1.00   0.02   0.02) =   0.004%
          HN    GLY  109 - HN    ALA   91  12.66 +/- 3.19   1.796% *  0.0507% (0.07  1.00   0.02   0.02) =   0.001%
          HN    GLY  109 - HN    TRP   27  24.00 +/- 3.03   0.222% *  0.4100% (0.53  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    ALA   91  12.15 +/- 1.04   1.450% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  21.78 +/- 2.66   0.259% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 5.18, residual support = 49.5:
        T HN    ASN   28 - HN    TRP   27   2.73 +/- 0.13  72.863% * 94.7553% (0.99 10.00   5.23  50.38) =  98.222%  kept
          HN    GLU-  25 - HN    TRP   27   3.98 +/- 0.19  24.845% *  5.0267% (0.38  1.00   2.80   0.59) =   1.777%  kept
          HN    ASP-  44 - HN    TRP   27  13.20 +/- 2.73   0.816% *  0.0393% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  18.03 +/- 3.30   0.461% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  22.88 +/- 4.30   0.162% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  14.20 +/- 1.13   0.566% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  22.91 +/- 4.76   0.164% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  25.47 +/- 3.12   0.123% *  0.0057% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.34, residual support = 106.7:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  96.621% * 99.6433% (0.76  10.0   2.34 106.70) =  99.996%  kept
          HE21  GLN   30 - HE1   TRP   27  10.07 +/- 1.24   2.129% *  0.1292% (0.99   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HE1   TRP   27  15.68 +/- 2.95   0.950% *  0.0996% (0.76   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HE1   TRP   27  21.95 +/- 3.32   0.300% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.8, residual support = 106.7:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  98.555% * 99.8795% (0.45  10.0   1.80 106.70) =  99.998%  kept
          HZ    PHE   72 - HE1   TRP   27  13.71 +/- 2.25   1.445% *  0.1205% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.94, support = 5.08, residual support = 29.5:
          HN    GLU-  29 - HN    ASN   28   2.80 +/- 0.11  68.031% * 57.3555% (0.98   5.22  32.71) =  77.804%  kept
          HN    GLN   30 - HN    ASN   28   3.83 +/- 0.18  26.854% * 41.3299% (0.80   4.61  18.12) =  22.130%  kept
          HN    GLU-  14 - HN    ASN   28  16.52 +/- 4.43   2.960% *  1.0596% (0.22   0.42   0.02) =   0.063%
          HN    ASP-  86 - HN    ASN   28  19.68 +/- 8.67   0.538% *  0.1943% (0.87   0.02   0.02) =   0.002%
          HE1   HIS  122 - HN    ASN   28  20.10 +/- 5.49   1.040% *  0.0303% (0.14   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    ASN   28  14.91 +/- 1.80   0.577% *  0.0303% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.23, residual support = 50.4:
          HN    TRP   27 - HN    ASN   28   2.73 +/- 0.13  95.533% * 98.6802% (0.99   5.23  50.38) =  99.992%  kept
          HD1   TRP   87 - HN    ASN   28  18.90 +/- 7.75   0.794% *  0.2311% (0.61   0.02   0.02) =   0.002%
          HN    THR   39 - HN    ASN   28  14.33 +/- 1.01   0.715% *  0.2464% (0.65   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    ASN   28  18.97 +/- 2.89   0.472% *  0.2617% (0.69   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    ASN   28  12.73 +/- 0.54   0.986% *  0.0950% (0.25   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    ASN   28  21.27 +/- 7.56   0.462% *  0.1430% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   28  22.88 +/- 4.30   0.215% *  0.2911% (0.76   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  16.13 +/- 4.08   0.823% *  0.0516% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.418, support = 5.27, residual support = 49.8:
          HD1   TRP   27 - HN    ASN   28   2.92 +/- 0.38  91.722% * 79.8138% (0.41   5.36  50.38) =  98.076%  kept
          HE21  GLN   30 - HN    ASN   28   8.10 +/- 1.26   7.454% * 19.2200% (0.76   0.69  18.12) =   1.919%  kept
          QD    PHE   59 - HN    ASN   28  17.94 +/- 3.11   0.608% *  0.2977% (0.41   0.02   0.02) =   0.002%
          HH2   TRP   49 - HN    ASN   28  24.96 +/- 3.33   0.216% *  0.6685% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 105.6:
          HD22  ASN   28 - HN    ASN   28   2.11 +/- 0.33  99.353% * 99.9332% (0.92   5.68 105.59) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  12.76 +/- 1.63   0.647% *  0.0668% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.89 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 = 2.9, residual support = 105.6:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.684% * 99.9543% (0.98  10.0   2.90 105.59) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  12.90 +/- 1.91   0.316% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.996, support = 1.37, residual support = 3.78:
          HA    GLU-  25 - HD21  ASN   28   4.80 +/- 0.22  83.311% * 96.8340% (1.00   1.37   3.78) =  99.799%  kept
          HA    SER   82 - HD21  ASN   28  17.13 +/-10.19  10.682% *  0.8008% (0.57   0.02   0.02) =   0.106%  kept
          HA    ILE   19 - HD21  ASN   28  13.09 +/- 1.41   4.983% *  1.3381% (0.95   0.02   0.02) =   0.082%
          HA    CYS   53 - HD21  ASN   28  21.96 +/- 2.14   1.024% *  1.0271% (0.73   0.02   0.02) =   0.013%
    Distance limit 4.42 A violated in 0 structures by 0.37 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 5.91, residual support = 101.2:
      O   HA    ASN   28 - HN    ASN   28   2.73 +/- 0.05  75.112% * 85.5146% (0.84  10.0   5.98 105.59) =  95.820%  kept
          HA    THR   26 - HN    ASN   28   4.28 +/- 0.17  19.919% * 14.0444% (0.65   1.0   4.24   0.42) =   4.173%  kept
          HA1   GLY  101 - HN    ASN   28  15.62 +/- 4.51   1.523% *  0.1022% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    ASN   28  21.66 +/- 4.24   1.366% *  0.0888% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ASN   28  11.36 +/- 0.69   1.091% *  0.0988% (0.97   1.0   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    ASN   28  25.36 +/- 4.57   0.387% *  0.0968% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ASN   28  25.96 +/- 5.65   0.376% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.89 +/- 4.23   0.228% *  0.0316% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 5.1, residual support = 99.2:
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.04  52.382% * 90.4766% (0.97  10.0   5.27 106.70) =  91.881%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.02  45.142% *  9.2758% (0.10  10.0   3.12  14.40) =   8.118%  kept
          HA    ALA   91 - HN    TRP   27  21.31 +/- 4.27   0.157% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.88 +/- 2.83   0.170% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.96 +/- 3.87   1.083% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  25.07 +/- 3.15   0.099% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.23 +/- 3.92   0.155% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  16.32 +/- 1.49   0.283% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  22.22 +/- 4.00   0.129% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  15.21 +/- 2.35   0.400% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 22.6:
          HB    THR   26 - HN    TRP   27   3.08 +/- 0.18  94.762% * 99.0042% (0.99   4.45  22.64) =  99.993%  kept
          HA    ASP-  62 - HN    TRP   27  18.80 +/- 2.53   0.590% *  0.4330% (0.97   0.02   0.02) =   0.003%
          HA    SER  117 - HN    TRP   27  25.39 +/- 5.32   0.730% *  0.3258% (0.73   0.02   0.02) =   0.003%
          HA    SER   82 - HN    TRP   27  19.14 +/- 8.94   1.213% *  0.0786% (0.18   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  20.27 +/- 2.99   0.434% *  0.0535% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.07 +/- 0.94   1.720% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  24.37 +/- 4.26   0.234% *  0.0549% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  22.78 +/- 2.58   0.316% *  0.0403% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 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  22.17 +/- 4.16 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.44 A violated in 20 structures by 17.73 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.334, support = 4.62, residual support = 33.5:
      O   HB    THR   26 - HN    THR   26   2.14 +/- 0.11  80.939% * 21.3631% (0.15  10.0   4.16  34.82) =  56.341%  kept
      O   HA    GLU-  25 - HN    THR   26   3.61 +/- 0.04  17.092% * 78.3875% (0.57  10.0   5.23  31.79) =  43.655%  kept
          HA    ILE   19 - HN    THR   26  10.29 +/- 2.14   1.457% *  0.0472% (0.34   1.0   0.02   0.02) =   0.002%
          HA    SER   82 - HN    THR   26  20.03 +/- 9.25   0.305% *  0.1381% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    THR   26  20.57 +/- 2.48   0.121% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  23.67 +/- 2.89   0.085% *  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 = 0.787, support = 3.08, residual support = 6.42:
          HA    THR   23 - HN    GLU-  25   3.91 +/- 0.40  43.760% * 59.7118% (0.98   2.81   6.42) =  57.585%  kept
          HB    THR   23 - HN    GLU-  25   3.82 +/- 0.75  48.721% * 39.4584% (0.53   3.45   6.42) =  42.367%  kept
          HA    LEU   80 - HN    GLU-  25  14.60 +/-10.03   5.776% *  0.2983% (0.69   0.02   0.02) =   0.038%
          HA    ASP-  78 - HN    GLU-  25  17.78 +/- 6.81   0.939% *  0.4108% (0.95   0.02   0.02) =   0.008%
          HA    ASP- 105 - HN    GLU-  25  22.64 +/- 4.29   0.803% *  0.1207% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.09 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.87, residual support = 127.5:
      O   HA    GLU-  25 - HN    GLU-  25   2.73 +/- 0.04  96.965% * 99.7793% (0.87  10.0   5.87 127.50) =  99.997%  kept
          HA    SER   82 - HN    GLU-  25  18.39 +/-10.02   1.302% *  0.1032% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLU-  25  12.32 +/- 1.93   1.543% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  25  23.50 +/- 2.78   0.191% *  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 = 0.712, support = 5.37, residual support = 25.7:
      O   HA    THR   23 - HN    VAL   24   2.37 +/- 0.33  68.983% * 90.8897% (0.73  10.0   5.38  25.75) =  97.153%  kept
          HB    THR   23 - HN    VAL   24   3.85 +/- 0.48  23.501% *  7.3665% (0.22   1.0   5.29  25.75) =   2.683%  kept
          HA    LEU   80 - HN    VAL   24  12.47 +/-10.01   6.572% *  1.6011% (0.34   1.0   0.75   5.26) =   0.163%  kept
          HA    ASP-  78 - HN    VAL   24  15.47 +/- 6.94   0.565% *  0.1208% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  14.92 +/- 3.78   0.379% *  0.0219% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.772, support = 3.42, residual support = 19.1:
      O   HA    THR   23 - HN    THR   23   2.72 +/- 0.25  66.714% * 36.7774% (0.61  10.0   3.05  19.10) =  57.745%  kept
      O   HB    THR   23 - HN    THR   23   3.65 +/- 0.21  29.554% * 60.5010% (1.00  10.0   3.95  19.10) =  42.082%  kept
          HA    LEU   80 - HN    THR   23  14.05 +/- 9.38   2.758% *  2.6469% (0.95   1.0   0.92   0.86) =   0.172%  kept
          HA    ASP- 105 - HN    THR   23  21.60 +/- 4.05   0.304% *  0.0560% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    THR   23  16.28 +/- 6.87   0.670% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.739, support = 0.02, residual support = 0.17:
          HA    ALA   20 - HN    THR   23   5.77 +/- 0.51  89.802% * 46.5057% (0.73   0.02   0.19) =  88.447%  kept
          HA    LEU   71 - HN    THR   23  14.29 +/- 3.41  10.198% * 53.4943% (0.84   0.02   0.02) =  11.553%  kept
    Distance limit 3.99 A violated in 15 structures by 1.77 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.64, residual support = 13.5:
          HB    THR   26 - HN    THR   23   3.87 +/- 0.15  94.941% * 98.5917% (0.99   2.64  13.51) =  99.977%  kept
          HA    ASP-  62 - HN    THR   23  17.70 +/- 2.60   1.470% *  0.7282% (0.97   0.02   0.02) =   0.011%
          HA    SER  117 - HN    THR   23  25.59 +/- 5.50   1.408% *  0.5480% (0.73   0.02   0.02) =   0.008%
          HA    SER   82 - HN    THR   23  18.93 +/- 8.64   2.181% *  0.1322% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.72 A violated in 0 structures by 0.17 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.9, residual support = 105.6:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  98.828% * 99.7763% (0.98  10.0   2.90 105.59) =  99.999%  kept
          HZ2   TRP   87 - HD22  ASN   28  16.68 +/- 9.37   0.632% *  0.1009% (0.99   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HD22  ASN   28  14.99 +/- 3.23   0.295% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  18.04 +/- 3.12   0.187% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  22.93 +/- 3.01   0.058% *  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 = 5.22, residual support = 32.7:
        T HN    ASN   28 - HN    GLU-  29   2.80 +/- 0.11  90.891% * 99.0345% (0.76 10.00   5.22  32.71) =  99.925%  kept
          HN    GLU-  25 - HN    GLU-  29   6.34 +/- 0.33   7.975% *  0.8408% (0.73  1.00   0.18   0.02) =   0.074%
          HN    ASP-  44 - HN    GLU-  29  15.49 +/- 2.34   0.614% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  18.86 +/- 3.31   0.520% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.22, residual support = 52.1:
        T HN    LEU   31 - HN    GLN   30   2.58 +/- 0.10  96.125% * 98.4622% (0.73 10.00   7.22  52.12) =  99.997%  kept
        T HN    PHE   55 - HN    GLN   30  25.63 +/- 3.68   0.163% *  1.3086% (0.97 10.00   0.02   0.02) =   0.002%
          HN    ASP-  62 - HN    GLN   30  19.22 +/- 2.64   0.349% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  23.68 +/- 6.76   0.235% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  11.92 +/- 2.83   2.008% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.16 +/- 3.37   0.156% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.64 +/- 3.78   0.431% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  22.04 +/- 4.97   0.278% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.53 +/- 2.38   0.126% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  24.80 +/- 2.72   0.128% *  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 = 44.6:
        T HN    LEU   31 - HN    GLN   32   2.70 +/- 0.18  96.529% * 99.0995% (0.98 10.00   5.85  44.60) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   32  27.40 +/- 3.48   0.137% *  0.6945% (0.69 10.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    GLN   32   9.13 +/- 0.48   2.683% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  20.87 +/- 2.72   0.308% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.13 +/- 3.23   0.129% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  24.71 +/- 7.12   0.213% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 44.6:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  99.746% * 99.4510% (0.87  10.0   1.00  44.65) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  20.62 +/- 3.88   0.131% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  23.16 +/- 5.06   0.072% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  33.30 +/- 5.28   0.020% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  30.57 +/- 5.74   0.032% *  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 = 44.6:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  98.601% * 98.9152% (0.83  10.0 10.00   1.00  44.65) =  99.999%  kept
          HN    ALA   84 - HE22  GLN   90  10.49 +/- 2.00   0.607% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  20.62 +/- 3.88   0.129% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  25.21 +/- 7.92   0.070% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  33.30 +/- 5.28   0.019% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  20.41 +/- 2.63   0.077% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  24.82 +/- 3.17   0.047% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  30.55 +/- 4.73   0.032% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  20.07 +/- 3.14   0.080% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  31.08 +/- 3.34   0.020% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  16.71 +/- 3.59   0.156% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  24.66 +/- 2.65   0.039% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  23.40 +/- 4.41   0.056% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  26.92 +/- 6.68   0.038% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  29.03 +/- 4.53   0.027% *  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 = 0.898, support = 5.77, residual support = 50.8:
          HN    GLU-  36 - HN    ASN   35   2.42 +/- 0.10  89.826% * 76.7482% (0.90   5.87  52.06) =  97.502%  kept
          HN    THR   39 - HN    ASN   35   5.57 +/- 0.47   7.799% * 22.5898% (0.97   1.61   0.02) =   2.492%  kept
          HN    LYS+ 102 - HN    ASN   35  10.83 +/- 2.87   1.459% *  0.2116% (0.73   0.02   0.02) =   0.004%
          HN    TRP   27 - HN    ASN   35  12.45 +/- 0.74   0.704% *  0.1198% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  23.86 +/- 5.98   0.152% *  0.2856% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  28.54 +/- 2.32   0.059% *  0.0450% (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 = 54.7:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  54.72) = 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 = 54.7:
      O   HA    ASN   35 - HN    ASN   35   2.82 +/- 0.03  88.087% * 99.5029% (0.98  10.0   4.55  54.72) =  99.992%  kept
          HA    LYS+  99 - HN    ASN   35   9.29 +/- 1.93   3.499% *  0.0910% (0.90   1.0   0.02   0.02) =   0.004%
          HA    LEU   40 - HN    ASN   35   8.58 +/- 1.08   4.933% *  0.0494% (0.49   1.0   0.02   0.02) =   0.003%
          HA    GLU-  15 - HN    ASN   35  13.84 +/- 3.96   1.452% *  0.0313% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ASN   35  16.92 +/- 5.11   1.129% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  21.52 +/- 4.72   0.304% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.33 +/- 3.10   0.133% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  23.79 +/- 4.12   0.343% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  27.44 +/- 3.18   0.119% *  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 = 159.3:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.150% * 99.6989% (0.90  10.0   2.40 159.29) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   7.81 +/- 1.21   1.419% *  0.1102% (0.99   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HE22  GLN   30  15.05 +/- 3.36   0.379% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.53 +/- 3.69   0.053% *  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 = 159.3:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.403% * 99.8775% (0.92  10.0 10.00   2.40 159.29) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  14.43 +/- 3.66   0.535% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  23.11 +/- 3.36   0.061% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.569, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  12.83 +/- 1.77  16.807% *  6.4793% (0.25   0.02   0.02) =  28.176%  kept
          HA    ALA  110 - HN    GLN   30  25.80 +/- 3.18   2.726% * 25.9267% (1.00   0.02   0.02) =  18.289%  kept
          HA    GLN   90 - HN    GLN   30  24.20 +/- 4.38   2.414% * 25.0767% (0.97   0.02   0.02) =  15.666%  kept
          HA    PHE   55 - HN    GLN   30  26.43 +/- 4.61   2.632% * 21.7040% (0.84   0.02   0.02) =  14.780%  kept
          HA    VAL  107 - HN    GLN   30  21.53 +/- 2.03   3.859% *  8.8635% (0.34   0.02   0.02) =   8.850%  kept
          HA    VAL   42 - HN    LYS+  99   8.11 +/- 1.31  47.882% *  0.4257% (0.02   0.02   0.02) =   5.274%  kept
          HA    ALA   91 - HN    GLN   30  23.44 +/- 3.47   2.584% *  5.7850% (0.22   0.02   0.02) =   3.868%  kept
          HA    VAL  107 - HN    LYS+  99  13.70 +/- 0.37  10.826% *  0.5823% (0.02   0.02   0.02) =   1.631%  kept
          HA    ALA  110 - HN    LYS+  99  20.62 +/- 1.21   3.325% *  1.7034% (0.07   0.02   0.02) =   1.466%  kept
          HA    GLN   90 - HN    LYS+  99  23.97 +/- 2.44   2.599% *  1.6475% (0.06   0.02   0.02) =   1.108%  kept
          HA    PHE   55 - HN    LYS+  99  25.03 +/- 2.67   1.715% *  1.4259% (0.05   0.02   0.02) =   0.633%  kept
          HA    ALA   91 - HN    LYS+  99  22.76 +/- 1.56   2.629% *  0.3801% (0.01   0.02   0.02) =   0.259%  kept
    Distance limit 4.33 A violated in 20 structures by 3.45 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.777, support = 4.72, residual support = 36.7:
          HN    ALA   34 - HN    LYS+  33   2.45 +/- 0.13  54.958% * 79.1885% (0.90   4.60  41.04) =  82.865%  kept
          HN    GLN   32 - HN    LYS+  33   2.63 +/- 0.16  44.858% * 20.0603% (0.20   5.28  15.48) =  17.134%  kept
          HN    LEU   80 - HN    LYS+  33  20.93 +/- 5.53   0.138% *  0.3706% (0.97   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  33  27.48 +/- 2.53   0.045% *  0.3806% (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 = 54.7:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00  99.678% * 99.5403% (0.73  10.0   2.00  54.72) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  20.31 +/- 2.76   0.077% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  20.54 +/- 2.96   0.078% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  18.79 +/- 2.23   0.091% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  21.47 +/- 2.15   0.058% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  31.66 +/- 2.71   0.018% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.87, residual support = 52.1:
        T HN    ASN   35 - HN    GLU-  36   2.42 +/- 0.10  98.587% * 99.7986% (0.99 10.00   5.87  52.06) =  99.998%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.05 +/- 1.41   0.884% *  0.1363% (0.14 10.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLU-  36  18.43 +/- 4.72   0.529% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.438, support = 4.01, residual support = 11.9:
          HN    GLU-  36 - HN    SER   37   2.53 +/- 0.13  69.609% * 30.8837% (0.25   4.34  18.63) =  52.624%  kept
          HN    THR   39 - HN    SER   37   3.48 +/- 0.27  28.844% * 67.0856% (0.65   3.64   4.51) =  47.366%  kept
          HN    TRP   27 - HN    SER   37  14.70 +/- 1.09   0.368% *  0.5655% (0.99   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    SER   37  21.43 +/- 3.19   0.216% *  0.3919% (0.69   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    SER   37  12.05 +/- 1.61   0.738% *  0.0772% (0.14   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    SER   37  25.71 +/- 5.06   0.089% *  0.3460% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  26.19 +/- 6.26   0.095% *  0.2141% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  30.23 +/- 1.69   0.042% *  0.4360% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.14, residual support = 27.9:
          HN    THR   39 - HN    LYS+  38   2.73 +/- 0.11  69.070% * 80.7003% (0.95   5.43  30.37) =  91.337%  kept
          HN    GLU-  36 - HN    LYS+  38   3.68 +/- 0.15  28.760% * 18.3721% (0.57   2.06   1.81) =   8.658%  kept
          HN    LYS+ 102 - HN    LYS+  38  11.22 +/- 1.61   1.216% *  0.1180% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.59 +/- 1.10   0.402% *  0.2403% (0.76   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    LYS+  38  25.52 +/- 4.89   0.115% *  0.2902% (0.92   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    LYS+  38  21.13 +/- 3.33   0.253% *  0.1073% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  30.07 +/- 1.51   0.054% *  0.1293% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  25.79 +/- 6.20   0.130% *  0.0426% (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 = 50.0:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.02  63.920% * 83.1170% (0.38  10.0   4.70  52.06) =  93.797%  kept
          HA    SER   37 - HN    GLU-  36   5.09 +/- 0.11  22.398% * 15.5837% (0.38   1.0   3.75  18.63) =   6.162%  kept
          HA    LEU   40 - HN    GLU-  36   9.75 +/- 0.95   3.866% *  0.2215% (1.00   1.0   0.02   0.02) =   0.015%
          HA    GLU-  15 - HN    GLU-  36  13.82 +/- 4.52   3.518% *  0.2095% (0.95   1.0   0.02   0.02) =   0.013%
          HA    SER   13 - HN    GLU-  36  16.66 +/- 5.23   1.360% *  0.2095% (0.95   1.0   0.02   0.02) =   0.005%
          HA    LYS+  99 - HN    GLU-  36  10.59 +/- 1.66   2.916% *  0.0552% (0.25   1.0   0.02   0.02) =   0.003%
          HA    PRO   58 - HN    GLU-  36  25.23 +/- 4.17   0.458% *  0.2137% (0.97   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    GLU-  36  17.51 +/- 3.52   0.829% *  0.0831% (0.38   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU-  36  22.53 +/- 5.07   0.394% *  0.1165% (0.53   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  25.91 +/- 1.09   0.172% *  0.0993% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.01 +/- 3.13   0.169% *  0.0910% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.05, residual support = 86.3:
      O   HA    GLU-  36 - HN    GLU-  36   2.81 +/- 0.04  99.283% * 99.7892% (0.69  10.0   6.05  86.32) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.39 +/- 2.13   0.256% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  27.37 +/- 3.94   0.129% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  23.25 +/- 6.02   0.332% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.47, residual support = 29.7:
      O   HA    SER   37 - HN    SER   37   2.91 +/- 0.03  89.541% * 99.4774% (0.97  10.0   4.47  29.75) =  99.992%  kept
          HA    LEU   40 - HN    SER   37   8.32 +/- 0.83   4.588% *  0.0542% (0.53   1.0   0.02   0.52) =   0.003%
          HA    GLU-  15 - HN    SER   37  13.18 +/- 4.75   2.805% *  0.0748% (0.73   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    SER   37  16.78 +/- 4.09   0.751% *  0.0995% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    SER   37  16.38 +/- 4.95   0.959% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  13.77 +/- 0.84   0.890% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  24.29 +/- 3.80   0.330% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  25.36 +/- 1.03   0.137% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.6:
      O   HA    GLU-  36 - HN    SER   37   3.49 +/- 0.05  99.130% * 99.6452% (0.34  10.0   4.29  18.63) =  99.998%  kept
          HA    LYS+  66 - HN    SER   37  19.93 +/- 2.48   0.641% *  0.2819% (0.97   1.0   0.02   0.02) =   0.002%
          HA    LYS+  81 - HN    SER   37  27.46 +/- 3.21   0.229% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.727, support = 4.85, residual support = 20.7:
      O   HA    SER   37 - HN    LYS+  38   3.41 +/- 0.06  83.518% * 95.1464% (0.73  10.0   4.87  20.77) =  99.536%  kept
          HA    LEU   40 - HN    LYS+  38   7.33 +/- 0.37   8.650% *  4.2014% (0.84   1.0   0.77   0.59) =   0.455%  kept
          HA    GLU-  15 - HN    LYS+  38  13.90 +/- 4.48   2.632% *  0.1265% (0.97   1.0   0.02   0.02) =   0.004%
          HA    SER   13 - HN    LYS+  38  17.33 +/- 4.97   1.166% *  0.1265% (0.97   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    LYS+  38  17.21 +/- 3.83   0.944% *  0.0951% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LYS+  38  23.95 +/- 3.71   0.455% *  0.1239% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    LYS+  38  13.31 +/- 0.42   1.421% *  0.0259% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  20.55 +/- 5.68   0.799% *  0.0292% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.21 +/- 0.76   0.210% *  0.1049% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.72 +/- 2.66   0.204% *  0.0202% (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 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.47, residual support = 1.81:
          HA    GLU-  36 - HN    LYS+  38   4.15 +/- 0.18  96.342% * 97.1262% (0.97   1.47   1.81) =  99.975%  kept
          HA    ALA  124 - HN    LYS+  38  21.17 +/- 6.79   1.834% *  0.6661% (0.49   0.02   0.02) =   0.013%
          HA    LYS+  66 - HN    LYS+  38  19.67 +/- 2.18   1.007% *  0.4668% (0.34   0.02   0.02) =   0.005%
          HA    LYS+  81 - HN    LYS+  38  27.57 +/- 2.88   0.357% *  1.2273% (0.90   0.02   0.02) =   0.005%
          HA    ARG+  54 - HN    LYS+  38  28.40 +/- 4.31   0.460% *  0.5136% (0.38   0.02   0.02) =   0.003%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 38.5:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.03  96.910% * 99.4345% (1.00  10.0   3.93  38.54) =  99.998%  kept
          HA    ILE  103 - HN    THR   39  12.20 +/- 0.88   1.342% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   39  17.07 +/- 0.47   0.467% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  20.34 +/- 4.55   0.461% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  23.51 +/- 2.02   0.193% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  22.98 +/- 2.49   0.231% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  23.57 +/- 1.78   0.193% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  30.49 +/- 2.72   0.092% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  28.75 +/- 3.63   0.112% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 24.0:
      O   HA    THR   39 - HN    LEU   40   2.25 +/- 0.07  97.793% * 99.4345% (1.00  10.0   4.18  23.99) =  99.998%  kept
          HA    ILE  103 - HN    LEU   40  10.95 +/- 1.29   1.112% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   40  14.29 +/- 0.49   0.388% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  22.17 +/- 2.19   0.128% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.00 +/- 2.43   0.158% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  21.43 +/- 2.13   0.135% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  22.14 +/- 4.23   0.153% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  27.59 +/- 3.09   0.064% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  27.08 +/- 3.22   0.068% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 5.14, residual support = 101.8:
      O   HA    LEU   40 - HN    LEU   40   2.85 +/- 0.06  71.588% * 97.6965% (1.00  10.0   5.16 102.23) =  99.569%  kept
          HA    LYS+  99 - HN    LEU   40   6.39 +/- 2.02  16.664% *  1.7790% (0.25   1.0   1.46  10.27) =   0.422%  kept
          HA    GLU-  15 - HN    LEU   40  13.50 +/- 4.99   1.811% *  0.0924% (0.95   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    LEU   40   8.31 +/- 0.96   3.332% *  0.0367% (0.38   1.0   0.02   0.02) =   0.002%
          HA    SER   37 - HN    LEU   40   8.22 +/- 0.21   2.999% *  0.0367% (0.38   1.0   0.02   0.52) =   0.002%
          HA    LEU  123 - HN    LEU   40  16.10 +/- 6.54   1.203% *  0.0514% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   40  14.80 +/- 5.55   1.243% *  0.0367% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    LEU   40  17.99 +/- 4.18   0.428% *  0.0924% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  18.98 +/- 2.87   0.344% *  0.0943% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.52 +/- 0.95   0.199% *  0.0438% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.46 +/- 1.92   0.189% *  0.0402% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.5, residual support = 75.8:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.01  98.264% * 99.4222% (0.22  10.0   4.50  75.81) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.20 +/- 0.41   0.873% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   41  20.86 +/- 1.82   0.304% *  0.1676% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    VAL   41  17.75 +/- 2.14   0.559% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 0.995, support = 5.11, residual support = 20.8:
      O   HA    LEU   40 - HN    VAL   41   2.26 +/- 0.04  72.557% * 97.4610% (1.00  10.0   5.13  20.98) =  99.332%  kept
          HA    LYS+  99 - HN    VAL   41   4.47 +/- 1.79  23.499% *  2.0157% (0.25   1.0   1.66   0.02) =   0.665%  kept
          HA    ASN   35 - HN    VAL   41   8.89 +/- 0.93   1.366% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    VAL   41  14.95 +/- 3.57   0.386% *  0.0922% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   41  10.77 +/- 0.85   0.713% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  17.34 +/- 2.64   0.244% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  15.80 +/- 5.03   0.435% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  15.45 +/- 4.51   0.376% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.55 +/- 2.76   0.135% *  0.0922% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.56 +/- 0.47   0.156% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.12 +/- 1.71   0.132% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.51, residual support = 26.5:
        T HN    LEU   98 - HN    VAL   41   4.09 +/- 0.89 100.000% *100.0000% (0.97 10.00   5.51  26.53) = 100.000%  kept
    Distance limit 4.21 A violated in 1 structures by 0.32 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.16, residual support = 4.0:
          HA    PHE   72 - HN    VAL   42   4.42 +/- 1.42 100.000% *100.0000% (0.22   1.16   4.00) = 100.000%  kept
    Distance limit 4.25 A violated in 2 structures by 0.62 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.28, residual support = 28.5:
      O   HA    VAL   41 - HN    VAL   42   2.28 +/- 0.10  97.984% * 99.4222% (0.22  10.0   5.28  28.53) =  99.996%  kept
          HA    PHE   45 - HN    VAL   42  10.65 +/- 0.41   0.981% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    THR   23 - HN    VAL   42  15.36 +/- 2.57   0.800% *  0.0689% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    VAL   42  17.51 +/- 1.22   0.235% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 89.4:
      O   HA    VAL   42 - HN    VAL   42   2.91 +/- 0.02  95.069% * 99.6568% (0.87  10.0   5.45  89.37) =  99.998%  kept
          HA    GLN   17 - HN    VAL   42  14.13 +/- 5.68   1.831% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   42  13.43 +/- 0.93   1.048% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  19.52 +/- 1.96   0.355% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  17.74 +/- 2.26   0.503% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.95 +/- 0.61   0.880% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  19.84 +/- 1.54   0.315% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.99, residual support = 39.1:
      O   HA    VAL   42 - HN    VAL   43   2.22 +/- 0.04  97.817% * 99.7026% (1.00  10.0   4.99  39.13) =  99.999%  kept
          HA    THR   46 - HN    VAL   43  11.49 +/- 0.43   0.725% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  16.62 +/- 5.10   0.375% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.79 +/- 1.05   0.240% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  17.94 +/- 1.45   0.205% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.68 +/- 1.82   0.386% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  16.74 +/- 1.57   0.251% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.276, support = 2.61, residual support = 5.3:
          HA    LYS+  74 - HN    ASP-  44   4.65 +/- 0.40  77.127% * 83.5620% (0.28   2.68   5.49) =  96.672%  kept
          HA    VAL   41 - HN    ASP-  44   8.09 +/- 0.45  15.763% * 13.3151% (0.20   0.60   0.02) =   3.148%  kept
          HA    MET   92 - HN    ASP-  44  12.21 +/- 0.88   4.731% *  1.9438% (0.87   0.02   0.02) =   0.138%  kept
          HA    HIS  122 - HN    ASP-  44  15.94 +/- 2.51   2.380% *  1.1790% (0.53   0.02   0.02) =   0.042%
    Distance limit 3.76 A violated in 1 structures by 0.85 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.9, residual support = 16.5:
      O   HA    VAL   43 - HN    ASP-  44   2.21 +/- 0.05  96.896% * 99.8182% (0.87  10.0   3.90  16.51) =  99.998%  kept
          HA    LEU   71 - HN    ASP-  44   9.49 +/- 1.09   1.537% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASP-  44  12.73 +/- 3.74   1.132% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASN   69 - HN    ASP-  44  13.69 +/- 1.11   0.435% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.78, residual support = 39.5:
      O   HA    ASP-  44 - HN    ASP-  44   2.89 +/- 0.04  86.609% * 98.9185% (0.49  10.0   3.79  39.48) =  99.985%  kept
          HB    THR   77 - HN    ASP-  44   9.55 +/- 1.84   9.040% *  0.0835% (0.41   1.0   0.02   0.02) =   0.009%
          HA    LEU  104 - HN    ASP-  44  14.21 +/- 2.05   1.136% *  0.1396% (0.69   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    ASP-  44  17.04 +/- 2.74   0.531% *  0.2028% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  11.65 +/- 1.12   1.474% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  19.54 +/- 3.93   0.375% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  16.95 +/- 2.20   0.522% *  0.0835% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  23.87 +/- 2.30   0.170% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  25.77 +/- 3.19   0.144% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.43, residual support = 27.4:
        T HN    THR   94 - HN    PHE   45   2.92 +/- 0.55  96.357% * 99.8815% (0.84 10.00   3.43  27.37) =  99.996%  kept
          HN    GLU-  79 - HN    PHE   45  10.27 +/- 1.27   3.643% *  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 = 5.64, residual support = 80.0:
          QD    PHE   45 - HN    PHE   45   2.18 +/- 0.62  98.448% * 98.5449% (0.53   5.64  80.00) =  99.991%  kept
          HD2   HIS  122 - HN    PHE   45  13.66 +/- 2.33   0.661% *  0.6415% (0.97   0.02   0.02) =   0.004%
          HE22  GLN  116 - HN    PHE   45  16.45 +/- 2.38   0.560% *  0.6288% (0.95   0.02   0.02) =   0.004%
          HE22  GLN   17 - HN    PHE   45  21.00 +/- 4.60   0.331% *  0.1848% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   4.10 +/- 0.98 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.64 A violated in 1 structures by 0.22 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.95, residual support = 80.0:
      O   HA    PHE   45 - HN    PHE   45   2.91 +/- 0.03  96.044% * 99.9134% (0.99  10.0   3.95  80.00) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.72 +/- 0.51   1.503% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  11.20 +/- 1.14   1.896% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.06 +/- 2.48   0.557% *  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 = 18.0:
      O   HA    ASP-  44 - HN    PHE   45   2.28 +/- 0.03  91.322% * 97.3354% (1.00  10.0   4.06  18.06) =  99.912%  kept
          HB    THR   77 - HN    PHE   45   7.54 +/- 1.25   3.664% *  2.0840% (0.99   1.0   0.43  11.00) =   0.086%
          HA    ILE  103 - HN    PHE   45  13.05 +/- 1.05   0.521% *  0.0921% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    PHE   45  14.70 +/- 1.85   0.412% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  12.49 +/- 1.50   0.642% *  0.0590% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45  10.91 +/- 3.32   2.205% *  0.0170% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  13.70 +/- 1.43   0.510% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  15.50 +/- 2.12   0.338% *  0.0436% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.21 +/- 0.57   0.182% *  0.0512% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.60 +/- 2.92   0.047% *  0.0971% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  23.24 +/- 3.53   0.103% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.65 +/- 2.12   0.055% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.222, support = 4.39, residual support = 12.4:
          QD    PHE   45 - HN    THR   46   4.45 +/- 0.39  90.287% * 91.2889% (0.22   4.39  12.43) =  99.799%  kept
          HE22  GLN   17 - HN    THR   46  21.10 +/- 5.60   1.734% *  4.4417% (0.61   0.08   0.02) =   0.093%
          HE22  GLN  116 - HN    THR   46  19.28 +/- 2.98   2.329% *  1.8008% (0.97   0.02   0.02) =   0.051%
          HD2   HIS  122 - HN    THR   46  17.08 +/- 2.25   2.000% *  1.7652% (0.95   0.02   0.02) =   0.043%
          HE22  GLN   90 - HN    THR   46  14.16 +/- 1.46   3.022% *  0.2879% (0.15   0.02   0.02) =   0.011%
          HE22  GLN   32 - HN    THR   46  24.98 +/- 3.15   0.627% *  0.4154% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 0 structures by 0.08 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.72, residual support = 3.74:
          HA    ASP-  76 - HN    THR   46   4.36 +/- 2.01  89.923% * 98.8055% (0.53   2.73   3.74) =  99.865%  kept
          HA    LEU   67 - HN    THR   46  15.28 +/- 2.73  10.077% *  1.1945% (0.87   0.02   0.02) =   0.135%  kept
    Distance limit 4.10 A violated in 9 structures by 1.07 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   2.27 +/- 0.07  95.660% * 99.9017% (0.76  10.0   3.96  12.43) =  99.998%  kept
          HA    ASP-  78 - HN    THR   46   7.81 +/- 1.41   3.569% *  0.0491% (0.38   1.0   0.02   0.02) =   0.002%
          HA    VAL   41 - HN    THR   46  14.43 +/- 0.59   0.382% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  15.95 +/- 4.36   0.389% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.3:
      O   HA    THR   46 - HN    THR   46   2.91 +/- 0.05  92.466% * 99.4016% (0.57  10.0   3.25  34.27) =  99.993%  kept
          HA    VAL   42 - HN    THR   46  11.76 +/- 0.37   1.413% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    GLN   90 - HN    THR   46   9.76 +/- 1.65   3.319% *  0.0599% (0.34   1.0   0.02   0.02) =   0.002%
          HA    PHE   55 - HN    THR   46  14.17 +/- 1.49   0.891% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    THR   46  13.61 +/- 3.09   1.275% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  19.75 +/- 6.00   0.483% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  24.98 +/- 1.49   0.154% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 3.48, residual support = 11.6:
          HN    THR   77 - HN    THR   46   3.65 +/- 1.37 100.000% *100.0000% (1.00   3.48  11.56) = 100.000%  kept
    Distance limit 4.76 A violated in 1 structures by 0.18 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.3, residual support = 10.8:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.01  58.096% * 96.8065% (0.90  10.0   2.33  10.83) =  98.182%  kept
          HA    CYS   50 - HN    ALA   47   4.33 +/- 1.68  35.294% *  2.9393% (0.73   1.0   0.75   6.92) =   1.811%  kept
          HA    TRP   49 - HN    ALA   47   6.76 +/- 0.43   4.901% *  0.0568% (0.53   1.0   0.02  16.17) =   0.005%
          HA    VAL  108 - HN    ALA   47  14.02 +/- 2.73   0.772% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    ALA   47  15.46 +/- 3.07   0.597% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  18.25 +/- 3.62   0.339% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 11.7:
      O   HA    THR   46 - HN    ALA   47   2.44 +/- 0.17  95.053% * 99.4016% (0.57  10.0   3.07  11.68) =  99.996%  kept
          HA    GLN   90 - HN    ALA   47   9.93 +/- 2.08   2.243% *  0.0599% (0.34   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    ALA   47  11.87 +/- 1.38   0.978% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ALA   47  15.24 +/- 0.51   0.404% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  13.27 +/- 3.71   1.032% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  21.62 +/- 5.66   0.227% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.58 +/- 1.57   0.063% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 4.11, residual support = 14.2:
        T HN    TRP   49 - HN    SER   48   2.67 +/- 0.14  79.548% * 93.5701% (0.84 10.00   4.14  14.44) =  98.383%  kept
          HN    CYS   50 - HN    SER   48   4.70 +/- 1.04  19.222% *  6.3617% (0.61  1.00   1.87   0.02) =   1.616%  kept
          HN    VAL   83 - HN    SER   48  13.35 +/- 2.33   1.003% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  21.34 +/- 3.77   0.227% *  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 = 2.22, residual support = 6.32:
      O   HA    ALA   47 - HN    SER   48   2.32 +/- 0.08  86.237% * 88.2071% (0.90  10.0   2.22   6.27) =  98.954%  kept
          HA    TRP   49 - HN    SER   48   5.20 +/- 0.16   7.838% *  8.0761% (0.53   1.0   3.12  14.44) =   0.823%  kept
          HA    CYS   50 - HN    SER   48   6.38 +/- 0.85   4.819% *  3.5369% (0.73   1.0   0.99   0.02) =   0.222%  kept
          HA    VAL  108 - HN    SER   48  16.72 +/- 3.19   0.454% *  0.0788% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  18.02 +/- 3.80   0.401% *  0.0676% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  18.99 +/- 4.90   0.253% *  0.0335% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.88, residual support = 85.6:
          HD1   TRP   49 - HN    TRP   49   2.42 +/- 0.81  92.341% * 98.2814% (0.92   4.88  85.57) =  99.977%  kept
          QE    PHE   95 - HN    TRP   49  11.80 +/- 2.37   2.945% *  0.2824% (0.65   0.02   0.02) =   0.009%
          HN    LEU   67 - HN    TRP   49  18.82 +/- 4.60   1.539% *  0.4279% (0.98   0.02   0.02) =   0.007%
          HD2   HIS   22 - HN    TRP   49  20.87 +/- 5.39   0.581% *  0.3495% (0.80   0.02   0.02) =   0.002%
          HN    THR   23 - HN    TRP   49  19.84 +/- 4.69   0.629% *  0.2998% (0.69   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    TRP   49  12.21 +/- 1.21   1.407% *  0.1088% (0.25   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    TRP   49  19.88 +/- 3.36   0.463% *  0.0864% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  31.04 +/- 2.43   0.094% *  0.1638% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.03 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   2.67 +/- 0.14 100.000% *100.0000% (0.84 10.00   4.14  14.44) = 100.000%  kept
    Distance limit 3.77 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 = 0.945, support = 2.18, residual support = 6.87:
      O   HA    CYS   50 - HN    CYS   50   2.42 +/- 0.28  61.178% * 51.7167% (0.98  10.0   1.98   7.75) =  69.613%  kept
      O   HA    TRP   49 - HN    CYS   50   3.32 +/- 0.35  29.468% * 46.3351% (0.87  10.0   2.65   4.82) =  30.042%  kept
          HA    ALA   47 - HN    CYS   50   5.03 +/- 1.19   8.599% *  1.8179% (0.57   1.0   1.20   6.92) =   0.344%  kept
          HA1   GLY  109 - HN    CYS   50  17.59 +/- 3.62   0.260% *  0.0516% (0.97   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  20.69 +/- 3.96   0.211% *  0.0367% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  16.87 +/- 3.07   0.239% *  0.0239% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.02 +/- 1.20   0.045% *  0.0182% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.859, support = 4.52, residual support = 79.3:
      O   HA    TRP   49 - HN    TRP   49   2.90 +/- 0.05  56.574% * 79.1829% (0.87  10.0   4.66  85.57) =  91.665%  kept
          HA    ALA   47 - HN    TRP   49   3.77 +/- 0.24  26.550% *  7.9555% (0.57   1.0   3.08  16.17) =   4.322%  kept
          HA    CYS   50 - HN    TRP   49   4.63 +/- 0.51  15.510% * 12.6387% (0.98   1.0   2.83   4.82) =   4.011%  kept
          HA1   GLY  109 - HN    TRP   49  18.20 +/- 4.06   0.536% *  0.0881% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    TRP   49  17.35 +/- 3.43   0.503% *  0.0409% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  20.45 +/- 4.17   0.253% *  0.0627% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  26.90 +/- 1.63   0.074% *  0.0311% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.31, residual support = 85.6:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  91.707% * 99.6863% (0.92  10.0   2.31  85.57) =  99.997%  kept
          QE    PHE   95 - HE1   TRP   49  11.19 +/- 2.82   7.073% *  0.0240% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HE1   TRP   49  19.87 +/- 4.66   0.554% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  21.64 +/- 4.63   0.286% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  20.29 +/- 4.10   0.317% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.53 +/- 2.45   0.063% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 1.37, residual support = 1.35:
      O   HA    CYS   50 - HN    GLY   51   2.87 +/- 0.30  74.411% * 95.0445% (0.98  10.0   1.38   1.37) =  98.854%  kept
          HA    TRP   49 - HN    GLY   51   5.49 +/- 1.04  17.945% *  4.5327% (0.87   1.0   0.74   0.02) =   1.137%  kept
          HA    ALA   47 - HN    GLY   51   7.38 +/- 1.48   6.293% *  0.0796% (0.57   1.0   0.02   0.02) =   0.007%
          HA1   GLY  109 - HN    GLY   51  17.14 +/- 3.43   0.460% *  0.1357% (0.97   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY   51  21.64 +/- 3.31   0.336% *  0.0966% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  16.73 +/- 3.20   0.465% *  0.0630% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  27.64 +/- 1.63   0.092% *  0.0479% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.73, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.61 +/- 0.32  94.525% * 99.5416% (0.92  10.0   2.73  10.17) =  99.997%  kept
          HA    ALA   57 - HN    GLY   51  10.39 +/- 1.19   1.684% *  0.1069% (0.99   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    GLY   51  16.31 +/- 2.57   0.480% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  11.96 +/- 1.92   1.176% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  13.36 +/- 1.64   1.097% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.20 +/- 3.02   0.446% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  27.96 +/- 2.91   0.112% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  20.90 +/- 2.68   0.274% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.07 +/- 1.78   0.154% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  34.97 +/- 4.53   0.053% *  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 = 6.16, residual support = 31.6:
        T HN    ARG+  54 - HN    CYS   53   2.69 +/- 0.13  98.111% * 99.1159% (0.98 10.00   6.17  31.61) =  99.987%  kept
        T HN    ASP-  62 - HN    CYS   53  11.68 +/- 1.82   1.650% *  0.7343% (0.73 10.00   0.02   0.02) =   0.012%
          HN    LEU   31 - HN    CYS   53  24.30 +/- 2.23   0.155% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.22 +/- 2.35   0.084% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.16, residual support = 31.6:
        T HN    CYS   53 - HN    ARG+  54   2.69 +/- 0.13  96.638% * 99.6035% (0.85 10.00   6.17  31.61) =  99.996%  kept
        T HN    CYS   53 - HN    ASP-  62  11.68 +/- 1.82   1.626% *  0.1864% (0.16 10.00   0.02   0.02) =   0.003%
          HN    LEU   80 - HN    ARG+  54  17.74 +/- 2.50   0.390% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.77 +/- 3.09   0.125% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  24.89 +/- 3.42   0.206% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  18.70 +/- 2.08   0.342% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.56 +/- 2.52   0.369% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  20.46 +/- 2.62   0.305% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.518, support = 0.02, residual support = 0.02:
          HN    TRP   87 - HN    ARG+  54  19.49 +/- 2.28  13.701% * 29.7440% (0.69   0.02   0.02) =  32.177%  kept
          HD21  ASN   69 - HN    ARG+  54  22.52 +/- 5.03  10.780% * 31.3037% (0.72   0.02   0.02) =  26.645%  kept
          HD21  ASN   69 - HN    ASP-  62  14.01 +/- 2.47  32.388% *  5.8573% (0.14   0.02   0.02) =  14.979%  kept
          HN    GLN   17 - HN    ARG+  54  24.11 +/- 4.26   7.117% * 23.1904% (0.54   0.02   0.02) =  13.032%  kept
          HN    GLN   17 - HN    ASP-  62  15.96 +/- 3.89  27.467% *  4.3392% (0.10   0.02   0.02) =   9.411%  kept
          HN    TRP   87 - HN    ASP-  62  21.92 +/- 1.80   8.546% *  5.5654% (0.13   0.02   0.02) =   3.756%  kept
    Distance limit 3.92 A violated in 20 structures by 8.01 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 = 21.7:
          HN    PHE   55 - HN    ILE   56   2.55 +/- 0.21  92.155% * 94.2608% (0.95   3.91  21.70) =  99.826%  kept
          HN    ASP-  62 - HN    ILE   56   8.94 +/- 1.20   2.961% *  5.0512% (0.31   0.64   0.02) =   0.172%  kept
          HN    ALA   88 - HN    ILE   56  20.45 +/- 2.68   0.220% *  0.4416% (0.87   0.02   0.02) =   0.001%
          HN    ALA   88 - HZ2   TRP   87   8.50 +/- 0.32   2.682% *  0.0192% (0.04   0.02   5.11) =   0.001%
          HN    LEU   31 - HN    ILE   56  23.53 +/- 3.14   0.167% *  0.1911% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  17.98 +/- 9.06   1.393% *  0.0083% (0.02   0.02   1.70) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.59 +/- 3.23   0.192% *  0.0209% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.78 +/- 3.15   0.231% *  0.0068% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 5.0, residual support = 31.4:
          HN    ALA   57 - HN    ILE   56   3.18 +/- 0.60  82.368% * 92.3501% (0.87   5.05  31.76) =  98.770%  kept
          HE21  GLN  116 - HN    ILE   56  11.28 +/- 3.81  13.367% *  7.0445% (0.80   0.42   0.02) =   1.223%  kept
          HE21  GLN   90 - HN    ILE   56  19.38 +/- 3.06   0.732% *  0.3778% (0.90   0.02   0.02) =   0.004%
          HN    ALA  120 - HN    ILE   56  13.97 +/- 2.09   1.375% *  0.1732% (0.41   0.02   0.02) =   0.003%
          HE21  GLN   90 - HZ2   TRP   87  15.50 +/- 1.16   0.940% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  21.37 +/- 3.47   0.564% *  0.0159% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  24.31 +/- 4.58   0.293% *  0.0146% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  23.28 +/- 5.14   0.360% *  0.0075% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.19 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.158, support = 4.99, residual support = 123.5:
      O   HA    ILE   56 - HN    ILE   56   2.74 +/- 0.20  86.194% * 87.7948% (0.15  10.0   5.01 124.21) =  99.457%  kept
          HA    PRO   58 - HN    ILE   56   7.62 +/- 0.45   4.390% *  8.9489% (0.95   1.0   0.33   0.02) =   0.516%  kept
          HA    THR   46 - HN    ILE   56   9.34 +/- 1.97   3.170% *  0.4556% (0.80   1.0   0.02   0.02) =   0.019%
          HA    GLN   17 - HN    ILE   56  21.07 +/- 4.69   0.244% *  0.4132% (0.73   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ILE   56  21.26 +/- 2.46   0.212% *  0.4753% (0.84   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  17.48 +/- 3.36   0.685% *  0.1267% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ILE   56  25.16 +/- 3.92   0.130% *  0.5491% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  15.97 +/- 1.29   0.464% *  0.1126% (0.20   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ILE   56  29.27 +/- 4.78   0.094% *  0.5491% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  29.00 +/- 2.82   0.080% *  0.4132% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  18.30 +/- 6.27   0.679% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.93 +/- 1.87   0.643% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  13.72 +/- 5.40   1.795% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  23.03 +/- 3.24   0.184% *  0.0234% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  27.21 +/- 6.89   0.156% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  24.80 +/- 6.79   0.205% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  26.53 +/- 7.76   0.177% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  30.69 +/- 6.44   0.097% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  21.31 +/- 3.75   0.254% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  26.87 +/- 6.00   0.145% *  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 = 5.05, residual support = 31.7:
          HN    ILE   56 - HN    ALA   57   3.18 +/- 0.60  85.806% * 98.5335% (0.98   5.05  31.76) =  99.943%  kept
          HN    LEU   63 - HN    ALA   57   7.98 +/- 1.13   8.703% *  0.3671% (0.92   0.02   0.02) =   0.038%
          HN    LYS+ 111 - HN    ALA   57  12.35 +/- 2.95   3.499% *  0.3567% (0.90   0.02   0.02) =   0.015%
          HN    ALA   84 - HN    ALA   57  20.51 +/- 2.86   0.528% *  0.3567% (0.90   0.02   0.02) =   0.002%
          HE21  GLN   32 - HN    ALA   57  28.67 +/- 4.99   0.370% *  0.1936% (0.49   0.02   0.02) =   0.001%
          HD21  ASN   28 - HN    ALA   57  22.14 +/- 3.58   0.517% *  0.1228% (0.31   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   57  21.37 +/- 3.47   0.577% *  0.0697% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.17 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.34, residual support = 20.2:
        T HN    PHE   60 - HN    PHE   59   2.77 +/- 0.26  89.206% * 95.9209% (0.47 10.00   4.34  20.22) =  99.905%  kept
        T HN    THR  118 - HN    PHE   59   9.09 +/- 0.87   3.028% *  2.5013% (0.29 10.00   0.08  11.82) =   0.088%
        T HN    GLU-  15 - HN    PHE   59  22.40 +/- 3.17   0.205% *  1.5502% (0.76 10.00   0.02   0.02) =   0.004%
          HN    GLN  116 - HN    PHE   59   7.43 +/- 1.45   7.562% *  0.0277% (0.14  1.00   0.02   0.44) =   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 = 0.263, support = 4.75, residual support = 56.3:
      O   HA    PHE   59 - HN    PHE   59   2.80 +/- 0.06  67.569% * 86.5265% (0.24  10.0   4.97  58.35) =  94.601%  kept
          HA    ILE   56 - HN    PHE   59   4.44 +/- 1.10  26.790% * 12.4055% (0.69   1.0   0.99  20.23) =   5.378%  kept
          HA    ASP- 113 - HN    PHE   59   9.61 +/- 2.35   3.742% *  0.2514% (0.69   1.0   0.02   0.02) =   0.015%
          HA    LEU  123 - HN    PHE   59  12.54 +/- 1.97   0.999% *  0.2245% (0.62   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HN    PHE   59  19.22 +/- 3.37   0.343% *  0.2779% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    PHE   59  23.55 +/- 2.98   0.156% *  0.2588% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  17.39 +/- 2.54   0.400% *  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   2.57 +/- 0.24  95.160% * 99.2309% (0.76  10.0   4.44  24.10) =  99.995%  kept
          HA1   GLY   51 - HN    ALA   57  10.44 +/- 0.87   1.760% *  0.1273% (0.98   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   57  11.01 +/- 1.57   1.522% *  0.0683% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   57  15.68 +/- 3.22   0.682% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   57  20.07 +/- 3.27   0.277% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  22.53 +/- 2.45   0.156% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.24 +/- 1.93   0.208% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  23.05 +/- 2.62   0.172% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.90 +/- 4.98   0.063% *  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 = 0.974, support = 4.61, residual support = 31.6:
      O   HA    ILE   56 - HN    ALA   57   3.12 +/- 0.43  73.398% * 90.7844% (0.99  10.0   4.58  31.76) =  97.390%  kept
          HA    PRO   58 - HN    ALA   57   4.91 +/- 0.29  20.252% *  8.7993% (0.34   1.0   5.63  25.12) =   2.605%  kept
          HA    ASP- 113 - HN    ALA   57  11.08 +/- 2.37   3.525% *  0.0519% (0.57   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    ALA   57  15.55 +/- 2.72   1.103% *  0.0914% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ALA   57  21.54 +/- 3.14   0.412% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  25.69 +/- 3.38   0.261% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  19.73 +/- 2.62   0.513% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  23.24 +/- 3.93   0.302% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  27.38 +/- 4.79   0.234% *  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 = 5.28, residual support = 41.4:
        T HN    PHE   60 - HN    ALA   61   2.78 +/- 0.24  96.315% * 97.7864% (0.61 10.00   5.28  41.41) =  99.984%  kept
        T HN    THR  118 - HN    ALA   61  11.87 +/- 1.28   1.422% *  0.6051% (0.38 10.00   0.02   0.02) =   0.009%
        T HN    GLU-  15 - HN    ALA   61  19.57 +/- 3.18   0.359% *  1.5803% (0.98 10.00   0.02   0.02) =   0.006%
          HN    GLN  116 - HN    ALA   61  10.93 +/- 1.60   1.905% *  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 = 0.551, support = 4.25, residual support = 30.6:
          QD    PHE   60 - HN    ALA   61   3.35 +/- 1.01  54.031% * 49.4611% (0.57   4.77  41.41) =  73.292%  kept
          HN    PHE   59 - HN    ALA   61   4.60 +/- 0.44  30.311% * 23.9864% (0.41   3.18   0.74) =  19.940%  kept
          QE    PHE   59 - HN    ALA   61   7.00 +/- 0.87   9.372% * 26.1018% (0.80   1.78   0.74) =   6.709%  kept
          HN    LYS+  66 - HN    ALA   61   8.01 +/- 0.97   5.872% *  0.3593% (0.98   0.02   0.02) =   0.058%
          HN    LYS+  81 - HN    ALA   61  20.24 +/- 2.97   0.414% *  0.0914% (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 = 0.925, support = 0.94, residual support = 0.882:
          HA    PRO   58 - HN    ALA   61   4.27 +/- 1.02  55.459% * 64.1336% (0.97   0.98   0.89) =  92.359%  kept
          HA    THR   46 - HN    ALA   61  10.26 +/- 3.13   8.721% * 20.8557% (0.45   0.68   0.17) =   4.723%  kept
          HA    ILE   56 - HN    ALA   61   7.64 +/- 0.97  15.604% *  5.6936% (0.41   0.20   2.20) =   2.307%  kept
          HA    GLN   17 - HN    ALA   61  14.92 +/- 4.73   2.365% *  3.3089% (0.38   0.13   0.02) =   0.203%  kept
          HA    LEU   40 - HN    ALA   61  15.36 +/- 3.48   5.657% *  1.3599% (1.00   0.02   0.02) =   0.200%  kept
          HA    LEU  123 - HN    ALA   61  14.10 +/- 2.16   4.466% *  0.7155% (0.53   0.02   0.02) =   0.083%
          HA    GLU-  15 - HN    ALA   61  18.72 +/- 3.31   0.995% *  1.2864% (0.95   0.02   0.02) =   0.033%
          HA    LYS+  99 - HN    ALA   61  17.70 +/- 3.93   3.515% *  0.3391% (0.25   0.02   0.02) =   0.031%
          HA    SER   13 - HN    ALA   61  22.83 +/- 4.07   0.911% *  1.2864% (0.95   0.02   0.02) =   0.030%
          HA    ASN   35 - HN    ALA   61  21.29 +/- 3.43   1.396% *  0.5104% (0.38   0.02   0.02) =   0.018%
          HA    SER   37 - HN    ALA   61  22.40 +/- 3.20   0.912% *  0.5104% (0.38   0.02   0.02) =   0.012%
    Distance limit 4.04 A violated in 1 structures by 0.44 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.493, support = 1.62, residual support = 1.13:
          HA    ALA   57 - HN    ALA   61   4.99 +/- 1.34  61.209% * 48.9064% (0.41   1.83   1.35) =  81.687%  kept
          HA    ASP-  44 - HN    ALA   61   8.72 +/- 1.83  15.293% * 42.3728% (0.87   0.75   0.19) =  17.683%  kept
          HA    ILE  103 - HN    ALA   61  17.36 +/- 2.93   4.874% *  1.2768% (0.98   0.02   0.02) =   0.170%  kept
          HA    THR   39 - HN    ALA   61  17.85 +/- 3.19   4.652% *  1.0881% (0.84   0.02   0.02) =   0.138%  kept
          HA1   GLY   51 - HN    ALA   61  13.90 +/- 1.11   4.169% *  0.9459% (0.73   0.02   0.02) =   0.108%  kept
          HB    THR   77 - HN    ALA   61  15.05 +/- 2.93   2.639% *  1.2025% (0.92   0.02   0.02) =   0.087%
          HA    GLU-  79 - HN    ALA   61  18.17 +/- 3.30   1.519% *  1.1682% (0.90   0.02   0.02) =   0.048%
          HA    MET   11 - HN    ALA   61  27.27 +/- 4.14   0.991% *  1.0881% (0.84   0.02   0.02) =   0.029%
          HA    SER   85 - HN    ALA   61  23.08 +/- 1.92   0.749% *  1.2025% (0.92   0.02   0.02) =   0.025%
          HA    ALA   12 - HN    ALA   61  25.09 +/- 3.94   1.379% *  0.2900% (0.22   0.02   0.02) =   0.011%
          HA    GLU-  14 - HN    ALA   61  20.55 +/- 3.61   1.820% *  0.2010% (0.15   0.02   0.02) =   0.010%
          HA    ASP-  86 - HN    ALA   61  23.99 +/- 2.25   0.708% *  0.2578% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.57 A violated in 6 structures by 0.69 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   2.66 +/- 0.13  94.428% * 99.7221% (0.98 10.00   5.85  42.35) =  99.996%  kept
          HN    ARG+  54 - HN    LEU   63  11.89 +/- 2.69   2.779% *  0.0939% (0.92  1.00   0.02   0.02) =   0.003%
          HN    PHE   55 - HN    LEU   63  11.70 +/- 2.16   1.920% *  0.0382% (0.38  1.00   0.02   0.02) =   0.001%
          HN    LEU   31 - HN    LEU   63  17.36 +/- 2.50   0.602% *  0.0962% (0.95  1.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    LEU   63  19.69 +/- 2.05   0.271% *  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 = 6.88, residual support = 54.9:
        T HN    ALA   64 - HN    LEU   63   2.80 +/- 0.23 100.000% *100.0000% (0.97 10.00   6.88  54.89) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.8, residual support = 29.3:
        T HN    LYS+  65 - HN    ALA   64   2.64 +/- 0.19 100.000% *100.0000% (0.97 10.00   4.80  29.27) = 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 = 6.88, residual support = 54.9:
          HN    LEU   63 - HN    ALA   64   2.80 +/- 0.23  96.196% * 99.0128% (0.99   6.88  54.89) =  99.992%  kept
          HN    ILE   56 - HN    ALA   64  11.82 +/- 1.35   1.445% *  0.2747% (0.95   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    ALA   64  16.80 +/- 2.90   0.760% *  0.1761% (0.61   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ALA   64  16.68 +/- 1.89   0.556% *  0.1761% (0.61   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  19.40 +/- 1.49   0.333% *  0.1761% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  19.21 +/- 3.66   0.483% *  0.1194% (0.41   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  22.06 +/- 2.33   0.227% *  0.0647% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.8, residual support = 29.3:
        T HN    ALA   64 - HN    LYS+  65   2.64 +/- 0.19 100.000% *100.0000% (0.67 10.00   4.80  29.27) = 100.000%  kept
    Distance limit 3.50 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 = 6.36, residual support = 30.3:
          HN    LYS+  66 - HN    LYS+  65   2.67 +/- 0.15  84.966% * 93.2595% (0.68   6.41  30.49) =  99.232%  kept
          QD    PHE   60 - HN    LYS+  65   6.94 +/- 1.26   9.565% *  6.3064% (0.39   0.75   0.02) =   0.755%  kept
          QE    PHE   59 - HN    LYS+  65   8.52 +/- 0.83   2.948% *  0.2379% (0.55   0.02   0.02) =   0.009%
          HN    PHE   59 - HN    LYS+  65   9.25 +/- 0.99   2.289% *  0.1221% (0.28   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    LYS+  65  20.01 +/- 2.03   0.232% *  0.0741% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.666, support = 1.09, residual support = 4.13:
          HA    ASP-  62 - HN    LYS+  65   3.61 +/- 0.37  97.093% * 96.5176% (0.67   1.09   4.13) =  99.957%  kept
          HB    THR   26 - HN    LYS+  65  17.65 +/- 2.27   1.252% *  1.8239% (0.68   0.02   0.02) =   0.024%
          HA    SER  117 - HN    LYS+  65  16.44 +/- 1.50   1.225% *  1.3363% (0.50   0.02   0.02) =   0.017%
          HA    SER   82 - HN    LYS+  65  23.42 +/- 2.02   0.430% *  0.3223% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.41, residual support = 30.5:
        T HN    LYS+  65 - HN    LYS+  66   2.67 +/- 0.15 100.000% *100.0000% (0.97 10.00   6.41  30.49) = 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 = 5.18, residual support = 118.4:
      O   HA    LYS+  66 - HN    LYS+  66   2.90 +/- 0.03  99.454% * 99.9389% (0.97  10.0   5.18 118.37) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.38 +/- 2.00   0.237% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  21.65 +/- 2.84   0.309% *  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 = 0.0782, support = 2.96, residual support = 50.2:
          HD22  ASN   28 - HE3   TRP   27   5.21 +/- 0.24  93.449% * 94.9231% (0.08   2.97  50.38) =  99.626%  kept
          HD22  ASN   28 - HN    LEU   67  17.75 +/- 3.36   6.551% *  5.0769% (0.61   0.02   0.02) =   0.374%  kept
    Distance limit 4.53 A violated in 0 structures by 0.68 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.09, residual support = 60.3:
      O   HA    LEU   67 - HN    LEU   67   2.58 +/- 0.27  96.031% * 99.9623% (1.00  10.0   6.09  60.35) = 100.000%  kept
          HA    ASP-  76 - HN    LEU   67  13.83 +/- 2.49   0.983% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  13.69 +/- 2.61   1.195% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  12.23 +/- 4.07   1.791% *  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 = 4.91, residual support = 14.3:
      O   HA    LYS+  66 - HN    LEU   67   3.49 +/- 0.17  94.173% * 99.9186% (0.97  10.0   4.91  14.35) =  99.999%  kept
          HA    GLU-  36 - HN    LEU   67  20.84 +/- 2.19   0.541% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  16.10 +/- 2.33   1.289% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  21.67 +/- 2.68   0.488% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  16.85 +/- 6.33   2.288% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.23 +/- 1.37   1.222% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 24.7:
        T HN    VAL   70 - HN    ASN   69   2.45 +/- 0.61  99.175% * 99.9644% (0.87 10.00   5.26  24.71) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.63 +/- 2.67   0.825% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 5.35, residual support = 59.1:
      O   HA    ASN   69 - HN    ASN   69   2.73 +/- 0.21  98.393% * 99.8231% (0.76  10.0   5.35  59.08) =  99.999%  kept
          HA    HIS   22 - HN    ASN   69  18.94 +/- 4.09   0.592% *  0.1133% (0.87   1.0   0.02   0.02) =   0.001%
          HA    VAL   43 - HN    ASN   69  12.89 +/- 0.85   1.014% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.09, residual support = 59.1:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.342% * 99.9103% (0.52  10.0 10.00   3.09  59.08) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.58 +/- 3.62   0.601% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  25.19 +/- 4.56   0.057% *  0.0241% (0.12   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 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.09, residual support = 59.1:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.454% * 99.7566% (0.52  10.0   3.09  59.08) =  99.999%  kept
          HN    GLN   17 - HD22  ASN   69  13.49 +/- 5.77   0.477% *  0.1078% (0.56   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HD22  ASN   69  27.08 +/- 3.51   0.031% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  26.12 +/- 4.65   0.038% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.39, residual support = 49.6:
          QE    PHE   72 - HN    VAL   70   4.43 +/- 0.70  97.037% * 98.2008% (0.45   2.39  49.66) =  99.944%  kept
          HD22  ASN   28 - HN    VAL   70  16.56 +/- 2.92   2.963% *  1.7992% (0.98   0.02   0.02) =   0.056%
    Distance limit 4.52 A violated in 0 structures by 0.20 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 24.7:
        T HN    ASN   69 - HN    VAL   70   2.45 +/- 0.61  98.590% * 99.9392% (0.87 10.00   5.26  24.71) = 100.000%  kept
          HN    ASN   28 - HN    VAL   70  16.85 +/- 2.71   0.780% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLY  101 - HN    VAL   70  16.01 +/- 3.22   0.631% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.03, residual support = 1.03:
          HA    PRO   68 - HN    VAL   70   4.31 +/- 0.47 100.000% *100.0000% (0.99   1.03   1.03) = 100.000%  kept
    Distance limit 4.35 A violated in 0 structures by 0.17 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 4.01, residual support = 79.9:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.02  85.731% * 99.2525% (0.84  10.0   4.01  79.92) =  99.985%  kept
          HA    VAL   18 - HN    VAL   70  10.53 +/- 6.55   7.539% *  0.1147% (0.97   1.0   0.02   0.02) =   0.010%
          HA    LYS+  33 - HN    VAL   70  15.97 +/- 2.55   0.798% *  0.1186% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   70  15.89 +/- 3.03   0.812% *  0.0993% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    VAL   70  11.64 +/- 2.98   3.037% *  0.0235% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   70  17.74 +/- 2.62   0.560% *  0.1165% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   70  20.81 +/- 3.32   0.390% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  16.58 +/- 2.19   0.584% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  24.33 +/- 2.84   0.171% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  26.38 +/- 3.12   0.136% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  21.94 +/- 2.52   0.242% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 140.5:
      O   HA    LEU   71 - HN    LEU   71   2.89 +/- 0.05  95.163% * 99.9402% (1.00  10.0   6.62 140.54) =  99.999%  kept
          HA    VAL   43 - HN    LEU   71   9.56 +/- 1.25   3.186% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    LEU   71  13.07 +/- 4.17   1.651% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.36 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 = 5.9, residual support = 34.7:
      O   HA    VAL   70 - HN    LEU   71   2.23 +/- 0.06  84.935% * 94.8869% (1.00  10.0   5.91  34.76) =  99.766%  kept
          HA    VAL   18 - HN    LEU   71  10.08 +/- 6.46   3.904% *  4.7208% (0.69   1.0   1.45   0.02) =   0.228%  kept
          HB2   SER   37 - HN    LEU   71   8.79 +/- 2.73   2.706% *  0.0462% (0.49   1.0   0.02   0.02) =   0.002%
          HA1   GLY   16 - HN    LEU   71  10.97 +/- 7.65   5.659% *  0.0188% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  12.76 +/- 2.47   1.282% *  0.0823% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   71  16.88 +/- 3.83   0.883% *  0.0949% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   71  14.84 +/- 2.13   0.426% *  0.0689% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  23.22 +/- 3.01   0.091% *  0.0576% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  21.40 +/- 2.44   0.115% *  0.0237% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.21, residual support = 2.8:
          HA    VAL   41 - HN    LEU   71   5.11 +/- 2.56  76.541% * 98.7482% (1.00   2.22   2.81) =  99.786%  kept
          HA    HIS  122 - HN    LEU   71  13.57 +/- 5.24  18.209% *  0.7461% (0.84   0.02   0.02) =   0.179%  kept
          HA    PHE   45 - HN    LEU   71  14.93 +/- 0.80   5.250% *  0.5057% (0.57   0.02   0.02) =   0.035%
    Distance limit 4.09 A violated in 7 structures by 1.07 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 2.17, residual support = 1.23:
          HN    VAL   42 - HN    LEU   71   5.89 +/- 1.93  49.594% * 34.0797% (0.61   2.32   1.33) =  50.760%  kept
          HN    LEU   73 - HN    LEU   71   7.32 +/- 0.34  23.597% * 39.7675% (0.61   2.70   1.64) =  28.182%  kept
          HN    ILE   19 - HN    LEU   71   9.92 +/- 5.77  26.809% * 26.1529% (0.98   1.10   0.45) =  21.057%  kept
    Distance limit 4.62 A violated in 1 structures by 0.64 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.449, support = 5.6, residual support = 90.3:
          QD    PHE   72 - HN    PHE   72   2.47 +/- 0.60  95.983% * 89.6642% (0.45   5.62  90.50) =  99.727%  kept
          HD22  ASN   69 - HN    PHE   72   9.86 +/- 0.62   2.310% *  9.8752% (0.73   0.38   0.02) =   0.264%  kept
          QE    PHE   45 - HN    PHE   72  11.11 +/- 1.12   1.708% *  0.4606% (0.65   0.02   0.02) =   0.009%
    Distance limit 3.84 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 = 5.03, residual support = 90.5:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.03  90.50) = 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 = 5.68, residual support = 20.0:
      O   HA    LEU   71 - HN    PHE   72   2.35 +/- 0.16  92.747% * 99.9402% (1.00  10.0   5.68  20.04) =  99.998%  kept
          HA    VAL   43 - HN    PHE   72   7.20 +/- 1.17   4.797% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    PHE   72  10.13 +/- 5.13   2.456% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.611, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  14.94 +/- 2.34  21.656% * 29.8815% (0.73   0.02   0.02) =  38.281%  kept
          HA    ASP-  78 - HN    PHE   72  18.21 +/- 1.43  10.895% * 39.7133% (0.97   0.02   0.02) =  25.595%  kept
          HA    PHE   45 - HN    PHE   72  12.08 +/- 0.83  36.118% *  7.2068% (0.18   0.02   0.02) =  15.398%  kept
          HA    LEU   80 - HN    PHE   72  17.55 +/- 2.19  12.987% * 14.0368% (0.34   0.02   0.02) =  10.784%  kept
          HB    THR   23 - HN    PHE   72  15.65 +/- 2.24  18.345% *  9.1616% (0.22   0.02   0.02) =   9.942%  kept
    Distance limit 4.49 A violated in 20 structures by 6.32 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.489, support = 0.8, residual support = 1.27:
          QE    PHE   60 - HN    LEU   73   9.19 +/- 3.29  33.977% * 64.0362% (0.49   0.93   1.63) =  74.753%  kept
          HN    LEU   63 - HN    LEU   73  10.54 +/- 1.85  21.014% * 29.4787% (0.41   0.50   0.14) =  21.282%  kept
          HD21  ASN   28 - HN    LEU   73  11.80 +/- 3.02  24.504% *  2.7880% (0.98   0.02   0.89) =   2.347%  kept
          HZ2   TRP   87 - HN    LEU   73  15.89 +/- 5.04  14.981% *  2.8192% (0.99   0.02   0.02) =   1.451%  kept
          HN    ILE   56 - HN    LEU   73  16.70 +/- 3.85   5.524% *  0.8779% (0.31   0.02   0.02) =   0.167%  kept
    Distance limit 4.60 A violated in 14 structures by 2.89 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.48, residual support = 172.2:
      O   HA    LEU   73 - HN    LEU   73   2.86 +/- 0.04 100.000% *100.0000% (0.95  10.0   6.48 172.16) = 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 = 5.55, residual support = 44.3:
      O   HA    PHE   72 - HN    LEU   73   2.58 +/- 0.14 100.000% *100.0000% (0.53  10.0   5.55  44.28) = 100.000%  kept
    Distance limit 3.10 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 = 0.629, support = 2.82, residual support = 4.4:
          HA    VAL   43 - HN    LEU   73   5.22 +/- 0.97  42.214% * 48.6381% (0.53   3.33   6.16) =  61.894%  kept
          HA    LEU   71 - HN    LEU   73   6.27 +/- 0.52  24.803% * 48.1449% (0.84   2.07   1.64) =  35.997%  kept
          HA    ALA   20 - HN    LEU   73   8.91 +/- 5.09  23.283% *  2.9524% (0.14   0.78   0.02) =   2.072%  kept
          HA    HIS   22 - HN    LEU   73  11.18 +/- 3.34   5.907% *  0.1100% (0.20   0.02   0.02) =   0.020%
          HA    ASN   69 - HN    LEU   73  11.69 +/- 0.93   3.793% *  0.1546% (0.28   0.02   0.02) =   0.018%
    Distance limit 4.37 A violated in 1 structures by 0.33 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.127, support = 3.6, residual support = 7.54:
        T HN    CYS   21 - HN    LYS+  74   6.51 +/- 6.45  54.049% * 95.8247% (0.12 10.00   3.63   7.62) =  98.982%  kept
        T HN    ILE  119 - HN    LYS+  74  17.76 +/- 2.98  13.473% *  3.0978% (0.40 10.00   0.02   0.02) =   0.798%  kept
          HN    ILE   89 - HN    LYS+  74  17.71 +/- 2.42  11.961% *  0.4381% (0.57  1.00   0.02   0.02) =   0.100%  kept
          HN    SER   37 - HN    LYS+  74  16.27 +/- 1.21   9.589% *  0.5176% (0.67  1.00   0.02   0.02) =   0.095%
          HN    LYS+  38 - HN    LYS+  74  16.57 +/- 1.26  10.928% *  0.1218% (0.16  1.00   0.02   0.02) =   0.025%
    Distance limit 4.24 A violated in 4 structures by 1.78 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.573, support = 4.33, residual support = 19.4:
        T HN    ILE   19 - HN    LYS+  74   8.65 +/- 7.12  35.685% * 73.1146% (0.54 10.00   3.35   7.99) =  66.107%  kept
          HN    LEU   73 - HN    LYS+  74   4.23 +/- 0.69  49.905% * 26.7807% (0.64  1.00   6.24  41.66) =  33.863%  kept
          HN    VAL   42 - HN    LYS+  74   7.63 +/- 1.58  13.591% *  0.0858% (0.64  1.00   0.02   0.02) =   0.030%
          HN    LYS+ 106 - HN    LYS+  74  17.46 +/- 1.99   0.819% *  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 = 5.72, residual support = 41.7:
      O   HA    LEU   73 - HN    LYS+  74   2.53 +/- 0.20 100.000% *100.0000% (0.68  10.0   5.72  41.66) = 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 = 6.11, residual support = 186.6:
      O   HA    LYS+  74 - HN    LYS+  74   2.88 +/- 0.03  94.763% * 99.4309% (0.20  10.0   6.11 186.65) =  99.994%  kept
          HA    VAL   41 - HN    LYS+  74   8.98 +/- 1.57   4.274% *  0.0708% (0.14   1.0   0.02   0.02) =   0.003%
          HA    MET   92 - HN    LYS+  74  16.25 +/- 1.31   0.567% *  0.3102% (0.61   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    LYS+  74  18.72 +/- 2.22   0.397% *  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 = 0.654, support = 3.12, residual support = 5.03:
          HA    ALA   20 - HN    LYS+  74   6.80 +/- 7.28  63.432% * 84.4485% (0.68   3.33   5.48) =  90.403%  kept
          HA    LEU   71 - HN    LYS+  74   7.72 +/- 1.48  36.568% * 15.5515% (0.37   1.12   0.84) =   9.597%  kept
    Distance limit 3.78 A violated in 2 structures by 0.44 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.27, residual support = 32.1:
      O   HA    LYS+  74 - HN    VAL   75   2.23 +/- 0.06  99.256% * 99.7992% (0.61  10.0   6.27  32.06) =  99.999%  kept
          HA    MET   92 - HN    VAL   75  12.91 +/- 0.92   0.541% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    VAL   75  18.37 +/- 2.31   0.203% *  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   2.89 +/- 0.05  98.937% * 99.5538% (0.22  10.0   3.72  35.72) =  99.995%  kept
          HA    LEU   67 - HN    ASP-  76  14.64 +/- 2.45   1.063% *  0.4462% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 19.4:
      O   HA    VAL  107 - HN    VAL  108   2.19 +/- 0.01  97.255% * 99.5919% (0.65  10.0   3.97  19.39) =  99.998%  kept
          HA    LYS+ 111 - HN    VAL  108   8.36 +/- 0.93   2.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    VAL  108  15.05 +/- 1.93   0.366% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  16.79 +/- 2.43   0.258% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  21.56 +/- 2.27   0.121% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 5.33, residual support = 27.6:
        T HN    ASP-  78 - HN    THR   77   2.67 +/- 0.15  90.597% * 96.7652% (0.98 10.00   5.34  27.66) =  99.670%  kept
          HN    VAL   75 - HN    THR   77   6.14 +/- 0.80   9.022% *  3.2175% (0.61  1.00   1.07   0.75) =   0.330%  kept
          HN    LYS+ 112 - HN    THR   77  17.31 +/- 1.97   0.381% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 5.34, residual support = 27.7:
        T HN    THR   77 - HN    ASP-  78   2.67 +/- 0.15 100.000% *100.0000% (1.00 10.00   5.34  27.66) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.89, residual support = 20.5:
        T HN    GLU-  79 - HN    ASP-  78   2.49 +/- 0.15  98.087% * 99.9158% (0.99 10.00   3.89  20.53) =  99.998%  kept
          HN    THR   94 - HN    ASP-  78  10.02 +/- 1.55   1.913% *  0.0842% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.89, residual support = 20.5:
        T HN    ASP-  78 - HN    GLU-  79   2.49 +/- 0.15  97.318% * 99.4026% (0.56 10.00   3.89  20.53) =  99.983%  kept
          HN    VAL   75 - HN    GLU-  79   8.28 +/- 0.40   2.682% *  0.5974% (0.56  1.00   0.12   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 = 4.43, residual support = 56.3:
      O   HA    GLU-  79 - HN    GLU-  79   2.66 +/- 0.22  86.426% * 94.5748% (0.60  10.0   4.45  56.61) =  99.414%  kept
          HB    THR   77 - HN    GLU-  79   5.68 +/- 0.36   9.698% *  4.9395% (0.37   1.0   1.71   0.02) =   0.583%  kept
          HA    ASP-  44 - HN    GLU-  79  11.36 +/- 1.18   1.219% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.08 +/- 0.60   0.973% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    GLU-  79  15.89 +/- 2.43   0.531% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    GLU-  79  17.29 +/- 4.71   0.563% *  0.0729% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  19.04 +/- 2.82   0.328% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  22.61 +/- 1.70   0.156% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  29.11 +/- 5.94   0.105% *  0.0464% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0824, support = 3.84, residual support = 20.5:
      O   HA    ASP-  78 - HN    GLU-  79   3.58 +/- 0.07  87.668% * 98.7485% (0.08  10.0   3.84  20.53) =  99.903%  kept
          HA    PHE   45 - HN    GLU-  79   7.58 +/- 1.20  11.134% *  0.7232% (0.60   1.0   0.02   0.02) =   0.093%
          HA    VAL   41 - HN    GLU-  79  16.80 +/- 1.27   0.907% *  0.3839% (0.32   1.0   0.02   0.02) =   0.004%
          HA    HIS  122 - HN    GLU-  79  25.09 +/- 2.84   0.291% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 10.7:
      O   HA    ASP-  76 - HN    THR   77   2.31 +/- 0.04  99.536% * 99.8354% (0.53  10.0   4.53  10.65) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  16.11 +/- 2.68   0.464% *  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 = 0.571, support = 1.18, residual support = 3.27:
          HA    ALA   47 - HN    THR   77   6.15 +/- 2.04  54.366% * 88.7815% (0.57   1.20   3.33) =  98.115%  kept
          HA    CYS   50 - HN    THR   77  10.56 +/- 2.14  13.517% *  2.5638% (0.98   0.02   0.02) =   0.704%  kept
          HA    CYS   21 - HN    THR   77  14.90 +/- 5.02  10.653% *  1.7967% (0.69   0.02   0.02) =   0.389%  kept
          HA    TRP   49 - HN    THR   77  11.91 +/- 1.54   8.392% *  2.2689% (0.87   0.02   0.02) =   0.387%  kept
          HA1   GLY  109 - HN    THR   77  17.42 +/- 2.31   3.933% *  2.5243% (0.97   0.02   0.02) =   0.202%  kept
          HA    VAL  108 - HN    THR   77  14.80 +/- 2.32   6.416% *  1.1727% (0.45   0.02   0.02) =   0.153%  kept
          HA    LYS+ 102 - HN    THR   77  19.99 +/- 2.20   2.722% *  0.8922% (0.34   0.02   0.02) =   0.049%
    Distance limit 4.48 A violated in 10 structures by 1.64 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.346, support = 1.06, residual support = 9.7:
          HA    THR   46 - HN    THR   77   5.70 +/- 1.40  58.870% * 42.4143% (0.25   1.20  11.56) =  83.707%  kept
          HA    VAL   42 - HN    THR   77  12.89 +/- 1.15   8.549% * 49.8184% (0.87   0.40   0.18) =  14.277%  kept
          HA    GLN   90 - HN    THR   77   9.24 +/- 1.91  21.496% *  1.9488% (0.69   0.02   0.02) =   1.404%  kept
          HA    PHE   55 - HN    THR   77  16.51 +/- 2.52   3.638% *  2.4610% (0.87   0.02   0.02) =   0.300%  kept
          HA    ALA  110 - HN    THR   77  15.94 +/- 2.75   3.789% *  1.6062% (0.57   0.02   0.02) =   0.204%  kept
          HA    GLN   17 - HN    THR   77  20.53 +/- 5.81   2.658% *  0.8757% (0.31   0.02   0.02) =   0.078%
          HA    SER   37 - HN    THR   77  25.14 +/- 1.49   1.001% *  0.8757% (0.31   0.02   0.02) =   0.029%
    Distance limit 4.38 A violated in 7 structures by 1.23 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   3.28 +/- 0.41  77.569% * 97.2124% (0.76  10.0   4.03  37.50) =  99.726%  kept
          HA    GLU-  79 - HN    THR   77   6.68 +/- 0.61   9.811% *  1.9997% (0.28   1.0   1.13   0.02) =   0.259%  kept
          HA    ASP-  44 - HN    THR   77   8.07 +/- 0.99   5.734% *  0.1062% (0.84   1.0   0.02   0.02) =   0.008%
          HA    SER   85 - HN    THR   77  12.35 +/- 1.53   1.988% *  0.0972% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  86 - HN    THR   77  13.97 +/- 1.45   1.273% *  0.1019% (0.80   1.0   0.02   0.02) =   0.002%
          HA    ILE  103 - HN    THR   77  17.22 +/- 1.99   0.655% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    THR   77  13.52 +/- 2.21   1.670% *  0.0196% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.99 +/- 4.13   0.275% *  0.0924% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  20.20 +/- 2.38   0.397% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  29.45 +/- 4.64   0.155% *  0.1103% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  27.78 +/- 2.98   0.159% *  0.1062% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  21.24 +/- 1.38   0.314% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.645, support = 5.31, residual support = 39.4:
        T HN    LEU   80 - HN    LYS+  81   3.49 +/- 0.52  83.393% * 94.5569% (0.65 10.00   5.34  39.67) =  99.236%  kept
          HN    SER   85 - HN    LYS+  81   6.47 +/- 0.31  14.504% *  4.1439% (0.45  1.00   1.26   0.02) =   0.756%  kept
        T HN    ALA   34 - HN    LYS+  81  22.90 +/- 5.12   0.416% *  1.1171% (0.76 10.00   0.02   0.02) =   0.006%
          HN    GLN   32 - HN    LYS+  81  21.71 +/- 6.58   0.629% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  81  17.75 +/- 3.06   1.058% *  0.0601% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 19.9:
        T HN    SER   82 - HN    LYS+  81   2.77 +/- 0.12  97.644% * 99.8569% (1.00 10.00   4.81  19.92) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  10.95 +/- 1.26   1.765% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    LYS+  81  21.35 +/- 4.18   0.333% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  27.22 +/- 5.41   0.131% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  26.41 +/- 2.26   0.127% *  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 = 0.693, support = 5.73, residual support = 38.7:
      O   HA    LEU   80 - HN    LYS+  81   2.52 +/- 0.32  76.139% * 88.9581% (0.69  10.0   5.84  39.67) =  97.515%  kept
          HA    ASP-  78 - HN    LYS+  81   5.31 +/- 1.31  18.175% *  9.1880% (0.95   1.0   1.50   0.55) =   2.404%  kept
          HA    THR   23 - HN    LYS+  81  14.58 +/- 9.20   3.125% *  1.7497% (0.98   1.0   0.28   0.02) =   0.079%
          HB    THR   23 - HN    LYS+  81  16.32 +/- 8.88   2.415% *  0.0681% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  23.48 +/- 3.28   0.146% *  0.0360% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.37, residual support = 110.6:
      O   HA    LYS+  81 - HN    LYS+  81   2.73 +/- 0.04  98.447% * 99.7055% (0.99  10.0   5.37 110.62) =  99.999%  kept
          HA    ARG+  54 - HN    LYS+  81  20.20 +/- 2.97   0.325% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  18.00 +/- 7.65   0.873% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  28.78 +/- 4.19   0.100% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  33.29 +/- 3.86   0.065% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  22.82 +/- 2.27   0.189% *  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 = 4.17, residual support = 34.7:
      O   HA    SER   82 - HN    SER   82   2.77 +/- 0.03  96.892% * 98.7108% (0.25  10.0   4.17  34.66) =  99.991%  kept
          HA    GLU-  25 - HN    SER   82  17.78 +/-10.05   1.654% *  0.3170% (0.80   1.0   0.02   0.02) =   0.005%
          HA    CYS   53 - HN    SER   82  19.77 +/- 2.93   0.324% *  0.3880% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    SER   82  22.36 +/- 7.28   0.310% *  0.3820% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  20.01 +/- 8.93   0.698% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  26.59 +/- 2.54   0.122% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.312, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  23.14 +/- 3.73  35.552% * 67.5049% (0.41   0.02   0.02) =  53.401%  kept
          HB    THR   23 - HN    SER   82  17.28 +/- 9.32  64.448% * 32.4951% (0.20   0.02   0.02) =  46.599%  kept
    Distance limit 4.37 A violated in 19 structures by 10.76 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 = 18.9:
        T HN    VAL   83 - HN    SER   82   2.70 +/- 0.09  99.313% * 99.9274% (1.00 10.00   5.62  18.87) =  99.999%  kept
          HN    CYS   50 - HN    SER   82  16.94 +/- 3.12   0.687% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.81, residual support = 19.9:
          HN    LYS+  81 - HN    SER   82   2.77 +/- 0.12  97.366% * 99.3761% (1.00   4.81  19.92) =  99.996%  kept
          QD    PHE   60 - HN    SER   82  18.41 +/- 3.75   0.475% *  0.3315% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  16.60 +/- 7.72   1.695% *  0.0922% (0.22   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    SER   82  22.81 +/- 2.41   0.199% *  0.1278% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  21.73 +/- 3.19   0.264% *  0.0725% (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 = 7.52, residual support = 40.8:
        T HN    ALA   84 - HN    VAL   83   2.63 +/- 0.09  98.900% * 99.6823% (0.75 10.00   7.52  40.79) =  99.999%  kept
          HE21  GLN   32 - HN    VAL   83  23.60 +/- 8.57   0.347% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.46 +/- 3.51   0.287% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.01 +/- 3.03   0.248% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  20.97 +/- 2.14   0.218% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 18.9:
        T HN    SER   82 - HN    VAL   83   2.70 +/- 0.09  96.807% * 99.8569% (0.75 10.00   5.62  18.87) =  99.999%  kept
          HN    GLN   90 - HN    VAL   83   9.98 +/- 1.25   2.306% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    VAL   83  18.51 +/- 5.13   0.627% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  27.35 +/- 5.95   0.122% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  25.06 +/- 2.69   0.138% *  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   2.79 +/- 0.09  97.729% * 99.8725% (0.99 10.00   3.77  20.71) =  99.999%  kept
          HN    GLN   32 - HN    ALA   84  21.77 +/- 6.82   0.410% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ALA   84  11.78 +/- 1.62   1.585% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  22.83 +/- 5.36   0.276% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.52, residual support = 40.8:
        T HN    VAL   83 - HN    ALA   84   2.63 +/- 0.09  99.065% * 99.9274% (1.00 10.00   7.52  40.79) =  99.999%  kept
          HN    CYS   50 - HN    ALA   84  14.91 +/- 2.91   0.935% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.24, residual support = 5.52:
          HA    LYS+  81 - HN    ALA   84   3.20 +/- 0.15  96.258% * 95.6542% (0.80   2.24   5.52) =  99.978%  kept
          HA    ASN   28 - HN    ALA   84  18.20 +/- 7.78   1.599% *  0.5199% (0.49   0.02   0.02) =   0.009%
          HA    ARG+  54 - HN    ALA   84  19.48 +/- 2.43   0.514% *  1.0308% (0.97   0.02   0.02) =   0.006%
          HA    LEU  115 - HN    ALA   84  20.39 +/- 2.22   0.432% *  0.4789% (0.45   0.02   0.02) =   0.002%
          HA    ALA  124 - HN    ALA   84  31.88 +/- 4.07   0.148% *  1.0658% (1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   84  28.68 +/- 4.61   0.177% *  0.7337% (0.69   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    ALA   84  23.65 +/- 4.44   0.339% *  0.3297% (0.31   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ALA   84  22.38 +/- 4.80   0.533% *  0.1871% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.18 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 = 0.507, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    VAL   83  18.71 +/- 2.83  20.473% * 27.0775% (0.70   0.02   0.02) =  32.574%  kept
          HA    GLU-  25 - HN    VAL   83  17.64 +/- 9.60  29.616% * 13.1508% (0.34   0.02   0.02) =  22.885%  kept
          HA    THR   26 - HN    VAL   83  19.60 +/- 8.70  16.460% * 21.2999% (0.55   0.02   0.02) =  20.602%  kept
          HA    ILE   19 - HN    VAL   83  21.72 +/- 7.19   9.991% * 20.1488% (0.52   0.02   0.02) =  11.828%  kept
          HA1   GLY  101 - HN    VAL   83  21.34 +/- 5.37  14.118% *  7.3142% (0.19   0.02   0.02) =   6.067%  kept
          HA    GLU- 114 - HN    VAL   83  24.62 +/- 2.86   9.343% * 11.0089% (0.28   0.02   0.02) =   6.043%  kept
    Distance limit 4.36 A violated in 20 structures by 8.16 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.573, support = 2.57, residual support = 5.07:
        T HN    SER   85 - HN    VAL   83   4.29 +/- 0.09  56.260% * 97.9507% (0.58 10.00   2.59   5.13) =  98.794%  kept
          HN    LEU   80 - HN    VAL   83   4.87 +/- 0.65  40.779% *  1.6395% (0.26  1.00   0.75   0.15) =   1.199%  kept
        T HN    CYS   53 - HN    VAL   83  18.53 +/- 2.70   0.845% *  0.2245% (0.13 10.00   0.02   0.02) =   0.003%
          HN    GLN   32 - HN    VAL   83  20.48 +/- 7.88   1.317% *  0.1279% (0.75  1.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  21.70 +/- 6.25   0.798% *  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 = 4.13, residual support = 10.2:
          HN    SER   82 - HN    ALA   84   3.94 +/- 0.13  82.317% * 99.2129% (0.87   4.14  10.17) =  99.921%  kept
          HN    GLN   90 - HN    ALA   84   7.49 +/- 1.33  15.828% *  0.3799% (0.69   0.02   0.02) =   0.074%
          HN    ILE  103 - HN    ALA   84  19.08 +/- 4.69   1.566% *  0.2692% (0.49   0.02   0.02) =   0.005%
          HN    GLY   16 - HN    ALA   84  27.89 +/- 5.36   0.289% *  0.1379% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.43 +/- 0.08  99.102% * 97.4523% (0.80   3.33  13.44) =  99.996%  kept
          HN    GLN   30 - HN    SER   85  22.18 +/- 7.12   0.259% *  0.6345% (0.87   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    SER   85  22.66 +/- 4.48   0.202% *  0.4732% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    SER   85  22.21 +/- 7.86   0.283% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  26.58 +/- 4.00   0.100% *  0.5311% (0.73   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    SER   85  31.77 +/- 4.13   0.053% *  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   2.79 +/- 0.09  95.102% * 97.8179% (0.90   3.77  20.71) =  99.990%  kept
          HZ2   TRP   87 - HN    SER   85   9.52 +/- 0.80   2.645% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    SER   85  17.99 +/- 8.97   1.319% *  0.1786% (0.31   0.02   0.02) =   0.003%
          HN    ILE   56 - HN    SER   85  21.14 +/- 2.82   0.251% *  0.5672% (0.98   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    SER   85  20.91 +/- 2.86   0.266% *  0.5190% (0.90   0.02   0.02) =   0.001%
          HN    LEU   63 - HN    SER   85  22.67 +/- 1.70   0.186% *  0.5342% (0.92   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    SER   85  26.58 +/- 8.00   0.231% *  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 = 5.13:
        T HN    VAL   83 - HN    SER   85   4.29 +/- 0.09  96.944% * 99.9526% (0.87 10.00   2.59   5.13) =  99.999%  kept
          HN    CYS   50 - HN    SER   85  16.32 +/- 3.22   3.056% *  0.0474% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.08 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.983, support = 3.65, residual support = 18.0:
      O   HA    SER   85 - HN    SER   85   2.83 +/- 0.02  77.236% * 92.5474% (0.99  10.0   3.65  18.03) =  98.591%  kept
          HA    ASP-  86 - HN    SER   85   4.91 +/- 0.06  14.837% *  6.8442% (0.45   1.0   3.27  13.44) =   1.401%  kept
          HB    THR   77 - HN    SER   85   8.76 +/- 2.27   4.501% *  0.0925% (0.99   1.0   0.02   0.02) =   0.006%
          HA    GLU-  79 - HN    SER   85  10.16 +/- 0.63   1.730% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    SER   85  15.25 +/- 1.74   0.557% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  19.92 +/- 4.59   0.357% *  0.0883% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.27 +/- 3.01   0.301% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  26.81 +/- 3.15   0.103% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  35.81 +/- 5.38   0.049% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  22.34 +/- 4.15   0.210% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  31.13 +/- 4.58   0.068% *  0.0350% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  34.41 +/- 4.24   0.050% *  0.0454% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.589, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    SER   85  18.70 +/- 2.51  17.568% * 14.2963% (0.61   0.02   0.02) =  24.021%  kept
          HA    THR   26 - HN    SER   85  22.94 +/- 7.77   9.492% * 23.1039% (0.98   0.02   0.02) =  20.974%  kept
          HA    GLU- 114 - HN    SER   85  24.68 +/- 2.40   7.512% * 17.1158% (0.73   0.02   0.02) =  12.296%  kept
          HA1   GLY  101 - HN    SER   85  23.70 +/- 5.21   9.357% * 13.3446% (0.57   0.02   0.02) =  11.942%  kept
          HA    ASN   28 - HN    SER   85  20.04 +/- 8.16  17.914% *  5.2476% (0.22   0.02   0.02) =   8.991%  kept
          HA    GLU-  25 - HN    SER   85  20.79 +/- 8.74  15.722% *  4.1279% (0.18   0.02   0.02) =   6.207%  kept
          HA    LEU  115 - HN    SER   85  21.97 +/- 2.17  10.146% *  5.8774% (0.25   0.02   0.02) =   5.703%  kept
          HA    ILE   19 - HN    SER   85  24.73 +/- 6.22   6.892% *  8.0401% (0.34   0.02   0.02) =   5.300%  kept
          HA    ALA   34 - HN    SER   85  25.70 +/- 4.67   5.397% *  8.8463% (0.38   0.02   0.02) =   4.566%  kept
    Distance limit 3.91 A violated in 20 structures by 9.61 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   2.43 +/- 0.08  98.833% * 99.7141% (0.99 10.00   3.33  13.44) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  24.12 +/- 6.34   0.172% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  22.91 +/- 7.96   0.269% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  13.47 +/- 1.72   0.727% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.936, support = 3.71, residual support = 22.7:
          HN    TRP   87 - HN    ASP-  86   2.74 +/- 0.06  95.331% * 73.6871% (0.95   3.71  22.70) =  98.407%  kept
          HE3   TRP   87 - HN    ASP-  86   7.65 +/- 0.37   4.455% * 25.5065% (0.31   3.94  22.70) =   1.592%  kept
          HD21  ASN   69 - HN    ASP-  86  27.73 +/- 3.64   0.113% *  0.3875% (0.92   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    ASP-  86  29.16 +/- 5.90   0.101% *  0.4189% (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   2.73 +/- 0.02  60.658% * 79.5813% (0.87  10.0   4.16  42.50) =  91.486%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.02  28.160% * 14.1556% (0.15  10.0   3.26  13.44) =   7.555%  kept
          HA    TRP   87 - HN    ASP-  86   5.26 +/- 0.05   8.484% *  5.9605% (0.28   1.0   4.67  22.70) =   0.958%  kept
          HB    THR   77 - HN    ASP-  86   9.82 +/- 2.18   1.979% *  0.0142% (0.15   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    ASP-  86  21.76 +/- 4.65   0.173% *  0.0885% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  15.15 +/- 2.12   0.426% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  31.27 +/- 4.78   0.049% *  0.0847% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  34.57 +/- 4.46   0.036% *  0.0766% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  36.02 +/- 5.44   0.035% *  0.0204% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 22.7:
          HN    ASP-  86 - HN    TRP   87   2.74 +/- 0.06  98.609% * 98.4399% (1.00   3.71  22.70) =  99.995%  kept
          HN    GLN   30 - HN    TRP   87  22.13 +/- 7.02   0.364% *  0.5305% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    TRP   87  22.46 +/- 7.53   0.359% *  0.3861% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  99 - HN    TRP   87  20.40 +/- 5.12   0.406% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  24.85 +/- 4.78   0.191% *  0.1996% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  31.97 +/- 4.21   0.071% *  0.2798% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 4.06, residual support = 67.7:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  64.793% * 78.1363% (0.90  10.0   4.16  74.43) =  87.057%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.62 +/- 0.01  34.644% * 21.7248% (0.25  10.0   3.39  22.70) =  12.942%  kept
          HA    LEU  104 - HN    TRP   87  20.40 +/- 4.59   0.293% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  22.24 +/- 2.09   0.162% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  31.37 +/- 4.51   0.063% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  34.93 +/- 4.16   0.045% *  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 = 1.89, residual support = 74.4:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  87.740% * 73.4328% (0.28  10.0   1.87  74.43) =  96.239%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.783% * 25.6737% (0.73   1.0   2.50  74.43) =   3.752%  kept
          HN    ALA   91 - HE1   TRP   87  11.27 +/- 0.52   1.156% *  0.2801% (0.99   1.0   0.02   0.02) =   0.005%
          HN    TRP   27 - HE1   TRP   87  18.08 +/- 8.26   0.843% *  0.2534% (0.90   1.0   0.02   5.62) =   0.003%
          HN    ALA   61 - HE1   TRP   87  19.34 +/- 2.76   0.265% *  0.2727% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HE1   TRP   87  22.46 +/- 5.42   0.213% *  0.0872% (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 = 5.61:
          HZ2   TRP   27 - HE1   TRP   87  12.94 +/- 9.74  61.013% * 99.7535% (0.80   2.00   5.62) =  99.842%  kept
          HZ    PHE   72 - HE1   TRP   87  16.59 +/- 3.47  38.987% *  0.2465% (0.20   0.02   0.02) =   0.158%  kept
    Distance limit 4.29 A violated in 11 structures by 6.41 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.305, support = 2.97, residual support = 4.87:
      O   HA    TRP   87 - HN    ALA   88   3.29 +/- 0.11  31.517% * 90.0029% (0.28  10.0   3.09   5.11) =  95.251%  kept
          HA    ASP-  86 - HN    ALA   88   4.16 +/- 0.21  15.624% *  8.8795% (0.87   1.0   0.63   0.02) =   4.658%  kept
          HA    SER   85 - HN    ALA   88   2.84 +/- 0.23  48.978% *  0.0499% (0.15   1.0   0.02   0.02) =   0.082%
          HB    THR   77 - HN    ALA   88   9.96 +/- 2.64   2.913% *  0.0499% (0.15   1.0   0.02   0.02) =   0.005%
          HA    LEU  104 - HN    ALA   88  21.84 +/- 4.48   0.168% *  0.3124% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   88  15.05 +/- 2.60   0.698% *  0.0641% (0.20   1.0   0.02   0.02) =   0.002%
          HA    GLU-  14 - HN    ALA   88  32.73 +/- 4.31   0.038% *  0.2988% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  36.31 +/- 4.01   0.032% *  0.2704% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  37.84 +/- 4.86   0.032% *  0.0721% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.602, support = 0.846, residual support = 16.9:
          HA    TRP   87 - HN    ILE   89   4.20 +/- 0.31  76.754% * 76.7797% (0.61   0.88  17.91) =  94.141%  kept
          HA    ASP-  86 - HN    ILE   89   6.51 +/- 0.40  21.474% * 16.9437% (0.53   0.23   0.02) =   5.812%  kept
          HA    LEU  104 - HN    ILE   89  21.17 +/- 3.79   0.777% *  2.7068% (0.95   0.02   0.02) =   0.034%
          HA    GLU-  14 - HN    ILE   89  31.93 +/- 4.00   0.208% *  1.7355% (0.61   0.02   0.02) =   0.006%
          HA    PHE   59 - HN    ILE   89  21.19 +/- 1.68   0.650% *  0.4415% (0.15   0.02   0.02) =   0.005%
          HA    ALA   12 - HN    ILE   89  35.68 +/- 3.44   0.137% *  1.3928% (0.49   0.02   0.02) =   0.003%
    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 = 6.74, residual support = 32.0:
          HN    ALA   91 - HN    GLN   90   2.76 +/- 0.53  96.326% * 94.9457% (0.92   6.75  32.02) =  99.855%  kept
          HE3   TRP   87 - HN    GLN   90   9.83 +/- 0.74   2.891% *  4.5217% (0.97   0.31   0.02) =   0.143%  kept
          HN    ALA   61 - HN    GLN   90  19.40 +/- 2.21   0.352% *  0.2943% (0.97   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    GLN   90  22.58 +/- 4.92   0.321% *  0.1849% (0.61   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    GLN   90  29.49 +/- 4.76   0.110% *  0.0534% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.385, support = 5.33, residual support = 89.5:
      O   HA    GLN   90 - HN    GLN   90   2.72 +/- 0.21  81.907% * 68.5535% (0.34  10.0   5.49  94.70) =  91.712%  kept
          HA    ALA   91 - HN    GLN   90   4.91 +/- 0.44  16.366% * 30.9927% (0.87   1.0   3.56  32.02) =   8.285%  kept
          HA    VAL  107 - HN    GLN   90  16.86 +/- 1.86   0.423% *  0.1940% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    GLN   90  14.45 +/- 2.45   0.723% *  0.0901% (0.45   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    GLN   90  22.38 +/- 4.70   0.206% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  18.61 +/- 3.65   0.375% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 94.7:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.953% * 99.0596% (0.92  10.0 10.00   1.00  94.70) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  32.33 +/- 5.91   0.024% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  31.77 +/- 6.17   0.023% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 94.7:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.832% * 99.4024% (0.76  10.0   1.00  94.70) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   8.08 +/- 0.89   1.132% *  0.0646% (0.25   1.0   0.02   3.69) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  11.88 +/- 3.81   0.626% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  22.13 +/- 3.10   0.056% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  17.59 +/- 2.44   0.118% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  26.87 +/- 5.65   0.041% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  33.95 +/- 4.37   0.016% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  27.98 +/- 4.13   0.054% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  32.33 +/- 5.91   0.023% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  29.30 +/- 5.17   0.054% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  30.71 +/- 5.51   0.029% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.46 +/- 3.34   0.018% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 2.54 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 = 32.0:
        T HN    GLN   90 - HN    ALA   91   2.76 +/- 0.53  92.823% * 99.6698% (0.95 10.00   6.75  32.02) =  99.998%  kept
          HN    GLY  109 - HN    ALA   91  12.66 +/- 3.19   1.796% *  0.0554% (0.53  1.00   0.02   0.02) =   0.001%
        T HN    GLN   90 - HN    TRP   27  22.58 +/- 4.92   0.309% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.15 +/- 1.04   1.450% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  21.78 +/- 2.66   0.259% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  16.93 +/- 4.15   0.951% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  17.11 +/- 9.02   2.190% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  24.00 +/- 3.03   0.222% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.06 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.516, support = 0.02, residual support = 4.02:
          HA    LEU   73 - HN    ALA   91  18.55 +/- 2.19  29.220% * 89.0027% (0.65   0.02   0.02) =  76.964%  kept
          HA    LEU   73 - HN    TRP   27  10.61 +/- 3.79  70.780% * 10.9973% (0.08   0.02  17.39) =  23.036%  kept
    Distance limit 4.48 A violated in 20 structures by 5.49 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 3.37, residual support = 25.4:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.02  45.006% * 89.2967% (1.00  10.0   3.12  14.40) =  88.032%  kept
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.04  52.224% * 10.4606% (0.12  10.0   5.27 106.70) =  11.966%  kept
          HA    PRO   52 - HN    ALA   91  12.96 +/- 3.87   1.080% *  0.0305% (0.34   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ALA   91  16.32 +/- 1.49   0.282% *  0.0847% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   91  13.29 +/- 2.99   0.696% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  22.22 +/- 4.00   0.128% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.88 +/- 2.83   0.169% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  21.31 +/- 4.27   0.157% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  25.07 +/- 3.15   0.098% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  25.08 +/- 3.88   0.159% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.67, residual support = 14.7:
          HN    ALA   91 - HN    MET   92   4.00 +/- 0.35  84.591% * 98.2872% (0.99   3.68  14.69) =  99.949%  kept
          HE3   TRP   87 - HN    MET   92  11.73 +/- 1.21   3.914% *  0.3918% (0.73   0.02   0.02) =   0.018%
          HD1   TRP   87 - HN    MET   92   9.61 +/- 2.05   8.364% *  0.1500% (0.28   0.02   0.02) =   0.015%
          HN    ALA   61 - HN    MET   92  15.07 +/- 2.56   2.127% *  0.5207% (0.97   0.02   0.02) =   0.013%
          HN    TRP   27 - HN    MET   92  20.95 +/- 3.60   0.688% *  0.4839% (0.90   0.02   0.02) =   0.004%
          HN    THR   39 - HN    MET   92  25.90 +/- 1.50   0.317% *  0.1665% (0.31   0.02   0.02) =   0.001%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.51, residual support = 62.9:
      O   HA    MET   92 - HN    MET   92   2.84 +/- 0.05  91.039% * 99.1845% (0.25  10.0   4.52  62.93) =  99.988%  kept
          HA    PHE   45 - HN    MET   92   7.33 +/- 1.75   8.323% *  0.0992% (0.25   1.0   0.02   0.02) =   0.009%
          HA    HIS  122 - HN    MET   92  22.85 +/- 2.94   0.301% *  0.3978% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    MET   92  18.79 +/- 1.44   0.337% *  0.3185% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.68, residual support = 14.7:
      O   HA    ALA   91 - HN    MET   92   2.34 +/- 0.17  96.451% * 99.6892% (0.80  10.0   3.68  14.69) =  99.998%  kept
          HA    PRO   52 - HN    MET   92  11.33 +/- 3.04   1.620% *  0.0855% (0.69   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    MET   92  13.52 +/- 1.23   0.645% *  0.0805% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HN    MET   92  12.70 +/- 2.27   1.105% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  20.37 +/- 3.52   0.178% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.42, residual support = 27.3:
        T HN    PHE   45 - HN    THR   94   2.92 +/- 0.55  93.134% * 97.7175% (0.95 10.00   3.43  27.37) =  99.828%  kept
          HN    ALA  110 - HN    THR   94   8.84 +/- 2.45   6.866% *  2.2825% (1.00  1.00   0.44   0.02) =   0.172%  kept
    Distance limit 4.29 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   9.41 +/- 0.69 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.40 A violated in 20 structures by 5.01 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.08, residual support = 15.7:
      O   HA    PRO   93 - HN    THR   94   2.17 +/- 0.04  97.976% * 99.9112% (0.22  10.0   4.08  15.66) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   9.03 +/- 1.71   2.024% *  0.0888% (0.20   1.0   0.02   0.02) =   0.002%
    Distance limit 3.32 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 = 0.949, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.04 +/- 0.17  80.573% * 54.6147% (1.00   0.02   0.02) =  88.474%  kept
          HA    LYS+  74 - HN    THR   94  10.47 +/- 0.69  16.015% * 33.1992% (0.61   0.02   0.02) =  10.690%  kept
          HA    HIS  122 - HN    THR   94  18.08 +/- 2.22   3.412% * 12.1862% (0.22   0.02   0.02) =   0.836%  kept
    Distance limit 3.81 A violated in 20 structures by 2.19 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 42.5:
          HN    VAL  107 - HN    PHE   95   3.74 +/- 0.80  97.858% * 99.0525% (0.97   2.00  42.47) =  99.979%  kept
          HN    GLY   51 - HN    PHE   95  14.75 +/- 2.02   2.142% *  0.9475% (0.92   0.02   0.02) =   0.021%
    Distance limit 4.02 A violated in 1 structures by 0.17 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   2.85 +/- 0.69  94.191% * 99.3370% (0.87   3.86  73.46) =  99.983%  kept
          HN    ALA   47 - HN    PHE   95  11.28 +/- 1.36   2.051% *  0.5150% (0.87   0.02   0.02) =   0.011%
          QE    PHE   72 - HN    PHE   95  10.14 +/- 1.64   3.758% *  0.1480% (0.25   0.02   0.02) =   0.006%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.33  73.46) = 100.000%  kept
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.8:
      O   HA    THR   94 - HN    PHE   95   2.32 +/- 0.14  97.758% * 99.8515% (0.65  10.0   3.16  14.75) =  99.999%  kept
          HA    LYS+  74 - HN    PHE   95  12.18 +/- 0.71   0.710% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    PHE   95   9.33 +/- 0.26   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 = 3.99, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.21 +/- 0.02 100.000% *100.0000% (0.95  10.0   3.99  11.98) = 100.000%  kept
    Distance limit 3.16 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  95.828% * 99.9800% (0.94  10.0   4.09 115.39) =  99.999%  kept
          HA    PHE   72 - HN    MET   96   9.76 +/- 1.81   4.172% *  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 = 59.7:
        T HN    ASP- 105 - HN    PHE   97   3.37 +/- 0.54  98.541% * 99.9802% (1.00 10.00   4.89  59.75) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  17.29 +/- 4.13   1.459% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.04, residual support = 61.9:
          QD    PHE   97 - HN    PHE   97   3.38 +/- 0.64  92.227% * 93.6728% (0.80   4.06  62.23) =  99.502%  kept
          HZ3   TRP   87 - HN    PHE   97  12.68 +/- 6.29   7.344% *  5.8658% (0.87   0.23   0.02) =   0.496%  kept
          HE3   TRP   49 - HN    PHE   97  22.14 +/- 1.55   0.429% *  0.4613% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.16 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.03, residual support = 11.3:
          HA    LYS+ 106 - HN    PHE   97   3.19 +/- 0.50 100.000% *100.0000% (0.98   3.03  11.34) = 100.000%  kept
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.0:
      O   HA    MET   96 - HN    PHE   97   2.24 +/- 0.06  99.013% * 99.9800% (0.99  10.0   6.07  43.98) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  11.51 +/- 1.83   0.987% *  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 = 5.51, residual support = 26.5:
        T HN    VAL   41 - HN    LEU   98   4.09 +/- 0.89 100.000% *100.0000% (0.69 10.00   5.51  26.53) = 100.000%  kept
    Distance limit 4.01 A violated in 2 structures by 0.40 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.05, residual support = 77.1:
      O   HA    LEU   98 - HN    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.05  77.09) = 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   2.22 +/- 0.03 100.000% *100.0000% (0.98  10.0   3.36  10.68) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.49, support = 1.55, residual support = 5.57:
          HA    LEU   40 - HN    LEU   98   5.76 +/- 0.69  29.190% * 68.2165% (0.53   2.07   9.79) =  55.243%  kept
          HA    VAL   42 - HN    LEU   98   3.99 +/- 1.37  63.058% * 25.4483% (0.45   0.91   0.36) =  44.520%  kept
          HA    SER   37 - HN    LEU   98  14.02 +/- 1.13   2.598% *  1.2082% (0.97   0.02   0.02) =   0.087%
          HA    THR   46 - HN    LEU   98  16.24 +/- 0.91   1.313% *  1.2408% (0.99   0.02   0.02) =   0.045%
          HA    GLN   17 - HN    LEU   98  17.87 +/- 4.14   1.085% *  1.2082% (0.97   0.02   0.02) =   0.036%
          HA    PRO   58 - HN    LEU   98  17.14 +/- 3.53   1.246% *  0.8599% (0.69   0.02   0.02) =   0.030%
          HA    GLU-  15 - HN    LEU   98  17.99 +/- 3.00   1.011% *  0.9091% (0.73   0.02   0.02) =   0.025%
          HA    SER   13 - HN    LEU   98  22.60 +/- 2.40   0.498% *  0.9091% (0.73   0.02   0.02) =   0.013%
    Distance limit 4.48 A violated in 1 structures by 0.22 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.808, support = 1.21, residual support = 1.32:
          HN    LYS+ 102 - HN    LYS+  99   3.67 +/- 0.69  61.599% * 57.8376% (0.95   0.82   1.48) =  82.118%  kept
          HN    ASP- 105 - HN    LYS+  99   6.00 +/- 0.68  19.460% * 39.5241% (0.18   3.02   0.57) =  17.728%  kept
          HN    GLU-  36 - HN    LYS+  99  12.05 +/- 1.41   2.311% *  1.1969% (0.80   0.02   0.02) =   0.064%
          HN    THR   39 - HN    LYS+  99   9.57 +/- 1.04   4.752% *  0.5610% (0.38   0.02   0.02) =   0.061%
          HD1   TRP   87 - HN    LYS+  99  18.95 +/- 5.01   0.914% *  0.6145% (0.41   0.02   0.02) =   0.013%
          HN    GLU-  36 - HN    GLN   30   9.38 +/- 0.61   4.481% *  0.0786% (0.05   0.02   0.02) =   0.008%
          HN    LYS+ 102 - HN    GLN   30  14.58 +/- 3.57   1.845% *  0.0929% (0.06   0.02   0.02) =   0.004%
          HN    THR   39 - HN    GLN   30  11.18 +/- 1.27   2.726% *  0.0369% (0.02   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    GLN   30  20.63 +/- 7.06   0.862% *  0.0404% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  16.47 +/- 2.39   1.051% *  0.0172% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.31 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.33, residual support = 18.2:
      O   HA    LEU   98 - HN    LYS+  99   2.33 +/- 0.11  99.434% * 99.9934% (0.99  10.0   4.33  18.22) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.20 +/- 2.34   0.566% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.24, residual support = 173.6:
      O   HA    LYS+  99 - HN    LYS+  99   2.89 +/- 0.03  88.735% * 99.5300% (0.80  10.0   5.24 173.61) =  99.995%  kept
          HA    ASN   35 - HN    LYS+  99   9.72 +/- 2.10   3.151% *  0.0804% (0.65   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    LYS+  99  17.59 +/- 3.89   0.809% *  0.0754% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    LYS+  99  17.95 +/- 5.94   0.633% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.00 +/- 1.51   0.249% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  21.84 +/- 2.23   0.235% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.30 +/- 2.80   2.106% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.47 +/- 0.82   2.006% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  20.41 +/- 5.69   0.454% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.18 +/- 3.60   0.496% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  26.74 +/- 4.51   0.215% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  22.58 +/- 4.81   0.379% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.06 +/- 3.78   0.244% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  23.64 +/- 6.92   0.290% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.46 +/- 0.54  73.399% * 99.8763% (1.00 10.00   3.61  14.93) =  99.955%  kept
          HN    LEU   40 - HN    GLU- 100   6.69 +/- 2.42  26.601% *  0.1237% (0.14  1.00   0.18   0.02) =   0.045%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 6.82, residual support = 38.8:
      O   HA    LYS+  99 - HN    GLU- 100   2.22 +/- 0.06  74.523% * 99.2057% (0.99  10.0   6.83  38.83) =  99.883%  kept
          HA    LEU   40 - HN    GLU- 100   5.12 +/- 2.19  19.716% *  0.4114% (0.20   1.0   0.42   0.02) =   0.110%  kept
          HA    ASN   35 - HN    GLU- 100   6.93 +/- 2.55   5.198% *  0.0924% (0.92   1.0   0.02   0.02) =   0.006%
          HA    LEU  123 - HN    GLU- 100  18.72 +/- 6.30   0.221% *  0.0801% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  19.13 +/- 3.76   0.205% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  23.90 +/- 2.38   0.070% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  23.67 +/- 1.72   0.067% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.91 +/- 0.87  84.031% * 98.8234% (0.95   3.13  12.50) =  99.942%  kept
          HN    GLU-  36 - HN    GLY  101  10.47 +/- 2.62   4.840% *  0.5346% (0.80   0.02   0.02) =   0.031%
          HN    THR   39 - HN    GLY  101   9.03 +/- 1.93   5.743% *  0.2506% (0.38   0.02   0.02) =   0.017%
          HN    ASP- 105 - HN    GLY  101   9.33 +/- 0.83   4.571% *  0.1169% (0.18   0.02   0.02) =   0.006%
          HD1   TRP   87 - HN    GLY  101  20.69 +/- 5.39   0.815% *  0.2745% (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 = 0.817, residual support = 1.48:
          HN    LYS+  99 - HN    LYS+ 102   3.67 +/- 0.69  87.452% * 94.3904% (0.98   0.82   1.48) =  99.866%  kept
          HE1   HIS  122 - HN    LYS+ 102  17.53 +/- 7.36   2.816% *  2.2270% (0.95   0.02   0.02) =   0.076%
          HN    ASN   35 - HN    LYS+ 102  10.83 +/- 2.87   5.705% *  0.3632% (0.15   0.02   0.02) =   0.025%
          HN    GLN   30 - HN    LYS+ 102  14.58 +/- 3.57   2.607% *  0.5870% (0.25   0.02   0.02) =   0.019%
          HN    GLU-  14 - HN    LYS+ 102  24.01 +/- 3.02   0.362% *  1.9664% (0.84   0.02   0.02) =   0.009%
          HN    ASP-  86 - HN    LYS+ 102  21.82 +/- 5.91   1.058% *  0.4659% (0.20   0.02   0.02) =   0.006%
    Distance limit 3.67 A violated in 0 structures by 0.29 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   2.91 +/- 0.87  96.920% * 99.9864% (1.00 10.00   3.13  12.50) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  11.05 +/- 1.75   3.080% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.07 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.46 +/- 0.54 100.000% *100.0000% (0.80 10.00   3.61  14.93) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 1.41, residual support = 1.34:
          HA    LYS+  99 - HN    GLY  101   4.21 +/- 0.67  61.437% * 89.9257% (0.99   1.43   1.37) =  98.130%  kept
          HA    LEU   40 - HN    GLY  101   7.79 +/- 1.74  15.051% *  5.2174% (0.20   0.42   0.02) =   1.395%  kept
          HA    ASN   35 - HN    GLY  101   8.26 +/- 3.31  21.151% *  1.1718% (0.92   0.02   0.02) =   0.440%  kept
          HA    LEU  123 - HN    GLY  101  20.54 +/- 6.08   0.857% *  1.0164% (0.80   0.02   0.02) =   0.015%
          HA    ASP- 113 - HN    GLY  101  24.47 +/- 1.42   0.355% *  1.1384% (0.90   0.02   0.02) =   0.007%
          HA    ILE   56 - HN    GLY  101  25.04 +/- 2.19   0.338% *  1.1384% (0.90   0.02   0.02) =   0.007%
          HA    PHE   59 - HN    GLY  101  20.68 +/- 3.79   0.810% *  0.3918% (0.31   0.02   0.02) =   0.006%
    Distance limit 4.78 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   2.71 +/- 0.20  92.729% * 99.5220% (1.00  10.0   2.86  15.43) =  99.993%  kept
          HA    ALA   34 - HN    GLY  101   9.49 +/- 2.37   3.256% *  0.0963% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    GLY  101  13.51 +/- 4.45   2.533% *  0.0833% (0.84   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    GLY  101  17.56 +/- 3.76   0.542% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.35 +/- 2.14   0.285% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.83 +/- 1.98   0.192% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  21.10 +/- 7.09   0.340% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.25 +/- 3.79   0.123% *  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 = 6.56, residual support = 37.6:
          HN    LEU  104 - HN    ILE  103   4.35 +/- 0.37  97.368% * 99.3900% (0.49   6.56  37.64) =  99.983%  kept
          HN    PHE   72 - HN    ILE  103  15.12 +/- 2.19   2.632% *  0.6100% (0.98   0.02   0.02) =   0.017%
    Distance limit 4.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.99, residual support = 23.6:
      O   HA    LYS+ 102 - HN    ILE  103   2.32 +/- 0.14  99.128% * 99.7796% (0.97  10.0   5.99  23.65) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  17.92 +/- 3.44   0.326% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  19.55 +/- 3.50   0.212% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  19.03 +/- 0.77   0.186% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  27.65 +/- 1.69   0.063% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.94 +/- 1.65   0.086% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.0, residual support = 138.8:
      O   HA    ILE  103 - HN    ILE  103   2.66 +/- 0.20  96.038% * 99.2916% (0.98  10.0   7.00 138.77) =  99.997%  kept
          HA    THR   39 - HN    ILE  103  12.98 +/- 1.54   1.069% *  0.0846% (0.84   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ILE  103  13.79 +/- 1.07   0.716% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ILE  103  18.78 +/- 2.67   0.314% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  21.29 +/- 5.29   0.303% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  20.94 +/- 3.58   0.306% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  18.66 +/- 6.60   0.612% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.07 +/- 1.88   0.190% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  29.28 +/- 4.06   0.092% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  27.46 +/- 1.70   0.091% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  27.77 +/- 3.91   0.117% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  24.53 +/- 3.14   0.154% *  0.0156% (0.15   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 = 7.06, residual support = 35.5:
        T HN    ASP- 105 - HN    LEU  104   2.58 +/- 0.67  99.579% * 99.9802% (1.00 10.00   7.06  35.55) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  20.03 +/- 4.51   0.421% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 3.61, residual support = 10.1:
          HA    LEU   98 - HN    LEU  104   2.47 +/- 1.02 100.000% *100.0000% (0.80   3.61  10.08) = 100.000%  kept
    Distance limit 3.94 A violated in 1 structures by 0.13 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 37.6:
      O   HA    ILE  103 - HN    LEU  104   2.35 +/- 0.24  96.364% * 99.2645% (0.95  10.0   6.62  37.64) =  99.997%  kept
          HA    ASP-  44 - HN    LEU  104  11.94 +/- 0.98   1.046% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU  104  11.74 +/- 1.38   1.023% *  0.0552% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    LEU  104  18.37 +/- 2.34   0.259% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  22.02 +/- 4.06   0.168% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  21.15 +/- 3.53   0.210% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  19.98 +/- 5.28   0.273% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  28.83 +/- 4.26   0.077% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.35 +/- 3.04   0.145% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.07 +/- 4.09   0.099% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.32 +/- 2.44   0.250% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.59 +/- 1.72   0.087% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.89, residual support = 59.7:
        T HN    PHE   97 - HN    ASP- 105   3.37 +/- 0.54  95.906% * 99.7623% (0.73 10.00   4.89  59.75) =  99.997%  kept
          HN    LEU  115 - HN    ASP- 105  12.88 +/- 1.43   2.059% *  0.0998% (0.73  1.00   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    ASP- 105  14.90 +/- 1.63   1.799% *  0.0382% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    ASP- 105  28.70 +/- 4.08   0.237% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.06, residual support = 35.5:
        T HN    LEU  104 - HN    ASP- 105   2.58 +/- 0.67  98.281% * 99.9822% (0.87 10.00   7.06  35.55) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.84 +/- 2.04   1.719% *  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 = 135.0:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.91 +/- 0.02 100.000% *100.0000% (0.95  10.0   5.17 135.02) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 23.7:
      O   HA    ASP- 105 - HN    LYS+ 106   2.48 +/- 0.10  98.922% * 99.6913% (0.92  10.0   3.49  23.72) =  99.999%  kept
          HB    THR   23 - HN    LYS+ 106  23.76 +/- 4.67   0.380% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    LYS+ 106  21.48 +/- 3.64   0.248% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  22.85 +/- 4.16   0.279% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  21.39 +/- 2.14   0.172% *  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   2.87 +/- 0.04  98.282% * 99.6913% (0.92  10.0   4.34  41.88) =  99.999%  kept
          HB    THR   23 - HN    ASP- 105  21.71 +/- 4.11   0.594% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HN    ASP- 105  20.73 +/- 3.95   0.372% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  20.98 +/- 3.84   0.482% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  21.31 +/- 2.32   0.270% *  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 = 0.39, support = 5.72, residual support = 30.3:
      O   HA    LEU  104 - HN    ASP- 105   3.47 +/- 0.37  55.578% * 77.1272% (0.34  10.0   6.25  35.55) =  83.843%  kept
          HA    ILE  103 - HN    ASP- 105   4.20 +/- 0.73  38.452% * 21.4600% (0.65   1.0   2.93   3.32) =  16.140%  kept
          HA    ASP-  44 - HN    ASP- 105  11.04 +/- 1.27   2.475% *  0.1889% (0.84   1.0   0.02   0.02) =   0.009%
          HB    THR   77 - HN    ASP- 105  17.91 +/- 2.19   0.468% *  0.1728% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    ASP- 105  20.05 +/- 4.85   0.431% *  0.1811% (0.80   1.0   0.02   0.02) =   0.002%
          HA    THR   39 - HN    ASP- 105  12.92 +/- 1.61   1.285% *  0.0503% (0.22   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP- 105  21.76 +/- 3.64   0.290% *  0.1728% (0.76   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP- 105  24.07 +/- 3.28   0.224% *  0.1642% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  28.13 +/- 4.01   0.179% *  0.1889% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  30.01 +/- 4.15   0.118% *  0.1961% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  21.38 +/- 3.27   0.310% *  0.0629% (0.28   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.22 +/- 1.90   0.190% *  0.0349% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 5.39:
          QD    PHE   97 - HN    VAL  107   4.81 +/- 1.00  85.479% * 99.0099% (0.87   2.25   5.40) =  99.875%  kept
          HZ3   TRP   87 - HN    VAL  107  12.56 +/- 4.55  12.576% *  0.8124% (0.80   0.02   0.02) =   0.121%  kept
          HE3   TRP   49 - HN    VAL  107  19.89 +/- 2.17   1.945% *  0.1777% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.52 A violated in 2 structures by 0.55 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.3:
      O   HA    LYS+ 106 - HN    VAL  107   2.24 +/- 0.07 100.000% *100.0000% (0.98  10.0   4.58  26.35) = 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 = 3.66, residual support = 60.1:
      O   HA    VAL  107 - HN    VAL  107   2.93 +/- 0.01  94.467% * 99.7406% (0.95  10.0   3.66  60.07) =  99.998%  kept
          HA    ALA   91 - HN    VAL  107  14.64 +/- 1.10   0.796% *  0.1052% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    VAL  107   9.21 +/- 1.36   3.714% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  18.17 +/- 2.03   0.462% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  16.88 +/- 2.34   0.561% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.84, residual support = 59.7:
          QD    PHE   97 - HN    ASP- 105   4.13 +/- 0.44  90.996% * 99.6164% (0.87   5.84  59.75) =  99.970%  kept
          HZ3   TRP   87 - HN    ASP- 105  14.37 +/- 6.45   8.509% *  0.3147% (0.80   0.02   0.02) =   0.030%
          HE3   TRP   49 - HN    ASP- 105  24.70 +/- 2.12   0.495% *  0.0688% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.617, support = 0.365, residual support = 0.02:
          HA    LYS+  74 - HN    GLY  109  17.69 +/- 1.92   4.012% * 96.8150% (0.74   0.49   0.02) =  73.367%  kept
          HA    THR   94 - HN    GLY  109   5.87 +/- 2.05  75.369% *  1.3762% (0.26   0.02   0.02) =  19.590%  kept
          HA    MET   92 - HN    GLY  109   9.53 +/- 2.98  20.619% *  1.8088% (0.34   0.02   0.02) =   7.044%  kept
    Distance limit 4.46 A violated in 9 structures by 1.52 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.552, support = 2.17, residual support = 8.47:
      O   HA1   GLY  109 - HN    GLY  109   2.63 +/- 0.22  38.627% * 65.3019% (0.73  10.0   1.76   9.36) =  54.842%  kept
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.04  60.317% * 34.4338% (0.34  10.0   2.66   7.39) =  45.157%  kept
          HA    CYS   50 - HN    GLY  109  15.60 +/- 3.66   0.286% *  0.0753% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  14.83 +/- 3.50   0.437% *  0.0435% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  19.10 +/- 3.90   0.162% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  23.35 +/- 3.38   0.077% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.38 +/- 0.81   0.093% *  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 = 0.898, support = 3.01, residual support = 9.01:
          HN    LYS+ 111 - HN    ALA  110   3.33 +/- 0.81  87.885% * 83.8156% (0.90   3.04   9.11) =  98.840%  kept
          HN    ILE   56 - HN    ALA  110  12.10 +/- 3.50   5.861% * 14.4687% (0.98   0.48   0.67) =   1.138%  kept
          HN    LEU   63 - HN    ALA  110  16.18 +/- 2.32   1.084% *  0.5676% (0.92   0.02   0.02) =   0.008%
          HN    ALA   84 - HN    ALA  110  17.97 +/- 3.69   0.944% *  0.5514% (0.90   0.02   0.02) =   0.007%
          HZ2   TRP   87 - HN    ALA  110  16.53 +/- 5.03   3.539% *  0.1077% (0.18   0.02   0.02) =   0.005%
          HD21  ASN   28 - HN    ALA  110  23.66 +/- 3.36   0.477% *  0.1898% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  29.96 +/- 2.70   0.211% *  0.2993% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.692, support = 2.03, residual support = 6.13:
      O   HA1   GLY  109 - HN    ALA  110   3.29 +/- 0.41  56.886% * 93.8843% (0.69  10.0   2.07   6.39) =  95.852%  kept
          HA    VAL  108 - HN    ALA  110   4.32 +/- 1.17  39.962% *  5.7753% (0.80   1.0   1.06   0.02) =   4.142%  kept
          HA    ALA   47 - HN    ALA  110  15.00 +/- 3.56   1.179% *  0.1226% (0.90   1.0   0.02   0.02) =   0.003%
          HA    CYS   50 - HN    ALA  110  15.09 +/- 3.85   1.092% *  0.0992% (0.73   1.0   0.02   0.02) =   0.002%
          HA    TRP   49 - HN    ALA  110  18.75 +/- 4.20   0.507% *  0.0719% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA  110  23.93 +/- 3.76   0.374% *  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 = 2.74, residual support = 9.58:
      O   HA    ALA  110 - HN    ALA  110   2.40 +/- 0.29  91.325% * 98.1886% (0.18  10.0   2.74   9.58) =  99.952%  kept
          HA    VAL  107 - HN    ALA  110   6.92 +/- 1.15   6.001% *  0.5304% (0.95   1.0   0.02   0.02) =   0.035%
          HA    ALA   91 - HN    ALA  110  12.78 +/- 3.40   1.391% *  0.5594% (1.00   1.0   0.02   0.02) =   0.009%
          HA    PRO   52 - HN    ALA  110  13.36 +/- 4.06   1.078% *  0.1912% (0.34   1.0   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    ALA  110  23.64 +/- 3.09   0.204% *  0.5304% (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 = 28.9:
        T HN    LYS+ 112 - HN    LYS+ 111   4.40 +/- 0.13  94.270% * 99.8172% (0.99 10.00   5.34  28.90) =  99.998%  kept
          HN    LYS+  74 - HN    LYS+ 111  20.28 +/- 3.39   1.434% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    THR   46 - HN    LYS+ 111  14.75 +/- 1.92   2.863% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    ASP-  78 - HN    LYS+ 111  19.02 +/- 1.79   1.283% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  39.32 +/- 4.60   0.150% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.25 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.11:
        T HN    ALA  110 - HN    LYS+ 111   3.33 +/- 0.81  96.856% * 99.9053% (1.00 10.00   3.04   9.11) =  99.997%  kept
          HN    PHE   45 - HN    LYS+ 111  11.98 +/- 1.73   3.144% *  0.0947% (0.95  1.00   0.02   0.02) =   0.003%
    Distance limit 4.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.784, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.65 +/- 1.41  41.212% * 58.2608% (1.00   0.02   0.02) =  66.490%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.07 +/- 1.17  37.828% * 19.8732% (0.34   0.02   0.02) =  20.818%  kept
          HD2   HIS  122 - HN    LYS+ 111  14.52 +/- 1.39  20.960% * 21.8659% (0.38   0.02   0.02) =  12.692%  kept
    Distance limit 4.53 A violated in 20 structures by 5.51 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   2.95 +/- 0.33  87.998% * 99.3312% (0.45  10.0   3.04   9.11) =  99.976%  kept
          HA    VAL  107 - HN    LYS+ 111   7.30 +/- 1.47   7.979% *  0.2138% (0.97   1.0   0.02   0.02) =   0.020%
          HA    ALA   91 - HN    LYS+ 111  14.43 +/- 2.36   0.987% *  0.1922% (0.87   1.0   0.02   0.02) =   0.002%
          HA    PHE   55 - HN    LYS+ 111  12.66 +/- 3.32   2.346% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LYS+ 111  17.40 +/- 2.08   0.502% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  24.24 +/- 3.31   0.188% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.11 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.9:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.37 +/- 0.22  97.535% * 99.8075% (0.53  10.0   7.09  28.90) =  99.997%  kept
          HA    VAL  108 - HN    LYS+ 112   9.24 +/- 0.92   1.967% *  0.1074% (0.57   1.0   0.02   0.02) =   0.002%
          HA    ALA   47 - HN    LYS+ 112  15.74 +/- 2.05   0.498% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.4, residual support = 23.0:
        T HN    GLU- 114 - HN    ASP- 113   2.56 +/- 0.23  82.045% * 94.2310% (0.81 10.00   4.43  23.23) =  99.034%  kept
          HN    GLN  116 - HN    ASP- 113   4.79 +/- 0.39  13.409% *  5.6031% (0.76  1.00   1.25   1.90) =   0.962%  kept
          HN    THR  118 - HN    ASP- 113   8.14 +/- 0.75   2.743% *  0.0644% (0.55  1.00   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ASP- 113  11.81 +/- 1.94   1.553% *  0.0410% (0.35  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    ASP- 113  21.71 +/- 3.67   0.250% *  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 = 4.43, residual support = 23.2:
        T HN    ASP- 113 - HN    GLU- 114   2.56 +/- 0.23 100.000% *100.0000% (1.00 10.00   4.43  23.23) = 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 = 3.89, residual support = 43.6:
      O   HA    GLU- 114 - HN    GLU- 114   2.80 +/- 0.04  84.013% * 88.9150% (0.97  10.0   3.88  44.03) =  98.039%  kept
          HA    LEU  115 - HN    GLU- 114   5.13 +/- 0.12  13.847% * 10.7814% (0.53   1.0   4.45  21.22) =   1.959%  kept
          HA    CYS   53 - HN    GLU- 114  12.02 +/- 1.82   1.356% *  0.0284% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLU- 114  28.23 +/- 4.83   0.268% *  0.0872% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.33 +/- 1.65   0.138% *  0.0799% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  24.87 +/- 3.21   0.162% *  0.0633% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  24.82 +/- 3.66   0.217% *  0.0448% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 3.63:
          HA    LYS+ 111 - HN    ASP- 113   3.93 +/- 0.50  88.137% * 99.1989% (0.74   2.19   3.64) =  99.962%  kept
          HA    VAL  108 - HN    ASP- 113  10.14 +/- 0.80   6.884% *  0.2609% (0.21   0.02   0.02) =   0.021%
          HA    PRO   52 - HN    ASP- 113  12.89 +/- 2.43   3.781% *  0.3569% (0.29   0.02   0.02) =   0.015%
          HA    ALA   47 - HN    ASP- 113  17.73 +/- 1.83   1.197% *  0.1833% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.34 A violated in 0 structures by 0.06 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.48, residual support = 14.4:
      O   HA    ASP- 113 - HN    ASP- 113   2.77 +/- 0.08  92.297% * 99.6702% (0.85  10.0   3.48  14.45) =  99.995%  kept
          HA    ILE   56 - HN    ASP- 113   8.92 +/- 2.13   4.778% *  0.0606% (0.52   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    ASP- 113  11.27 +/- 1.64   1.849% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  16.76 +/- 1.43   0.477% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  22.01 +/- 1.95   0.242% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  27.79 +/- 2.94   0.111% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  21.23 +/- 2.99   0.246% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 8.17, residual support = 87.6:
        T HN    GLN  116 - HN    LEU  115   2.64 +/- 0.16  44.294% * 84.3530% (0.99 10.00   8.73  99.74) =  84.533%  kept
          HN    GLU- 114 - HN    LEU  115   2.59 +/- 0.14  47.051% * 14.3443% (0.65  1.00   5.21  21.22) =  15.269%  kept
          HN    THR  118 - HN    LEU  115   4.99 +/- 0.48   7.208% *  1.2009% (0.95  1.00   0.30   0.11) =   0.196%  kept
          HN    PHE   60 - HN    LEU  115   9.57 +/- 1.19   1.098% *  0.0650% (0.76  1.00   0.02   0.02) =   0.002%
          HN    LEU   71 - HN    LEU  115  18.37 +/- 3.39   0.267% *  0.0237% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.49 +/- 4.57   0.082% *  0.0131% (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 = 8.73, residual support = 99.7:
        T HN    LEU  115 - HN    GLN  116   2.64 +/- 0.16  98.866% * 99.8619% (0.98 10.00   8.73  99.74) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  12.51 +/- 1.28   1.061% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  33.04 +/- 5.37   0.073% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.58, residual support = 28.7:
        T HN    SER  117 - HN    GLN  116   2.68 +/- 0.20  99.448% * 99.8966% (0.97 10.00   5.58  28.66) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  23.28 +/- 4.97   0.421% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  25.53 +/- 2.53   0.131% *  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 = 0.968, support = 4.19, residual support = 17.2:
        T HN    GLN  116 - HN    SER  117   2.68 +/- 0.20  45.518% * 50.0762% (0.99 10.00   5.58  28.66) =  51.455%  kept
        T HN    THR  118 - HN    SER  117   2.70 +/- 0.19  44.684% * 47.7930% (0.95 10.00   2.73   5.05) =  48.210%  kept
          HN    GLU- 114 - HN    SER  117   4.75 +/- 0.39   8.396% *  1.7229% (0.65  1.00   1.05   0.95) =   0.327%  kept
        T HN    PHE   60 - HN    SER  117  10.54 +/- 1.39   0.939% *  0.3861% (0.76 10.00   0.02   0.02) =   0.008%
          HN    LEU   71 - HN    SER  117  18.41 +/- 3.69   0.354% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  26.33 +/- 4.89   0.107% *  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 = 2.66, residual support = 119.7:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  98.961% * 99.8133% (0.95  10.0   2.66 119.68) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   9.48 +/- 1.44   0.763% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  15.83 +/- 2.20   0.220% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  25.60 +/- 4.98   0.056% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.66, residual support = 119.7:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  95.043% * 99.7477% (0.90  10.0 10.00   2.66 119.68) =  99.995%  kept
          HN    ALA  120 - HE22  GLN  116   6.42 +/- 1.72   3.291% *  0.1090% (0.98   1.0  1.00   0.02   0.18) =   0.004%
          HN    ALA   57 - HE22  GLN  116  10.97 +/- 3.35   1.152% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN  116  12.17 +/- 2.00   0.443% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  27.90 +/- 4.19   0.071% *  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 = 0.99, support = 1.2, residual support = 1.88:
          HA    ASP- 113 - HN    GLN  116   3.62 +/- 0.25  75.644% * 86.4266% (1.00   1.22   1.90) =  98.184%  kept
          HA    PHE   59 - HN    GLN  116   7.70 +/- 1.32  11.311% *  9.7350% (0.61   0.23   0.44) =   1.654%  kept
          HA    ILE   56 - HN    GLN  116   7.91 +/- 1.30   9.706% *  0.8638% (0.61   0.02   0.02) =   0.126%  kept
          HA    LEU  123 - HN    GLN  116  12.66 +/- 0.94   1.999% *  0.6932% (0.49   0.02   0.02) =   0.021%
          HA    LYS+  99 - HN    GLN  116  18.87 +/- 1.49   0.596% *  1.1404% (0.80   0.02   0.02) =   0.010%
          HA    ASN   35 - HN    GLN  116  24.39 +/- 2.43   0.278% *  0.9213% (0.65   0.02   0.02) =   0.004%
          HA    TRP   87 - HN    GLN  116  21.55 +/- 2.92   0.466% *  0.2197% (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 = 6.83, residual support = 119.7:
      O   HA    GLN  116 - HN    GLN  116   2.76 +/- 0.06  97.347% * 99.5202% (1.00  10.0   6.83 119.68) =  99.998%  kept
          HA    VAL   70 - HN    GLN  116  17.37 +/- 2.84   0.616% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    GLN  116  19.81 +/- 4.14   0.498% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  26.56 +/- 4.00   0.187% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  26.65 +/- 3.36   0.151% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  19.39 +/- 2.91   0.442% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  22.57 +/- 5.18   0.472% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  24.15 +/- 2.36   0.165% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  26.61 +/- 2.73   0.121% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.914, support = 7.09, residual support = 176.2:
      O   HA    LEU  115 - HN    LEU  115   2.81 +/- 0.05  66.074% * 60.5049% (1.00  10.0   7.79 224.46) =  76.244%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.59 +/- 0.05  31.752% * 39.2280% (0.65  10.0   4.85  21.22) =  23.755%  kept
          HA    ARG+  54 - HN    LEU  115  12.87 +/- 1.43   0.791% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LEU  115  22.83 +/- 3.58   0.304% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  22.84 +/- 2.92   0.170% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.49 +/- 1.20   0.297% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  26.20 +/- 4.55   0.342% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.80 +/- 1.58   0.128% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  22.30 +/- 1.87   0.144% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.65, residual support = 15.4:
      O   HA    SER  117 - HN    SER  117   2.76 +/- 0.06  98.598% * 99.4282% (0.38  10.0   3.65  15.42) =  99.997%  kept
          HA    ASP-  62 - HN    SER  117  13.79 +/- 1.06   0.848% *  0.2506% (0.95   1.0   0.02   0.02) =   0.002%
          HB    THR   26 - HN    SER  117  26.34 +/- 5.23   0.450% *  0.2025% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    SER  117  27.76 +/- 2.46   0.104% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.83, residual support = 52.7:
        T HN    ILE  119 - HN    ALA  120   2.65 +/- 0.21  99.083% * 99.2864% (0.83 10.00   5.83  52.74) =  99.997%  kept
        T HN    CYS   21 - HN    ALA  120  20.52 +/- 4.84   0.563% *  0.4963% (0.41 10.00   0.02   0.02) =   0.003%
          HN    SER   37 - HN    ALA  120  22.79 +/- 3.17   0.191% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  24.28 +/- 3.18   0.163% *  0.1105% (0.92  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 = 6.76, residual support = 54.6:
          HN    HIS  122 - HN    LYS+ 121   2.72 +/- 0.03  88.848% * 99.4562% (0.80   6.76  54.62) =  99.988%  kept
          QE    PHE   59 - HN    LYS+ 121   5.96 +/- 0.58   9.287% *  0.0734% (0.20   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    LYS+ 121  10.89 +/- 1.13   1.570% *  0.1786% (0.49   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LYS+ 121  22.55 +/- 6.29   0.295% *  0.2918% (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 = 6.27, residual support = 38.9:
          HN    LEU  123 - HN    HIS  122   2.15 +/- 0.09  95.965% * 91.2573% (0.26   6.29  39.06) =  99.669%  kept
          HN    ALA  124 - HN    HIS  122   6.55 +/- 0.11   3.423% *  8.4831% (0.09   1.70   0.02) =   0.330%  kept
          HE21  GLN   17 - HN    HIS  122  21.31 +/- 4.29   0.417% *  0.1363% (0.12   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HN    HIS  122  22.72 +/- 3.94   0.196% *  0.1233% (0.11   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 = 6.29, residual support = 39.1:
          HN    HIS  122 - HN    LEU  123   2.15 +/- 0.09  96.843% * 99.1914% (0.87   6.29  39.06) =  99.992%  kept
          QE    PHE   59 - HN    LEU  123   7.85 +/- 0.76   2.205% *  0.1913% (0.53   0.02   0.02) =   0.004%
          HN    PHE   59 - HN    LEU  123  11.76 +/- 1.83   0.847% *  0.3261% (0.90   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LEU  123  24.92 +/- 6.46   0.105% *  0.2912% (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 = 4.1, residual support = 11.9:
      O   HA    LEU  123 - HN    ALA  124   2.27 +/- 0.03  97.242% * 99.5133% (1.00  10.0   4.10  11.95) =  99.998%  kept
          HA    ILE   56 - HN    ALA  124  17.60 +/- 3.14   0.322% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  18.45 +/- 6.41   0.322% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  17.06 +/- 6.19   0.583% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  21.89 +/- 5.78   0.256% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.18 +/- 1.71   0.365% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  15.05 +/- 3.31   0.594% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  21.30 +/- 4.96   0.188% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  26.05 +/- 5.33   0.129% *  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 = 9.12:
      O   HA    ALA  124 - HN    ALA  124   2.75 +/- 0.19  97.514% * 99.5709% (1.00  10.0   1.80   9.12) =  99.999%  kept
          HA    LEU  115 - HN    ALA  124  15.08 +/- 0.95   0.639% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  21.26 +/- 3.68   0.290% *  0.1070% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  24.46 +/- 5.11   0.540% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  24.40 +/- 6.23   0.301% *  0.0761% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  20.91 +/- 5.20   0.412% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  31.89 +/- 3.77   0.072% *  0.0887% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  23.73 +/- 6.42   0.232% *  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 = 4.88, residual support = 39.1:
      O   HA    HIS  122 - HN    LEU  123   3.37 +/- 0.10  96.338% * 99.8702% (1.00  10.0   4.88  39.06) =  99.998%  kept
          HA    VAL   41 - HN    LEU  123  15.53 +/- 3.99   1.498% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    LEU  123  22.21 +/- 3.52   1.627% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  19.85 +/- 1.93   0.538% *  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 = 6.24, residual support = 204.0:
      O   HA    LEU  123 - HN    LEU  123   2.88 +/- 0.04  91.559% * 99.5133% (1.00  10.0   6.24 203.97) =  99.994%  kept
          HA    ILE   56 - HN    LEU  123  14.77 +/- 2.80   1.197% *  0.0989% (0.99   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    LEU  123  15.93 +/- 5.91   1.052% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  12.91 +/- 1.41   1.524% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    LEU  123  14.84 +/- 5.30   1.593% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  12.99 +/- 2.84   1.846% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    LEU  123  20.32 +/- 4.72   0.473% *  0.0978% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LEU  123  20.70 +/- 4.55   0.482% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  25.71 +/- 4.88   0.274% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.68, residual support = 75.8:
          HD2   HIS  122 - HN    HIS  122   2.73 +/- 0.43  95.541% * 97.2153% (0.11   6.68  75.84) =  99.981%  kept
          HE22  GLN  116 - HN    HIS  122   9.63 +/- 1.93   3.750% *  0.3217% (0.12   0.02   0.02) =   0.013%
          HE22  GLN   17 - HN    HIS  122  21.89 +/- 4.18   0.316% *  0.9244% (0.35   0.02   0.02) =   0.003%
          HE22  GLN   32 - HN    HIS  122  25.03 +/- 5.54   0.234% *  0.8180% (0.31   0.02   0.02) =   0.002%
          HE22  GLN   90 - HN    HIS  122  29.97 +/- 3.64   0.160% *  0.7207% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.25, residual support = 75.8:
      O   HA    HIS  122 - HN    HIS  122   2.92 +/- 0.02  98.132% * 99.8131% (0.30  10.0   5.25  75.84) =  99.998%  kept
          HA    VAL   41 - HN    HIS  122  14.04 +/- 3.91   1.418% *  0.1192% (0.35   1.0   0.02   0.02) =   0.002%
          HA    PHE   45 - HN    HIS  122  18.17 +/- 1.91   0.451% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.609, support = 5.18, residual support = 180.2:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  60.537% * 38.4533% (0.49  10.0   6.42 313.01) =  57.228%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.55 +/- 0.04  28.432% * 61.1842% (0.77  10.0   3.52   2.58) =  42.765%  kept
          QB    SER  117 - HN    LYS+ 121   5.70 +/- 0.73   8.458% *  0.0176% (0.22   1.0   0.02   0.02) =   0.004%
          HA2   GLY   16 - HN    LYS+ 121  20.49 +/- 5.35   1.088% *  0.0600% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    LYS+ 121  16.87 +/- 1.88   0.295% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.69 +/- 2.03   0.303% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  22.59 +/- 2.99   0.145% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  20.92 +/- 3.02   0.269% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  22.57 +/- 2.72   0.156% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  26.40 +/- 2.91   0.078% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  22.30 +/- 3.93   0.162% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  26.94 +/- 3.40   0.078% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.733, support = 3.58, residual support = 13.2:
      O   HA    ALA  120 - HN    ALA  120   2.78 +/- 0.06  72.086% * 90.6721% (0.74  10.0   3.58  13.32) =  98.462%  kept
          HA    LYS+ 121 - HN    ALA  120   5.15 +/- 0.18  11.652% *  8.0527% (0.35   1.0   3.79   2.58) =   1.413%  kept
          QB    SER  117 - HN    ALA  120   5.03 +/- 0.24  12.465% *  0.6358% (0.12   1.0   0.83   5.22) =   0.119%  kept
          HA2   GLY   16 - HN    ALA  120  20.99 +/- 5.43   1.735% *  0.1130% (0.92   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    ALA  120  16.47 +/- 1.77   0.393% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ALA  120  16.49 +/- 1.79   0.416% *  0.0508% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  19.71 +/- 2.98   0.333% *  0.0596% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  21.91 +/- 3.06   0.206% *  0.0641% (0.52   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  26.41 +/- 2.62   0.095% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.24 +/- 2.65   0.204% *  0.0349% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  23.71 +/- 3.35   0.153% *  0.0386% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  26.76 +/- 3.21   0.101% *  0.0349% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  23.14 +/- 3.15   0.162% *  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 591 (2.52, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.344, support = 3.43, residual support = 119.7:
      O   HG3   GLN  116 - HE22  GLN  116   3.64 +/- 0.46  45.185% * 62.0774% (0.41  10.0   3.23 119.68) =  58.541%  kept
      O   HG2   GLN  116 - HE22  GLN  116   3.44 +/- 0.63  52.756% * 37.6518% (0.25  10.0   3.71 119.68) =  41.456%  kept
          HB3   PHE   95 - HE22  GLN  116  12.80 +/- 1.74   1.341% *  0.0466% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   TRP   87 - HE22  GLN  116  23.82 +/- 3.57   0.512% *  0.0735% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HE22  GLN  116  30.80 +/- 7.01   0.205% *  0.1507% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.763, support = 4.18, residual support = 11.9:
          HB2   LEU  123 - HN    ALA  124   4.15 +/- 0.18  80.584% * 96.1904% (0.76   4.18  11.95) =  99.888%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.48 +/- 0.18   6.822% *  0.4372% (0.73   0.02   0.02) =   0.038%
          QD    LYS+  38 - HN    ALA  124  18.69 +/- 7.06   5.047% *  0.5695% (0.95   0.02   0.02) =   0.037%
          QD    LYS+  65 - HN    ALA  124  16.99 +/- 3.36   1.928% *  0.4601% (0.76   0.02   0.02) =   0.011%
          QD    LYS+ 102 - HN    ALA  124  20.74 +/- 6.19   1.163% *  0.5695% (0.95   0.02   0.02) =   0.009%
          HG3   PRO   93 - HN    ALA  124  22.89 +/- 3.31   0.805% *  0.4821% (0.80   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    ALA  124  21.69 +/- 3.05   1.054% *  0.2931% (0.49   0.02   0.02) =   0.004%
          HB3   MET   92 - HN    ALA  124  25.22 +/- 3.87   1.170% *  0.2260% (0.38   0.02   0.02) =   0.003%
          HB    VAL   83 - HN    ALA  124  29.85 +/- 4.46   0.281% *  0.5029% (0.84   0.02   0.02) =   0.002%
          HB2   LEU   73 - HN    ALA  124  22.61 +/- 2.86   0.597% *  0.1501% (0.25   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ALA  124  23.29 +/- 2.98   0.550% *  0.1191% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.07 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.8, residual support = 9.12:
      O   QB    ALA  124 - HN    ALA  124   2.23 +/- 0.29  96.678% * 98.5446% (0.65  10.0   1.80   9.12) =  99.997%  kept
          HB2   LYS+ 112 - HN    ALA  124  18.93 +/- 2.46   0.392% *  0.1293% (0.76   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA  124  16.20 +/- 3.76   0.358% *  0.0958% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA  124  14.95 +/- 2.75   0.535% *  0.0635% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.41 +/- 2.29   0.211% *  0.1517% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  25.87 +/- 3.35   0.205% *  0.1467% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  20.40 +/- 4.66   0.173% *  0.1467% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  20.11 +/- 5.25   0.195% *  0.1293% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  18.88 +/- 3.78   0.225% *  0.0958% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  23.07 +/- 6.34   0.159% *  0.1162% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.45 +/- 1.72   0.184% *  0.0823% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.38 +/- 2.75   0.134% *  0.1094% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  23.20 +/- 5.51   0.156% *  0.0823% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  23.97 +/- 4.43   0.170% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  23.17 +/- 4.51   0.162% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  30.34 +/- 4.84   0.064% *  0.0470% (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 = 0.974, support = 5.64, residual support = 26.7:
          HA    ALA  120 - HN    LEU  123   2.71 +/- 0.13  71.457% * 71.9135% (0.99   6.01  29.74) =  88.958%  kept
          HA    LYS+ 121 - HN    LEU  123   3.97 +/- 0.16  23.812% * 26.7624% (0.84   2.65   2.43) =  11.032%  kept
          QB    SER  117 - HN    LEU  123   8.70 +/- 0.51   2.274% *  0.1176% (0.49   0.02   0.02) =   0.005%
          HA2   GLY   16 - HN    LEU  123  19.18 +/- 4.91   0.538% *  0.1846% (0.76   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    LEU  123  16.65 +/- 2.85   0.400% *  0.1659% (0.69   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  19.01 +/- 2.22   0.245% *  0.2166% (0.90   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LEU  123  23.54 +/- 3.88   0.267% *  0.1846% (0.76   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LEU  123  23.58 +/- 3.57   0.161% *  0.2331% (0.97   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU  123  22.18 +/- 4.12   0.768% *  0.0373% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  28.15 +/- 3.24   0.078% *  0.1846% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.97, support = 5.07, residual support = 35.7:
          HB3   HIS  122 - HN    LEU  123   4.05 +/- 0.51  70.203% * 79.4370% (0.99   5.40  39.06) =  90.826%  kept
          QE    LYS+ 121 - HN    LEU  123   6.24 +/- 1.02  27.745% * 20.2960% (0.76   1.79   2.43) =   9.171%  kept
          HG2   GLN   30 - HN    LEU  123  21.13 +/- 4.61   1.138% *  0.0825% (0.28   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HN    LEU  123  27.18 +/- 3.40   0.336% *  0.1444% (0.49   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LEU  123  24.11 +/- 5.20   0.578% *  0.0401% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.79, residual support = 203.4:
          HG    LEU  123 - HN    LEU  123   3.59 +/- 0.35  70.837% * 94.7486% (0.76   5.81 203.97) =  99.708%  kept
          HB3   ASP- 105 - HN    LEU  123  11.74 +/- 5.49   5.901% *  2.4441% (0.76   0.15   0.02) =   0.214%  kept
          HB3   PRO   52 - HN    LEU  123  20.96 +/- 4.74   5.674% *  0.3262% (0.76   0.02   0.02) =   0.027%
          HG3   PRO   68 - HN    LEU  123  15.11 +/- 6.28   3.583% *  0.3703% (0.87   0.02   0.02) =   0.020%
          QB    LYS+  66 - HN    LEU  123  12.78 +/- 4.86   5.828% *  0.0845% (0.20   0.02   0.02) =   0.007%
          HB    ILE  103 - HN    LEU  123  18.33 +/- 4.89   0.864% *  0.3565% (0.84   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    LEU  123  14.97 +/- 3.79   1.458% *  0.1914% (0.45   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    LEU  123  20.55 +/- 3.41   0.583% *  0.3418% (0.80   0.02   0.02) =   0.003%
          HB    VAL   41 - HN    LEU  123  16.09 +/- 3.62   1.239% *  0.1456% (0.34   0.02   0.02) =   0.003%
          HG12  ILE  103 - HN    LEU  123  18.04 +/- 4.35   0.834% *  0.2078% (0.49   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    LEU  123  20.09 +/- 3.83   0.618% *  0.2761% (0.65   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    LEU  123  28.34 +/- 4.19   0.567% *  0.2417% (0.57   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU  123  14.45 +/- 2.93   1.821% *  0.0578% (0.14   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    LEU  123  27.28 +/- 2.48   0.191% *  0.2078% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.13 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 6.23, residual support = 200.3:
      O   HB2   LEU  123 - HN    LEU  123   2.35 +/- 0.23  87.072% * 85.1746% (0.76  10.0   6.28 203.97) =  98.168%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.07 +/- 0.11   9.727% * 14.2011% (0.73   1.0   3.51   2.43) =   1.829%  kept
          QD    LYS+  38 - HN    LEU  123  17.96 +/- 5.61   0.604% *  0.1054% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU  123  18.13 +/- 5.87   0.500% *  0.1054% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    LEU  123  15.58 +/- 2.46   0.409% *  0.0852% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  18.12 +/- 2.52   0.547% *  0.0542% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  19.44 +/- 2.88   0.319% *  0.0892% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.57 +/- 3.21   0.392% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  26.54 +/- 3.97   0.082% *  0.0931% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.96 +/- 2.84   0.200% *  0.0278% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  20.70 +/- 2.52   0.148% *  0.0221% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.861, support = 6.64, residual support = 203.9:
          QD1   LEU  123 - HN    LEU  123   2.65 +/- 0.63  66.734% * 84.8527% (0.90   6.65 203.97) =  95.128%  kept
          QD2   LEU  123 - HN    LEU  123   4.27 +/- 0.17  20.210% * 14.2098% (0.15   6.47 203.97) =   4.824%  kept
          QD1   LEU   71 - HN    LEU  123  14.44 +/- 4.40   3.786% *  0.2551% (0.90   0.02   0.02) =   0.016%
          HB3   LEU  104 - HN    LEU  123  13.59 +/- 6.49   3.063% *  0.2820% (0.99   0.02   0.02) =   0.015%
          QG1   VAL   70 - HN    LEU  123  10.68 +/- 4.38   3.663% *  0.1954% (0.69   0.02   0.02) =   0.012%
          QG1   VAL   18 - HN    LEU  123  14.86 +/- 3.20   1.299% *  0.1611% (0.57   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    LEU  123  12.47 +/- 3.61   1.246% *  0.0439% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 39.1:
          HB2   HIS  122 - HN    LEU  123   4.07 +/- 0.46  96.620% * 99.3368% (1.00   5.37  39.06) =  99.988%  kept
          HA    LYS+ 112 - HN    LEU  123  14.69 +/- 0.98   2.386% *  0.3316% (0.90   0.02   0.02) =   0.008%
          HB    THR   46 - HN    LEU  123  20.10 +/- 2.73   0.995% *  0.3316% (0.90   0.02   0.02) =   0.003%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.245, support = 6.99, residual support = 37.2:
      O   HA    LYS+ 121 - HN    HIS  122   3.51 +/- 0.03  46.563% * 65.7078% (0.20  10.0   7.42  54.62) =  66.876%  kept
          HA    ALA  120 - HN    HIS  122   3.56 +/- 0.21  45.050% * 33.6290% (0.33   1.0   6.13   2.00) =  33.115%  kept
          QB    SER  117 - HN    HIS  122   7.89 +/- 0.60   4.419% *  0.0289% (0.09   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    HIS  122  18.67 +/- 4.83   0.830% *  0.1120% (0.34   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    HIS  122  15.61 +/- 2.50   0.652% *  0.1071% (0.33   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    HIS  122  21.04 +/- 3.58   0.856% *  0.0396% (0.12   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  17.27 +/- 2.29   0.451% *  0.0751% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    HIS  122  22.37 +/- 3.34   0.252% *  0.0887% (0.27   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  22.52 +/- 3.39   0.370% *  0.0565% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  26.67 +/- 3.09   0.123% *  0.1120% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  21.22 +/- 4.19   0.310% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  27.56 +/- 3.60   0.122% *  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 = 0.259, support = 6.18, residual support = 13.9:
          HA    ILE  119 - HN    HIS  122   3.65 +/- 0.32  69.148% * 60.2951% (0.27   6.41  16.05) =  80.421%  kept
          HA    THR  118 - HN    HIS  122   5.38 +/- 0.53  25.922% * 39.1422% (0.21   5.24   4.95) =  19.571%  kept
          HD3   PRO   58 - HN    HIS  122  12.69 +/- 2.35   3.063% *  0.0684% (0.10   0.02   0.02) =   0.004%
          HA    VAL   75 - HN    HIS  122  19.49 +/- 1.83   0.545% *  0.1295% (0.19   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    HIS  122  25.53 +/- 3.42   0.352% *  0.1690% (0.24   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    HIS  122  17.69 +/- 1.88   0.700% *  0.0760% (0.11   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  24.84 +/- 3.08   0.270% *  0.1198% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.98, residual support = 75.8:
      O   HB2   HIS  122 - HN    HIS  122   3.31 +/- 0.56  91.745% * 99.5910% (0.11  10.0   5.98  75.84) =  99.992%  kept
          HA    LEU   63 - HN    HIS  122  11.12 +/- 3.52   5.917% *  0.0565% (0.06   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 112 - HN    HIS  122  13.58 +/- 0.73   1.630% *  0.1827% (0.20   1.0   0.02   0.02) =   0.003%
          HB2   HIS   22 - HN    HIS  122  24.22 +/- 5.27   0.709% *  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 = 0.318, support = 6.63, residual support = 74.3:
      O   HB3   HIS  122 - HN    HIS  122   3.04 +/- 0.40  72.304% * 82.7334% (0.33  10.0   6.65  75.84) =  92.915%  kept
          QE    LYS+ 121 - HN    HIS  122   5.35 +/- 1.04  26.530% * 17.1929% (0.21   1.0   6.33  54.62) =   7.085%  kept
          HG2   GLN   30 - HN    HIS  122  19.86 +/- 4.60   1.002% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  25.59 +/- 2.97   0.164% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.307, support = 7.3, residual support = 52.0:
          HB2   LYS+ 121 - HN    HIS  122   3.33 +/- 0.18  58.726% * 73.0253% (0.33   7.70  54.62) =  83.365%  kept
          HB2   LEU  123 - HN    HIS  122   4.12 +/- 0.27  33.012% * 25.8986% (0.17   5.30  39.06) =  16.620%  kept
          QD    LYS+  65 - HN    HIS  122  14.77 +/- 2.20   0.876% *  0.1936% (0.34   0.02   0.02) =   0.003%
          QD    LYS+  38 - HN    HIS  122  17.47 +/- 5.17   0.802% *  0.1988% (0.35   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HN    HIS  122  16.98 +/- 5.86   0.910% *  0.1457% (0.26   0.02   0.02) =   0.003%
          QB    ALA   57 - HN    HIS  122  12.45 +/- 2.37   2.243% *  0.0351% (0.06   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    HIS  122  18.01 +/- 2.64   0.699% *  0.1055% (0.19   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    HIS  122  17.14 +/- 2.26   0.735% *  0.0500% (0.09   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  24.80 +/- 3.96   0.180% *  0.1988% (0.35   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    HIS  122  19.20 +/- 2.40   0.374% *  0.0825% (0.15   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    HIS  122  17.41 +/- 2.54   0.816% *  0.0310% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  20.02 +/- 2.77   0.627% *  0.0351% (0.06   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 = 0.299, support = 6.65, residual support = 54.6:
          HB3   LYS+ 121 - HN    HIS  122   3.86 +/- 0.36  51.233% * 67.6321% (0.35   6.49  54.62) =  76.413%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.68 +/- 0.69  33.978% * 31.4118% (0.15   7.19  54.62) =  23.538%  kept
          HG    LEU  104 - HN    HIS  122  13.42 +/- 6.73   4.167% *  0.2084% (0.35   0.02   0.02) =   0.019%
          QD    LYS+  66 - HN    HIS  122  12.80 +/- 4.51   4.560% *  0.1702% (0.28   0.02   0.02) =   0.017%
          HB3   LYS+ 111 - HN    HIS  122  14.86 +/- 1.74   1.107% *  0.1962% (0.33   0.02   0.02) =   0.005%
          QG2   THR   26 - HN    HIS  122  18.64 +/- 4.30   3.031% *  0.0591% (0.10   0.02   0.02) =   0.004%
          HD3   LYS+  74 - HN    HIS  122  19.53 +/- 2.79   0.462% *  0.1906% (0.32   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    HIS  122  16.08 +/- 2.24   0.770% *  0.0725% (0.12   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    HIS  122  20.52 +/- 4.55   0.691% *  0.0591% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.32, residual support = 39.0:
          QD1   LEU  123 - HN    HIS  122   3.28 +/- 0.74  60.607% * 98.4922% (0.31   6.33  39.06) =  99.818%  kept
          QD1   LEU   71 - HN    HIS  122  13.57 +/- 4.35  12.745% *  0.3111% (0.31   0.02   0.02) =   0.066%
          QG1   VAL   70 - HN    HIS  122   9.79 +/- 4.21   8.734% *  0.3554% (0.35   0.02   0.02) =   0.052%
          HB3   LEU  104 - HN    HIS  122  12.12 +/- 6.62  11.648% *  0.1887% (0.19   0.02   0.02) =   0.037%
          QG1   VAL   18 - HN    HIS  122  14.07 +/- 2.85   2.405% *  0.3578% (0.35   0.02   0.02) =   0.014%
          HB3   LEU   63 - HN    HIS  122  11.23 +/- 3.66   3.140% *  0.2320% (0.23   0.02   0.02) =   0.012%
          QG1   VAL  108 - HN    HIS  122  15.51 +/- 2.21   0.720% *  0.0628% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.10 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.551, support = 3.54, residual support = 7.31:
          HA    ILE  119 - HN    LYS+ 121   3.94 +/- 0.24  38.227% * 61.5300% (0.61   3.99   7.60) =  51.505%  kept
          HA    THR  118 - HN    LYS+ 121   3.34 +/- 0.41  58.972% * 37.5469% (0.49   3.07   7.00) =  48.486%  kept
          HD3   PRO   58 - HN    LYS+ 121  12.80 +/- 1.77   1.509% *  0.1123% (0.22   0.02   0.02) =   0.004%
          HA2   GLY  109 - HN    LYS+ 121  15.84 +/- 2.02   0.629% *  0.1246% (0.25   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    LYS+ 121  20.03 +/- 1.56   0.282% *  0.2124% (0.42   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    LYS+ 121  25.55 +/- 2.88   0.206% *  0.2773% (0.55   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    LYS+ 121  24.52 +/- 2.83   0.174% *  0.1965% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.756, support = 6.9, residual support = 310.7:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.34 +/- 0.37  85.293% * 93.6763% (0.76  10.0   6.93 313.01) =  99.246%  kept
          HB2   LEU  123 - HN    LYS+ 121   4.92 +/- 0.26  10.449% *  5.7924% (0.39   1.0   2.40   2.43) =   0.752%  kept
          QD    LYS+ 102 - HN    LYS+ 121  16.87 +/- 5.49   0.737% *  0.0719% (0.58   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    LYS+ 121  15.80 +/- 1.85   0.351% *  0.0956% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  18.62 +/- 4.49   0.289% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  17.33 +/- 2.32   0.329% *  0.0521% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  12.73 +/- 1.90   0.961% *  0.0173% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  15.31 +/- 2.09   0.490% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  24.80 +/- 3.72   0.103% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  15.55 +/- 2.36   0.521% *  0.0153% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  20.04 +/- 2.38   0.174% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.19 +/- 2.61   0.301% *  0.0173% (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 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.556, support = 5.48, residual support = 249.5:
          HD2   LYS+ 121 - HN    LYS+ 121   3.36 +/- 0.84  42.306% * 81.9088% (0.64   5.99 313.01) =  79.545%  kept
          QB    ALA  120 - HN    LYS+ 121   2.88 +/- 0.12  53.196% * 16.7371% (0.22   3.52   2.58) =  20.438%  kept
          QG2   THR   26 - HN    LYS+ 121  19.75 +/- 4.20   0.584% *  0.3153% (0.74   0.02   0.02) =   0.004%
          QD    LYS+  66 - HN    LYS+ 121  14.10 +/- 4.12   1.112% *  0.1404% (0.33   0.02   0.02) =   0.004%
          HG    LEU  115 - HN    LYS+ 121   9.72 +/- 1.13   1.588% *  0.0950% (0.22   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    LYS+ 121  14.34 +/- 4.61   0.782% *  0.1663% (0.39   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    LYS+ 121  17.21 +/- 1.77   0.260% *  0.2963% (0.70   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HN    LYS+ 121  20.23 +/- 2.18   0.171% *  0.3408% (0.80   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 = 5.78, residual support = 308.4:
          HG2   LYS+ 121 - HN    LYS+ 121   4.16 +/- 0.19  67.559% * 94.5759% (0.77   5.85 313.01) =  98.505%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.26 +/- 0.38  20.348% *  4.5998% (0.16   1.39   7.60) =   1.443%  kept
          QG2   VAL  107 - HN    LYS+ 121   9.38 +/- 2.36   7.929% *  0.3321% (0.79   0.02   0.02) =   0.041%
          HG13  ILE  103 - HN    LYS+ 121  16.00 +/- 3.78   1.635% *  0.2168% (0.52   0.02   0.02) =   0.005%
          QB    ALA   20 - HN    LYS+ 121  18.82 +/- 3.58   1.605% *  0.2168% (0.52   0.02   0.02) =   0.005%
          HB3   LEU   31 - HN    LYS+ 121  19.23 +/- 3.58   0.924% *  0.0587% (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 = 0.698, support = 2.11, residual support = 2.42:
          QD1   LEU  123 - HN    LYS+ 121   4.51 +/- 0.34  48.768% * 87.9817% (0.72   2.15   2.43) =  96.133%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.49 +/- 0.29  16.547% *  9.0151% (0.12   1.28   2.43) =   3.342%  kept
          HB3   LEU  104 - HN    LYS+ 121  12.06 +/- 6.05  10.176% *  0.9033% (0.79   0.02   0.02) =   0.206%  kept
          QD1   LEU   71 - HN    LYS+ 121  14.86 +/- 4.04   8.109% *  0.8173% (0.72   0.02   0.02) =   0.148%  kept
          QG1   VAL   70 - HN    LYS+ 121  11.14 +/- 3.70   6.995% *  0.6260% (0.55   0.02   0.02) =   0.098%
          QG1   VAL   18 - HN    LYS+ 121  15.30 +/- 3.05   5.113% *  0.5160% (0.45   0.02   0.02) =   0.059%
          HB3   LEU   63 - HN    LYS+ 121  12.32 +/- 3.62   4.293% *  0.1406% (0.12   0.02   0.02) =   0.014%
    Distance limit 4.24 A violated in 0 structures by 0.14 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   2.98 +/- 0.31  90.049% * 97.5275% (0.90   5.14  52.74) =  99.974%  kept
          HG3   GLN   30 - HN    ALA  120  21.87 +/- 4.41   1.436% *  0.3663% (0.87   0.02   0.02) =   0.006%
          HB2   GLN   30 - HN    ALA  120  20.86 +/- 4.10   1.129% *  0.3795% (0.90   0.02   0.02) =   0.005%
          HB    VAL  108 - HN    ALA  120  15.44 +/- 2.44   0.892% *  0.3234% (0.77   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    ALA  120  12.37 +/- 1.72   1.880% *  0.1195% (0.28   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    ALA  120  17.59 +/- 4.45   0.699% *  0.2349% (0.56   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ALA  120  20.96 +/- 4.40   0.408% *  0.3863% (0.92   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    ALA  120  15.45 +/- 2.09   0.844% *  0.1736% (0.41   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    ALA  120  18.21 +/- 2.08   0.482% *  0.2959% (0.71   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    ALA  120  21.48 +/- 4.41   1.110% *  0.0966% (0.23   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ALA  120  21.05 +/- 4.58   1.071% *  0.0966% (0.23   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 3.99, residual support = 13.1:
      O   QB    ALA  120 - HN    ALA  120   2.05 +/- 0.08  88.327% * 83.5798% (0.49  10.0   3.99  13.32) =  98.374%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.38 +/- 1.15   7.701% * 15.8071% (0.49   1.0   3.78   2.58) =   1.622%  kept
          HG    LEU  115 - HN    ALA  120   8.38 +/- 1.13   1.710% *  0.0836% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    ALA  120  15.36 +/- 3.95   0.389% *  0.1214% (0.71   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HN    ALA  120  20.40 +/- 4.14   0.290% *  0.1091% (0.63   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  13.50 +/- 3.91   0.654% *  0.0314% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  16.58 +/- 1.74   0.184% *  0.0964% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  20.21 +/- 2.69   0.118% *  0.1466% (0.85   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  15.26 +/- 5.14   0.627% *  0.0245% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.485, support = 5.74, residual support = 52.7:
          QG2   ILE  119 - HN    ALA  120   2.97 +/- 0.70  84.814% * 96.6825% (0.49   5.75  52.74) =  99.906%  kept
          QD2   LEU   71 - HN    ALA  120  15.16 +/- 3.73   4.980% *  0.5343% (0.77   0.02   0.02) =   0.032%
          QD1   LEU   67 - HN    ALA  120  12.60 +/- 4.15   3.447% *  0.5122% (0.74   0.02   0.02) =   0.022%
          QD2   LEU   40 - HN    ALA  120  11.42 +/- 3.39   2.645% *  0.4889% (0.71   0.02   0.02) =   0.016%
          QG2   ILE  103 - HN    ALA  120  13.16 +/- 3.04   1.691% *  0.5737% (0.83   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HN    ALA  120  19.55 +/- 3.17   0.928% *  0.6173% (0.89   0.02   0.02) =   0.007%
          QD1   ILE  103 - HN    ALA  120  15.33 +/- 2.42   0.898% *  0.4645% (0.67   0.02   0.02) =   0.005%
          HB    VAL   75 - HN    ALA  120  17.72 +/- 1.60   0.598% *  0.1266% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.251, support = 2.78, residual support = 15.4:
      O   QB    SER  117 - HN    SER  117   2.17 +/- 0.13  93.798% * 88.3825% (0.25  10.0   2.79  15.42) =  99.723%  kept
          HA    ALA  120 - HN    SER  117   7.65 +/- 0.68   2.334% *  9.4797% (0.95   1.0   0.57   5.22) =   0.266%  kept
          HA    LYS+ 121 - HN    SER  117   8.94 +/- 0.84   1.564% *  0.2007% (0.57   1.0   0.02   0.02) =   0.004%
          HA2   GLY   16 - HN    SER  117  23.70 +/- 5.94   0.901% *  0.3421% (0.97   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    SER  117  14.22 +/- 1.27   0.374% *  0.2293% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER  117  17.61 +/- 1.07   0.196% *  0.3272% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    SER  117  20.41 +/- 2.77   0.183% *  0.2709% (0.76   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    SER  117  17.43 +/- 2.37   0.253% *  0.1209% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.29 +/- 2.09   0.158% *  0.1725% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  24.52 +/- 2.11   0.074% *  0.3421% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  24.15 +/- 2.64   0.089% *  0.0621% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  25.34 +/- 3.24   0.075% *  0.0701% (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 = 0.383, support = 5.5, residual support = 28.7:
          HG3   GLN  116 - HN    SER  117   4.72 +/- 0.57  39.988% * 69.1547% (0.49   5.38  28.66) =  64.134%  kept
          HG2   GLN  116 - HN    SER  117   4.28 +/- 1.15  51.675% * 29.8965% (0.20   5.72  28.66) =  35.829%  kept
          HB3   PHE   95 - HN    SER  117   9.45 +/- 1.50   6.623% *  0.1318% (0.25   0.02   0.02) =   0.020%
          HG2   GLU-  25 - HN    SER  117  29.08 +/- 5.93   1.003% *  0.5179% (0.98   0.02   0.02) =   0.012%
          HB3   TRP   87 - HN    SER  117  20.47 +/- 2.98   0.710% *  0.2992% (0.57   0.02   0.02) =   0.005%
    Distance limit 4.23 A violated in 0 structures by 0.10 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.91, residual support = 28.7:
          HB2   GLN  116 - HN    SER  117   3.40 +/- 0.40  92.262% * 98.7770% (0.97   4.91  28.66) =  99.971%  kept
          HB3   PHE   97 - HN    SER  117  11.80 +/- 2.44   3.064% *  0.4172% (1.00   0.02   0.02) =   0.014%
          HB2   PRO   58 - HN    SER  117  10.72 +/- 2.06   3.919% *  0.3029% (0.73   0.02   0.02) =   0.013%
          HB2   GLU- 100 - HN    SER  117  22.26 +/- 2.49   0.396% *  0.3741% (0.90   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    SER  117  23.04 +/- 2.35   0.360% *  0.1288% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.20 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 7.14, residual support = 118.9:
          HG2   GLN  116 - HN    GLN  116   3.35 +/- 0.73  90.485% * 93.3214% (0.73   7.19 119.68) =  99.359%  kept
          HB3   PHE   95 - HN    GLN  116   8.51 +/- 1.19   8.438% *  6.4188% (0.80   0.45   0.02) =   0.637%  kept
          HG2   GLU-  25 - HN    GLN  116  28.58 +/- 5.29   1.077% *  0.2597% (0.73   0.02   0.02) =   0.003%
    Distance limit 3.79 A violated in 0 structures by 0.14 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.41, residual support = 119.7:
      O   HB2   GLN  116 - HN    GLN  116   2.24 +/- 0.16  94.145% * 99.6757% (0.98  10.0   7.41 119.68) =  99.997%  kept
          HB2   PRO   58 - HN    GLN  116   9.28 +/- 2.14   4.809% *  0.0456% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    GLN  116  12.15 +/- 1.79   0.731% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    GLN  116  22.95 +/- 1.65   0.097% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  21.68 +/- 2.28   0.118% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  24.55 +/- 3.04   0.100% *  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 = 0.778, support = 7.01, residual support = 80.7:
          HB2   LEU  115 - HN    GLN  116   3.52 +/- 0.52  52.141% * 64.1990% (0.80   7.55  99.74) =  80.501%  kept
          QB    GLU- 114 - HN    GLN  116   4.92 +/- 0.39  23.118% * 34.9652% (0.69   4.79   1.87) =  19.440%  kept
          HG3   PRO   58 - HN    GLN  116   9.12 +/- 2.21   9.466% *  0.1774% (0.84   0.02   0.02) =   0.040%
          HB2   LYS+ 111 - HN    GLN  116   6.92 +/- 1.31  11.099% *  0.0328% (0.15   0.02   0.02) =   0.009%
          HB    ILE   19 - HN    GLN  116  20.88 +/- 3.87   0.885% *  0.1623% (0.76   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    GLN  116  18.21 +/- 3.30   0.545% *  0.1774% (0.84   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    GLN  116  28.02 +/- 5.43   0.856% *  0.0724% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  16.36 +/- 2.71   0.675% *  0.0873% (0.41   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLN  116  19.65 +/- 4.49   0.557% *  0.0420% (0.20   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    GLN  116  23.27 +/- 4.63   0.363% *  0.0420% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  23.05 +/- 4.19   0.294% *  0.0420% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.15 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.856, support = 8.43, residual support = 98.1:
          HB3   LEU  115 - HN    GLN  116   3.85 +/- 0.53  37.673% * 52.8736% (0.98   8.55  99.74) =  51.233%  kept
          HG    LEU  115 - HN    GLN  116   3.54 +/- 1.00  46.762% * 39.1387% (0.73   8.54  99.74) =  47.074%  kept
          QB    ALA  120 - HN    GLN  116   6.83 +/- 0.99   8.780% *  7.4429% (0.73   1.62   0.18) =   1.681%  kept
          HG    LEU   73 - HN    GLN  116  17.83 +/- 6.24   2.831% *  0.0714% (0.57   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    GLN  116  16.22 +/- 3.46   0.717% *  0.1262% (1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    GLN  116  15.87 +/- 2.06   0.639% *  0.1237% (0.98   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    GLN  116  13.76 +/- 2.21   1.270% *  0.0474% (0.38   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN  116  17.44 +/- 2.33   0.463% *  0.0614% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN  116  16.63 +/- 3.00   0.665% *  0.0281% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.08 +/- 2.41   0.199% *  0.0867% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.79, residual support = 99.7:
          QD1   LEU  115 - HN    GLN  116   3.86 +/- 0.94  96.691% * 99.6388% (0.49   7.79  99.74) =  99.988%  kept
          QG1   VAL   75 - HN    GLN  116  13.46 +/- 1.46   3.309% *  0.3612% (0.69   0.02   0.02) =   0.012%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.569, support = 10.0, residual support = 98.7:
          QD2   LEU  115 - HN    GLN  116   2.71 +/- 0.85  71.821% * 93.1150% (0.57  10.14  99.74) =  98.932%  kept
          QD1   LEU   63 - HN    GLN  116   9.03 +/- 2.35  11.629% *  5.8624% (0.90   0.40   0.02) =   1.009%  kept
          QD1   LEU   73 - HN    GLN  116  15.15 +/- 5.30   7.011% *  0.2908% (0.90   0.02   0.02) =   0.030%
          QD2   LEU   63 - HN    GLN  116   9.88 +/- 2.11   6.059% *  0.2709% (0.84   0.02   0.02) =   0.024%
          QD1   LEU  104 - HN    GLN  116  13.84 +/- 1.97   1.052% *  0.1001% (0.31   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    GLN  116  15.26 +/- 1.62   0.889% *  0.0902% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN  116  20.00 +/- 2.69   0.433% *  0.1706% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  15.19 +/- 1.06   0.647% *  0.0500% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  20.45 +/- 3.07   0.458% *  0.0500% (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 = 0.714, support = 2.06, residual support = 15.1:
          QD1   ILE  119 - HN    GLN  116   4.84 +/- 0.78  54.977% * 92.4367% (0.73   2.13  15.67) =  96.222%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.82 +/- 0.90  36.294% *  5.2128% (0.38   0.23   0.02) =   3.582%  kept
          QG2   VAL  108 - HN    GLN  116  10.30 +/- 1.18   6.476% *  1.1961% (1.00   0.02   0.02) =   0.147%  kept
          HB2   LEU  104 - HN    GLN  116  14.93 +/- 2.17   2.253% *  1.1543% (0.97   0.02   0.02) =   0.049%
    Distance limit 4.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 1.01, residual support = 2.31:
          HA    LYS+ 112 - HN    LEU  115   3.44 +/- 0.61  93.655% * 71.0230% (0.90   1.02   2.34) =  98.641%  kept
          HB2   HIS  122 - HN    LEU  115  13.21 +/- 1.08   3.161% * 27.5862% (1.00   0.36   0.02) =   1.293%  kept
          HB    THR   46 - HN    LEU  115  14.01 +/- 2.30   3.184% *  1.3908% (0.90   0.02   0.02) =   0.066%
    Distance limit 4.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.259, support = 4.8, residual support = 93.4:
          HB2   GLN  116 - HN    LEU  115   4.62 +/- 0.23  73.375% * 67.9369% (0.22   5.09  99.74) =  93.594%  kept
          HB2   PRO   58 - HN    LEU  115  10.70 +/- 2.03  11.139% * 29.9709% (0.80   0.62   0.02) =   6.268%  kept
          HG2   PRO   52 - HN    LEU  115  13.29 +/- 2.29   6.950% *  0.5376% (0.45   0.02   0.02) =   0.070%
          HB3   PHE   97 - HN    LEU  115  11.58 +/- 1.63   5.874% *  0.4090% (0.34   0.02   0.02) =   0.045%
          HG3   GLU-  25 - HN    LEU  115  28.94 +/- 5.04   1.152% *  0.7757% (0.65   0.02   0.02) =   0.017%
          HB2   GLU-  79 - HN    LEU  115  21.31 +/- 2.08   0.840% *  0.1850% (0.15   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HN    LEU  115  22.74 +/- 1.44   0.669% *  0.1850% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.36 A violated in 0 structures by 0.26 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.787, support = 7.13, residual support = 199.8:
      O   HB2   LEU  115 - HN    LEU  115   2.40 +/- 0.37  54.635% * 79.5202% (0.80  10.0   7.34 224.46) =  87.849%  kept
          QB    GLU- 114 - HN    LEU  115   3.06 +/- 0.43  31.196% * 19.2197% (0.69   1.0   5.63  21.22) =  12.124%  kept
          HG3   PRO   58 - HN    LEU  115  10.48 +/- 2.04   1.138% *  0.9523% (0.84   1.0   0.23   0.02) =   0.022%
          HB2   LYS+ 111 - HN    LEU  115   5.34 +/- 1.39  11.547% *  0.0153% (0.15   1.0   0.02   0.02) =   0.004%
          HG2   PRO   68 - HN    LEU  115  19.01 +/- 3.26   0.291% *  0.0829% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.02 +/- 3.76   0.254% *  0.0759% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.78 +/- 2.60   0.248% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  27.54 +/- 5.20   0.298% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  20.13 +/- 4.66   0.176% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  23.73 +/- 4.85   0.125% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  23.61 +/- 4.22   0.092% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.932, support = 7.51, residual support = 224.4:
      O   HB3   LEU  115 - HN    LEU  115   3.15 +/- 0.45  49.914% * 78.0615% (0.98  10.0   7.53 224.46) =  81.222%  kept
          HG    LEU  115 - HN    LEU  115   3.51 +/- 0.88  41.808% * 21.5368% (0.73   1.0   7.45 224.46) =  18.770%  kept
          QB    ALA  120 - HN    LEU  115   8.36 +/- 0.85   2.614% *  0.0578% (0.73   1.0   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LEU  115  17.36 +/- 6.23   2.968% *  0.0451% (0.57   1.0   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    LEU  115  15.97 +/- 1.94   0.510% *  0.0781% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU  115  16.70 +/- 3.30   0.460% *  0.0796% (1.00   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU  115  14.63 +/- 2.37   0.714% *  0.0299% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  17.60 +/- 2.36   0.372% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.39 +/- 2.13   0.171% *  0.0547% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.03 +/- 2.91   0.469% *  0.0177% (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 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 1.64, residual support = 7.29:
          QG2   VAL  107 - HN    LEU  115   3.71 +/- 1.52  62.117% * 51.6646% (0.53   1.76   7.49) =  86.142%  kept
          HG13  ILE  119 - HN    LEU  115   7.94 +/- 1.11   8.862% * 37.7673% (0.73   0.93   8.05) =   8.984%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.59 +/- 1.03  23.046% *  7.6634% (0.15   0.89   2.34) =   4.741%  kept
          QB    ALA   20 - HN    LEU  115  19.30 +/- 3.37   2.334% *  1.1133% (1.00   0.02   0.02) =   0.070%
          HG2   LYS+ 121 - HN    LEU  115  11.91 +/- 1.63   2.029% *  0.8527% (0.76   0.02   0.02) =   0.046%
          HB3   LEU   31 - HN    LEU  115  21.32 +/- 2.52   0.635% *  0.7665% (0.69   0.02   0.02) =   0.013%
          HG13  ILE  103 - HN    LEU  115  15.93 +/- 1.69   0.978% *  0.1722% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.91 A violated in 0 structures by 0.12 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 8.91, residual support = 224.0:
          QD2   LEU  115 - HN    LEU  115   3.26 +/- 0.94  73.351% * 97.4744% (0.65   8.93 224.46) =  99.815%  kept
          QD1   LEU   63 - HN    LEU  115   9.50 +/- 2.49   7.283% *  1.4523% (0.31   0.28   0.02) =   0.148%  kept
          QD1   LEU   73 - HN    LEU  115  14.60 +/- 5.40  13.918% *  0.1042% (0.31   0.02   0.02) =   0.020%
          QD1   LEU  104 - HN    LEU  115  13.76 +/- 1.80   1.504% *  0.3027% (0.90   0.02   0.02) =   0.006%
          QG1   VAL   83 - HN    LEU  115  17.18 +/- 2.79   1.185% *  0.3193% (0.95   0.02   0.02) =   0.005%
          QG2   ILE   89 - HN    LEU  115  13.40 +/- 2.07   1.876% *  0.1151% (0.34   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    LEU  115  19.04 +/- 2.52   0.882% *  0.2319% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.4, residual support = 224.4:
          QD1   LEU  115 - HN    LEU  115   3.58 +/- 0.65  97.147% * 99.6819% (0.80   7.40 224.46) =  99.991%  kept
          QG1   VAL   75 - HN    LEU  115  12.64 +/- 1.17   2.853% *  0.3181% (0.95   0.02   0.02) =   0.009%
    Distance limit 4.58 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 = 0.597, support = 6.78, residual support = 138.8:
      O   HB    ILE  103 - HN    ILE  103   2.45 +/- 0.42  55.843% * 65.0758% (0.53  10.0   6.73 138.77) =  74.193%  kept
          HG12  ILE  103 - HN    ILE  103   3.09 +/- 0.64  36.944% * 34.2044% (0.80   1.0   6.91 138.77) =  25.799%  kept
          HB    VAL   41 - HN    ILE  103   8.26 +/- 2.13   2.465% *  0.0800% (0.65   1.0   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    ILE  103   8.55 +/- 0.65   1.575% *  0.0555% (0.45   1.0   0.02   3.32) =   0.002%
          QB    LYS+ 106 - HN    ILE  103   8.08 +/- 1.13   1.657% *  0.0245% (0.20   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ILE  103  13.86 +/- 2.17   0.642% *  0.0422% (0.34   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ILE  103  20.83 +/- 4.28   0.119% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  21.33 +/- 3.39   0.119% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  19.52 +/- 2.65   0.141% *  0.0555% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.78 +/- 1.63   0.057% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.34 +/- 3.65   0.175% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  26.39 +/- 2.82   0.059% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.03 +/- 0.99   0.120% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  23.66 +/- 3.11   0.084% *  0.0344% (0.28   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   3.67 +/- 0.56  73.629% * 98.5440% (0.65   6.23 138.77) =  99.937%  kept
          HB3   LEU   31 - HN    ILE  103  10.35 +/- 5.35  19.380% *  0.0857% (0.18   0.02   0.02) =   0.023%
          HG2   LYS+ 121 - HN    ILE  103  15.39 +/- 6.84   2.832% *  0.4721% (0.97   0.02   0.02) =   0.018%
          QG2   VAL  107 - HN    ILE  103  12.25 +/- 0.90   2.348% *  0.4849% (0.99   0.02   0.02) =   0.016%
          QB    ALA   20 - HN    ILE  103  17.74 +/- 2.99   1.032% *  0.3165% (0.65   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    ILE  103  18.23 +/- 3.20   0.779% *  0.0968% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.07 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 6.19, residual support = 138.7:
          QG2   ILE  103 - HN    ILE  103   3.66 +/- 0.22  37.246% * 71.1498% (1.00   6.48 138.77) =  63.599%  kept
          QD1   ILE  103 - HN    ILE  103   3.07 +/- 0.84  54.247% * 27.9324% (0.45   5.68 138.77) =  36.365%  kept
          QD2   LEU   40 - HN    ILE  103   8.02 +/- 0.97   4.543% *  0.2119% (0.97   0.02   0.02) =   0.023%
          QD1   LEU   67 - HN    ILE  103  14.36 +/- 2.89   0.983% *  0.2152% (0.98   0.02   0.02) =   0.005%
          QD2   LEU   71 - HN    ILE  103  13.05 +/- 2.88   1.487% *  0.1243% (0.57   0.02   0.02) =   0.004%
          HB    VAL   75 - HN    ILE  103  14.75 +/- 2.08   0.710% *  0.0903% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    ILE  103  19.02 +/- 1.87   0.272% *  0.2152% (0.98   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  16.28 +/- 2.93   0.514% *  0.0610% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.468, support = 6.94, residual support = 197.8:
          HG    LEU  104 - HN    LEU  104   3.44 +/- 0.74  69.479% * 74.8563% (0.45   7.43 215.45) =  91.780%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.43 +/- 1.23  19.601% * 23.6252% (0.69   1.53   0.39) =   8.172%  kept
          HB3   LYS+ 121 - HN    LEU  104  11.54 +/- 6.19   7.521% *  0.2016% (0.45   0.02   0.02) =   0.027%
          HG2   LYS+  33 - HN    LEU  104  14.96 +/- 2.35   1.557% *  0.4457% (0.99   0.02   0.02) =   0.012%
          QG    LYS+  81 - HN    LEU  104  21.28 +/- 3.10   0.516% *  0.3437% (0.76   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    LEU  104  18.51 +/- 1.77   0.642% *  0.2728% (0.61   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HN    LEU  104  17.71 +/- 1.99   0.683% *  0.2546% (0.57   0.02   0.02) =   0.003%
    Distance limit 3.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.26, support = 7.13, residual support = 159.0:
      O   HB2   LEU  104 - HN    LEU  104   2.68 +/- 0.49  48.432% * 65.9334% (0.22  10.0   7.38 215.45) =  68.263%  kept
          QG2   ILE  103 - HN    LEU  104   2.77 +/- 0.62  44.582% * 33.2782% (0.34   1.0   6.59  37.64) =  31.715%  kept
          QD2   LEU   40 - HN    LEU  104   5.95 +/- 0.96   5.120% *  0.1442% (0.49   1.0   0.02   0.02) =   0.016%
          HB    VAL   75 - HN    LEU  104  13.68 +/- 2.08   0.428% *  0.2935% (0.99   1.0   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    LEU  104  12.35 +/- 3.20   0.689% *  0.1328% (0.45   1.0   0.02   0.02) =   0.002%
          QD1   ILE  119 - HN    LEU  104  13.17 +/- 2.69   0.574% *  0.1442% (0.49   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    LEU  104  17.83 +/- 1.53   0.175% *  0.0738% (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 = 0.776, support = 7.26, residual support = 171.1:
          QD2   LEU  104 - HN    LEU  104   2.95 +/- 0.73  66.355% * 63.3278% (0.80   7.82 215.45) =  78.398%  kept
          QD1   LEU   98 - HN    LEU  104   4.15 +/- 0.62  31.776% * 36.4338% (0.69   5.24  10.08) =  21.599%  kept
          QD1   ILE   19 - HN    LEU  104  14.59 +/- 2.36   0.738% *  0.1309% (0.65   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    LEU  104  15.31 +/- 1.58   0.592% *  0.0624% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU  104  16.24 +/- 2.91   0.539% *  0.0450% (0.22   0.02   0.02) =   0.000%
    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 = 0.657, support = 7.62, residual support = 56.8:
          HB2   PHE   97 - HN    ASP- 105   2.76 +/- 0.70  68.285% * 71.8984% (0.69   7.81  59.75) =  92.339%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.45 +/- 0.95  19.001% * 19.4778% (0.25   5.83  23.72) =   6.961%  kept
          QE    LYS+  99 - HN    ASP- 105   8.15 +/- 1.01   4.445% *  6.3173% (0.90   0.53   0.57) =   0.528%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.05 +/- 1.61   4.539% *  1.9019% (0.41   0.35   0.02) =   0.162%  kept
          QE    LYS+  38 - HN    ASP- 105  14.37 +/- 2.29   1.316% *  0.1735% (0.65   0.02   0.02) =   0.004%
          HB3   TRP   27 - HN    ASP- 105  16.05 +/- 3.09   1.039% *  0.1947% (0.73   0.02   0.02) =   0.004%
          HB3   PHE   60 - HN    ASP- 105  15.37 +/- 2.64   1.374% *  0.0363% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.06 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.61, residual support = 59.7:
          HB3   PHE   97 - HN    ASP- 105   2.85 +/- 0.88  91.900% * 98.7158% (0.90   5.61  59.75) =  99.975%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.09 +/- 1.12   2.598% *  0.3924% (1.00   0.02   0.02) =   0.011%
          HB2   GLN  116 - HN    ASP- 105  15.11 +/- 1.70   1.329% *  0.3846% (0.98   0.02   0.02) =   0.006%
          HB2   PRO   58 - HN    ASP- 105  17.71 +/- 4.71   1.676% *  0.1759% (0.45   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    ASP- 105  18.60 +/- 3.65   1.197% *  0.2222% (0.57   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    ASP- 105  15.88 +/- 2.02   1.300% *  0.1091% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.66, residual support = 41.9:
      O   HB2   ASP- 105 - HN    ASP- 105   3.50 +/- 0.25  84.344% * 99.3924% (0.80  10.0   4.66  41.88) =  99.989%  kept
          HG12  ILE  119 - HN    ASP- 105  12.26 +/- 3.75   3.813% *  0.0853% (0.69   1.0   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    ASP- 105  11.57 +/- 0.98   2.553% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    ASP- 105  12.28 +/- 2.37   3.512% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ASP- 105  17.81 +/- 1.76   0.708% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ASP- 105  19.34 +/- 2.58   0.608% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  12.66 +/- 1.50   2.263% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    ASP- 105  19.25 +/- 2.23   0.621% *  0.0703% (0.57   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP- 105  20.28 +/- 1.63   0.474% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.38 +/- 2.73   0.442% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  19.45 +/- 3.07   0.662% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.773, support = 4.57, residual support = 40.4:
      O   HB3   ASP- 105 - HN    ASP- 105   2.77 +/- 0.21  72.402% * 70.3803% (0.76  10.0   4.60  41.88) =  93.731%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.26 +/- 0.34  11.784% * 21.5687% (0.98   1.0   4.78  23.72) =   4.675%  kept
          HB    ILE  103 - HN    ASP- 105   5.38 +/- 0.57  11.641% *  7.4205% (0.69   1.0   2.35   3.32) =   1.589%  kept
          QB    LYS+  33 - HN    ASP- 105  15.44 +/- 1.88   0.524% *  0.0799% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  14.71 +/- 1.91   0.585% *  0.0669% (0.73   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP- 105  16.19 +/- 2.04   0.471% *  0.0799% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASP- 105  14.85 +/- 2.51   0.693% *  0.0485% (0.53   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  18.49 +/- 3.70   0.438% *  0.0596% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  20.96 +/- 2.75   0.216% *  0.0889% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  18.40 +/- 4.30   0.614% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  22.60 +/- 1.58   0.147% *  0.0850% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.62 +/- 2.93   0.187% *  0.0669% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.60 +/- 0.86   0.296% *  0.0346% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.55, support = 5.34, residual support = 30.4:
          HG    LEU  104 - HN    ASP- 105   4.70 +/- 0.54  44.427% * 51.1114% (0.45   6.43  35.55) =  56.949%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.16 +/- 0.91  35.918% * 47.6910% (0.69   3.91  23.72) =  42.961%  kept
          HB3   LYS+ 121 - HN    ASP- 105   9.92 +/- 6.45  15.101% *  0.1590% (0.45   0.02   0.02) =   0.060%
          HG2   LYS+  33 - HN    ASP- 105  16.45 +/- 2.42   1.430% *  0.3516% (0.99   0.02   0.02) =   0.013%
          HB3   LYS+ 111 - HN    ASP- 105  15.43 +/- 2.11   1.492% *  0.2008% (0.57   0.02   0.02) =   0.008%
          HD3   LYS+  74 - HN    ASP- 105  18.35 +/- 1.93   0.961% *  0.2151% (0.61   0.02   0.02) =   0.005%
          QG    LYS+  81 - HN    ASP- 105  21.27 +/- 2.88   0.671% *  0.2711% (0.76   0.02   0.02) =   0.005%
    Distance limit 4.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.269, support = 4.86, residual support = 22.8:
          HB2   LEU  104 - HN    ASP- 105   2.84 +/- 0.50  43.161% * 60.3084% (0.22   6.36  35.55) =  60.591%  kept
          QG2   ILE  103 - HN    ASP- 105   2.83 +/- 0.65  45.107% * 37.4223% (0.34   2.57   3.32) =  39.293%  kept
          QD2   LEU   40 - HN    ASP- 105   6.27 +/- 1.14   9.159% *  0.4149% (0.49   0.02   0.02) =   0.088%
          QD1   LEU   67 - HN    ASP- 105  12.08 +/- 3.53   1.131% *  0.3822% (0.45   0.02   0.02) =   0.010%
          HB    VAL   75 - HN    ASP- 105  13.55 +/- 2.15   0.482% *  0.8448% (0.99   0.02   0.02) =   0.009%
          QD1   ILE  119 - HN    ASP- 105  11.75 +/- 2.90   0.795% *  0.4149% (0.49   0.02   0.02) =   0.008%
          HG3   LYS+  74 - HN    ASP- 105  17.74 +/- 1.51   0.165% *  0.2125% (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 = 3.79, residual support = 23.7:
          HB2   ASP- 105 - HN    LYS+ 106   2.87 +/- 0.25  89.705% * 91.2509% (0.98   3.80  23.72) =  99.786%  kept
          HG12  ILE  119 - HN    LYS+ 106  11.94 +/- 3.52   2.295% *  6.9066% (0.41   0.69   0.02) =   0.193%  kept
          HB2   MET   96 - HN    LYS+ 106   8.07 +/- 0.83   5.775% *  0.1512% (0.31   0.02   2.13) =   0.011%
          HG3   MET   92 - HN    LYS+ 106  15.85 +/- 1.56   0.655% *  0.4395% (0.90   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    LYS+ 106  15.43 +/- 1.20   0.668% *  0.3745% (0.76   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    LYS+ 106  20.09 +/- 1.86   0.321% *  0.4093% (0.84   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    LYS+ 106  22.31 +/- 2.83   0.247% *  0.3924% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    LYS+ 106  19.26 +/- 1.55   0.335% *  0.0756% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.968, support = 5.28, residual support = 129.0:
      O   QB    LYS+ 106 - HN    LYS+ 106   2.87 +/- 0.33  66.613% * 86.3419% (0.98  10.0   5.36 135.02) =  94.566%  kept
          HB3   ASP- 105 - HN    LYS+ 106   4.06 +/- 0.16  25.395% * 12.9945% (0.76   1.0   3.86  23.72) =   5.426%  kept
          HB    ILE  103 - HN    LYS+ 106   7.39 +/- 0.62   4.505% *  0.0605% (0.69   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    LYS+ 106  14.90 +/- 1.46   0.634% *  0.0764% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LYS+ 106  18.62 +/- 2.21   0.319% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  18.59 +/- 2.38   0.309% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  21.18 +/- 2.34   0.218% *  0.0850% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  17.91 +/- 2.46   0.373% *  0.0463% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  21.20 +/- 1.57   0.188% *  0.0813% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  15.66 +/- 0.99   0.432% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  20.49 +/- 3.83   0.249% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.76 +/- 2.19   0.205% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.03 +/- 3.60   0.560% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.61, residual support = 3.12:
          QG2   THR  118 - HN    LYS+ 106   6.79 +/- 4.52 100.000% *100.0000% (0.53   2.61   3.12) = 100.000%  kept
    Distance limit 4.75 A violated in 8 structures by 2.61 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 42.5:
          HB2   PHE   95 - HN    VAL  107   3.20 +/- 0.61 100.000% *100.0000% (1.00   2.31  42.47) = 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 = 60.1:
      O   HB    VAL  107 - HN    VAL  107   2.56 +/- 0.42  90.066% * 99.7350% (0.99  10.0   3.33  60.07) =  99.993%  kept
          QE    LYS+ 112 - HN    VAL  107  11.10 +/- 2.42   6.464% *  0.0691% (0.69   1.0   0.02   0.02) =   0.005%
          HB3   PHE   45 - HN    VAL  107   9.97 +/- 1.55   2.477% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    VAL  107  17.39 +/- 2.87   0.536% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  19.79 +/- 1.38   0.289% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.17 +/- 2.09   0.168% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.521, support = 5.04, residual support = 25.9:
          QB    LYS+ 106 - HN    VAL  107   3.15 +/- 0.21  79.706% * 84.7003% (0.53   5.10  26.35) =  98.379%  kept
          HB3   ASP- 105 - HN    VAL  107   6.55 +/- 0.32   9.524% * 11.2896% (0.25   1.43   0.02) =   1.567%  kept
          HB    ILE   56 - HN    VAL  107  11.88 +/- 1.62   1.676% *  0.5828% (0.92   0.02   0.02) =   0.014%
          HB2   MET   92 - HN    VAL  107  12.05 +/- 1.19   1.605% *  0.5662% (0.90   0.02   0.02) =   0.013%
          HB    ILE  103 - HN    VAL  107   9.39 +/- 0.90   3.394% *  0.1249% (0.20   0.02   0.02) =   0.006%
          HB3   PRO   58 - HN    VAL  107  15.97 +/- 2.85   0.803% *  0.4584% (0.73   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    VAL  107  17.61 +/- 1.62   0.536% *  0.6188% (0.98   0.02   0.02) =   0.005%
          HB3   LYS+  38 - HN    VAL  107  19.95 +/- 1.72   0.371% *  0.6257% (0.99   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    VAL  107  18.67 +/- 2.14   0.466% *  0.3073% (0.49   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    VAL  107  17.83 +/- 1.43   0.490% *  0.2595% (0.41   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    VAL  107  19.12 +/- 1.78   0.437% *  0.2153% (0.34   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    VAL  107  18.42 +/- 2.20   0.505% *  0.1406% (0.22   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    VAL  107  19.37 +/- 3.35   0.486% *  0.1106% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.12, residual support = 60.0:
          QG1   VAL  107 - HN    VAL  107   2.92 +/- 0.48  89.957% * 91.2070% (0.20   4.13  60.07) =  99.827%  kept
          HG13  ILE  119 - HN    VAL  107  11.62 +/- 2.82   2.601% *  2.2130% (0.99   0.02   0.02) =   0.070%
          HD3   LYS+ 112 - HN    VAL  107  12.56 +/- 2.63   2.130% *  1.3543% (0.61   0.02   0.02) =   0.035%
          QB    ALA   20 - HN    VAL  107  17.77 +/- 2.55   1.203% *  1.3543% (0.61   0.02   0.02) =   0.020%
          HB3   LEU   31 - HN    VAL  107  16.40 +/- 2.36   0.681% *  2.2278% (1.00   0.02   0.02) =   0.018%
          HG2   LYS+ 121 - HN    VAL  107  12.43 +/- 5.18   2.501% *  0.5568% (0.25   0.02   0.02) =   0.017%
          QG1   VAL   24 - HN    VAL  107  16.90 +/- 3.05   0.928% *  1.0868% (0.49   0.02   0.02) =   0.012%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 64.9:
      O   HB    VAL  108 - HN    VAL  108   2.96 +/- 0.48  91.233% * 99.4150% (0.95  10.0   4.68  64.94) =  99.993%  kept
          HB2   PRO   93 - HN    VAL  108  10.83 +/- 1.82   3.026% *  0.0994% (0.95   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    VAL  108  12.70 +/- 2.67   2.000% *  0.0803% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    VAL  108  18.45 +/- 1.94   0.440% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.31 +/- 1.72   0.326% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  20.72 +/- 0.99   0.334% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  15.04 +/- 2.54   1.101% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.57 +/- 2.49   0.311% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  16.66 +/- 3.07   0.745% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.22 +/- 3.10   0.302% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  29.24 +/- 3.76   0.123% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  36.67 +/- 3.71   0.060% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.61, residual support = 19.4:
          QG2   VAL  107 - HN    VAL  108   3.27 +/- 0.36  83.250% * 92.9568% (0.28   3.62  19.39) =  99.820%  kept
          HD3   LYS+ 112 - HN    VAL  108  11.85 +/- 2.56  11.442% *  0.6300% (0.34   0.02   0.02) =   0.093%
          HG13  ILE  119 - HN    VAL  108  13.18 +/- 2.28   1.632% *  1.7470% (0.95   0.02   0.02) =   0.037%
          HG2   LYS+ 121 - HN    VAL  108  13.60 +/- 4.48   1.837% *  0.8989% (0.49   0.02   0.02) =   0.021%
          QB    ALA   20 - HN    VAL  108  20.31 +/- 2.47   0.678% *  1.6020% (0.87   0.02   0.02) =   0.014%
          HB3   LEU   31 - HN    VAL  108  19.96 +/- 2.27   0.498% *  1.7048% (0.92   0.02   0.02) =   0.011%
          QG1   VAL   24 - HN    VAL  108  19.23 +/- 3.39   0.664% *  0.4605% (0.25   0.02   0.02) =   0.004%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.25, support = 4.64, residual support = 19.3:
          QG1   VAL  107 - HN    VAL  108   3.92 +/- 0.31  79.577% * 95.7585% (0.25   4.66  19.39) =  99.708%  kept
          HG3   LYS+ 112 - HN    VAL  108  10.63 +/- 1.98  17.281% *  1.0004% (0.61   0.02   0.02) =   0.226%  kept
          HG    LEU   63 - HN    VAL  108  15.66 +/- 3.79   2.285% *  1.5917% (0.97   0.02   0.02) =   0.048%
          QG2   VAL   24 - HN    VAL  108  18.83 +/- 2.90   0.857% *  1.6494% (1.00   0.02   0.02) =   0.018%
    Distance limit 3.55 A violated in 0 structures by 0.37 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   2.20 +/- 0.03  98.519% * 99.6957% (0.69  10.0   4.64  26.36) =  99.998%  kept
          HA    ALA   61 - HN    ASP-  76  12.07 +/- 2.82   0.943% *  0.0997% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ASP-  76  17.49 +/- 2.96   0.243% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  16.44 +/- 2.19   0.295% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.66, residual support = 35.6:
      O   HB2   ASP-  76 - HN    ASP-  76   2.78 +/- 0.48  89.784% * 96.2734% (1.00  10.0   3.66  35.72) =  99.691%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.98 +/- 0.95   7.482% *  3.5745% (0.73   1.0   1.02   4.11) =   0.308%  kept
          HB2   ASN   69 - HN    ASP-  76  18.63 +/- 2.22   0.510% *  0.0944% (0.98   1.0   0.02   0.02) =   0.001%
          QE    LYS+  66 - HN    ASP-  76  16.29 +/- 2.85   0.979% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  15.67 +/- 4.82   0.772% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.95 +/- 3.12   0.473% *  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 = 0.279, support = 3.7, residual support = 35.6:
      O   HB3   ASP-  76 - HN    ASP-  76   3.10 +/- 0.45  84.045% * 94.0696% (0.28  10.0   3.71  35.72) =  99.611%  kept
          HB2   ASP-  44 - HN    ASP-  76   7.92 +/- 0.96   7.106% *  4.0663% (0.45   1.0   0.54   0.02) =   0.364%  kept
          HG3   MET   92 - HN    ASP-  76  13.45 +/- 2.21   1.324% *  0.2935% (0.87   1.0   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    ASP-  76  12.33 +/- 2.04   1.756% *  0.2189% (0.65   1.0   0.02   0.02) =   0.005%
          HB3   PHE   72 - HN    ASP-  76  11.47 +/- 0.71   1.961% *  0.1915% (0.57   1.0   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HN    ASP-  76  16.97 +/- 4.65   0.909% *  0.3201% (0.95   1.0   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    ASP-  76  17.68 +/- 1.77   0.602% *  0.3201% (0.95   1.0   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    ASP-  76  18.03 +/- 4.96   0.783% *  0.1647% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ASP-  76  17.78 +/- 2.14   0.648% *  0.1647% (0.49   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  76  19.49 +/- 3.96   0.500% *  0.1154% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  21.66 +/- 2.77   0.366% *  0.0753% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.4:
          QG1   VAL   75 - HN    ASP-  76   3.10 +/- 0.45  97.966% * 99.7155% (0.69   4.97  26.36) =  99.994%  kept
          QD1   LEU  115 - HN    ASP-  76  13.23 +/- 2.00   2.034% *  0.2845% (0.49   0.02   0.02) =   0.006%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 26.4:
          QG2   VAL   75 - HN    ASP-  76   3.60 +/- 0.55  94.747% * 99.6072% (0.98   4.64  26.36) =  99.978%  kept
          QG2   VAL   42 - HN    ASP-  76  10.56 +/- 1.11   5.253% *  0.3928% (0.90   0.02   0.02) =   0.022%
    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 = 9.36:
      O   HA2   GLY  109 - HN    GLY  109   2.78 +/- 0.25  95.872% * 99.3336% (0.43  10.0   2.20   9.36) =  99.994%  kept
          HA    THR  118 - HN    GLY  109  13.21 +/- 2.21   1.157% *  0.1522% (0.65   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    GLY  109  14.70 +/- 3.58   1.032% *  0.1341% (0.58   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    GLY  109  15.01 +/- 2.04   0.736% *  0.1693% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    GLY  109  18.48 +/- 4.10   0.699% *  0.1620% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  16.87 +/- 1.99   0.504% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.518, support = 0.118, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   6.97 +/- 1.58  44.125% *  6.0527% (0.70   0.02   0.02) =  32.859%  kept
          HG2   LYS+  74 - HN    GLY  109  18.53 +/- 2.09   2.785% * 67.0677% (0.46   0.34   0.02) =  22.978%  kept
          HD2   LYS+ 112 - HN    GLY  109  10.44 +/- 1.89  21.262% *  8.5023% (0.15   0.13   0.02) =  22.241%  kept
          HG12  ILE   89 - HN    GLY  109  11.35 +/- 4.09  24.571% *  6.3278% (0.73   0.02   0.02) =  19.129%  kept
          HG    LEU   71 - HN    GLY  109  22.78 +/- 3.10   2.150% *  4.2416% (0.49   0.02   0.02) =   1.122%  kept
          HG3   LYS+  99 - HN    GLY  109  21.04 +/- 0.98   2.044% *  3.7122% (0.43   0.02   0.02) =   0.934%  kept
          HB3   LEU   71 - HN    GLY  109  22.68 +/- 2.67   1.867% *  1.6349% (0.19   0.02   0.02) =   0.376%  kept
          HG13  ILE   19 - HN    GLY  109  24.61 +/- 2.77   1.196% *  2.4608% (0.28   0.02   0.02) =   0.362%  kept
    Distance limit 4.67 A violated in 11 structures by 1.69 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.39:
          QG1   VAL  108 - HN    GLY  109   2.57 +/- 0.34  98.334% * 98.9380% (0.65   3.09   7.39) =  99.994%  kept
          QD1   LEU   40 - HN    GLY  109  15.09 +/- 1.58   0.639% *  0.5069% (0.52   0.02   0.02) =   0.003%
          QD2   LEU   67 - HN    GLY  109  17.15 +/- 3.40   0.575% *  0.3034% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    GLY  109  16.80 +/- 2.82   0.452% *  0.2517% (0.26   0.02   0.02) =   0.001%
    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 = 6.39:
      O   HA2   GLY  109 - HN    ALA  110   2.94 +/- 0.40  94.765% * 99.3336% (0.57  10.0   2.20   6.39) =  99.992%  kept
          HA    THR  118 - HN    ALA  110  13.15 +/- 1.71   1.420% *  0.1522% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    ALA  110  14.67 +/- 1.89   1.059% *  0.1693% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    ALA  110  15.78 +/- 3.49   1.216% *  0.1341% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    ALA  110  18.04 +/- 4.32   0.961% *  0.1620% (0.92   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    ALA  110  17.70 +/- 2.15   0.580% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.26, support = 0.685, residual support = 5.27:
          HG2   PRO   93 - HN    ALA  110   7.05 +/- 3.57  36.637% * 54.6666% (0.22   0.75   5.79) =  91.077%  kept
          HB3   PRO   52 - HN    ALA  110  12.00 +/- 4.16   8.930% *  6.4182% (0.98   0.02   0.02) =   2.606%  kept
          QB    LYS+ 106 - HN    ALA  110   9.08 +/- 1.02  21.808% *  1.2958% (0.20   0.02   0.02) =   1.285%  kept
          HB3   ASP- 105 - HN    ALA  110  13.85 +/- 1.34   5.943% *  2.9356% (0.45   0.02   0.02) =   0.793%  kept
          HG12  ILE  103 - HN    ALA  110  16.85 +/- 1.93   3.273% *  5.2431% (0.80   0.02   0.02) =   0.780%  kept
          QB    LYS+  66 - HN    ALA  110  18.12 +/- 3.22   4.839% *  2.9356% (0.45   0.02   0.02) =   0.646%  kept
          HG    LEU  123 - HN    ALA  110  19.09 +/- 2.13   2.125% *  6.4182% (0.98   0.02   0.02) =   0.620%  kept
          HB    ILE  103 - HN    ALA  110  16.99 +/- 1.39   3.184% *  3.4450% (0.53   0.02   0.02) =   0.499%  kept
          HB    VAL   41 - HN    ALA  110  18.95 +/- 1.86   2.479% *  4.2358% (0.65   0.02   0.02) =   0.477%  kept
          HG2   ARG+  54 - HN    ALA  110  16.23 +/- 3.33   3.162% *  3.1872% (0.49   0.02   0.02) =   0.458%  kept
          HB3   GLN   90 - HN    ALA  110  15.63 +/- 2.93   3.180% *  1.8205% (0.28   0.02   0.02) =   0.263%  kept
          HG3   PRO   68 - HN    ALA  110  23.53 +/- 3.68   1.507% *  3.7071% (0.57   0.02   0.02) =   0.254%  kept
          QB    LYS+  33 - HN    ALA  110  25.21 +/- 2.87   1.265% *  2.2335% (0.34   0.02   0.02) =   0.129%  kept
          QB    LYS+  81 - HN    ALA  110  19.36 +/- 3.31   1.666% *  1.4578% (0.22   0.02   0.02) =   0.110%  kept
    Distance limit 4.43 A violated in 9 structures by 1.71 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.58:
      O   QB    ALA  110 - HN    ALA  110   2.66 +/- 0.24  90.203% * 98.9553% (0.69  10.0   2.12   9.58) =  99.991%  kept
          HB3   LEU  115 - HN    ALA  110   8.15 +/- 1.65   5.241% *  0.0592% (0.41   1.0   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    ALA  110  19.10 +/- 4.89   0.956% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ALA  110  14.25 +/- 2.01   0.741% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA  110  20.83 +/- 4.67   0.662% *  0.1046% (0.73   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA  110  18.60 +/- 3.21   0.452% *  0.1428% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  20.64 +/- 3.29   0.276% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.42 +/- 2.12   0.183% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.20 +/- 1.95   0.306% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.65 +/- 4.13   0.507% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.46 +/- 3.48   0.344% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  24.52 +/- 2.61   0.127% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.05, residual support = 314.6:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.04 +/- 0.63  59.523% * 99.1964% (1.00  10.0   7.06 315.01) =  99.859%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.05 +/- 1.34  37.479% *  0.2189% (0.53   1.0   0.08   0.11) =   0.139%  kept
          HB    ILE  119 - HN    LYS+ 111  11.76 +/- 1.43   1.403% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 111  26.95 +/- 4.81   0.328% *  0.0974% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+ 111  23.87 +/- 2.82   0.176% *  0.0892% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  27.04 +/- 4.12   0.149% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  29.16 +/- 4.85   0.159% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.76 +/- 3.51   0.227% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  24.05 +/- 3.09   0.162% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.47 +/- 3.48   0.124% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  25.73 +/- 1.53   0.125% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.35 +/- 3.25   0.146% *  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 = 5.5, residual support = 315.0:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.88 +/- 0.57  94.998% * 99.4649% (0.92  10.0   5.50 315.01) =  99.996%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  14.54 +/- 1.39   0.905% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+ 111  18.22 +/- 2.89   0.927% *  0.0863% (0.80   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  14.26 +/- 2.13   0.912% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  19.13 +/- 1.83   0.378% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  19.91 +/- 2.94   0.400% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.39 +/- 3.12   0.564% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  22.76 +/- 3.47   0.682% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  27.47 +/- 3.42   0.233% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.909, support = 6.5, residual support = 309.6:
          HG3   LYS+ 111 - HN    LYS+ 111   3.42 +/- 0.46  84.173% * 86.9374% (0.92   6.55 315.01) =  98.117%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.59 +/- 1.24  11.548% * 12.0820% (0.20   4.25  28.90) =   1.871%  kept
          HG12  ILE   89 - HN    LYS+ 111  14.62 +/- 3.34   2.039% *  0.2776% (0.97   0.02   0.02) =   0.008%
          HG2   LYS+  74 - HN    LYS+ 111  19.28 +/- 2.67   0.617% *  0.1745% (0.61   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    LYS+ 111  23.52 +/- 3.83   0.513% *  0.1861% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  22.25 +/- 1.42   0.362% *  0.1628% (0.57   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  24.95 +/- 3.31   0.319% *  0.1080% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  23.50 +/- 3.59   0.429% *  0.0717% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.12 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.71, support = 0.02, residual support = 0.02:
          QD1   ILE   56 - HN    LYS+ 111   8.28 +/- 3.19  51.408% * 26.3685% (0.76   0.02   0.02) =  60.528%  kept
          QD2   LEU   73 - HN    LYS+ 111  15.63 +/- 3.80  19.882% * 16.7946% (0.49   0.02   0.02) =  14.910%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  15.60 +/- 2.04   9.856% * 33.2982% (0.97   0.02   0.02) =  14.655%  kept
          QD2   LEU  123 - HN    LYS+ 111  14.94 +/- 2.01  15.260% * 11.7694% (0.34   0.02   0.02) =   8.019%  kept
          HG    LEU   31 - HN    LYS+ 111  23.18 +/- 2.48   3.594% * 11.7694% (0.34   0.02   0.02) =   1.889%  kept
    Distance limit 3.90 A violated in 15 structures by 3.79 A, eliminated.
    Peak unassigned.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.76, residual support = 238.1:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.80 +/- 0.06  97.013% * 99.8622% (0.87  10.0   5.76 238.06) =  99.999%  kept
          HB    THR   46 - HN    LYS+ 112  14.07 +/- 2.98   1.630% *  0.0393% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    LYS+ 112  17.20 +/- 1.49   0.472% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  26.24 +/- 6.08   0.886% *  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 = 6.96, residual support = 28.6:
          HB2   LYS+ 111 - HN    LYS+ 112   3.75 +/- 0.40  62.733% * 95.6866% (0.87   7.02  28.90) =  99.010%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.23 +/- 0.43  25.569% *  2.2876% (0.28   0.52   0.71) =   0.965%  kept
          HB    ILE  119 - HN    LYS+ 112  10.83 +/- 1.12   3.368% *  0.1530% (0.49   0.02   0.02) =   0.008%
          HB    VAL  108 - HN    LYS+ 112  11.34 +/- 0.97   2.847% *  0.0874% (0.28   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HN    LYS+ 112  12.59 +/- 2.26   1.989% *  0.0700% (0.22   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LYS+ 112  22.87 +/- 2.54   0.425% *  0.3142% (1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    LYS+ 112  26.56 +/- 4.93   0.395% *  0.2516% (0.80   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    LYS+ 112  25.76 +/- 4.32   0.320% *  0.2516% (0.80   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 112  29.74 +/- 4.71   0.378% *  0.1906% (0.61   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    LYS+ 112  26.20 +/- 4.46   0.277% *  0.2516% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  24.77 +/- 3.88   0.367% *  0.1530% (0.49   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LYS+ 112  26.77 +/- 2.18   0.203% *  0.1779% (0.57   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+ 112  21.80 +/- 3.09   0.646% *  0.0550% (0.18   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    LYS+ 112  23.86 +/- 3.93   0.481% *  0.0700% (0.22   0.02   0.02) =   0.001%
    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 = 0.763, support = 5.73, residual support = 237.8:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.81 +/- 0.62  79.675% * 96.0174% (0.76  10.0   5.74 238.06) =  99.894%  kept
          HB3   LEU   73 - HN    LYS+ 112  19.85 +/- 5.93   2.395% *  3.0914% (0.87   1.0   0.57   0.11) =   0.097%
          HB3   PRO   93 - HN    LYS+ 112   8.38 +/- 2.36  12.896% *  0.0194% (0.15   1.0   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LYS+ 112  16.44 +/- 2.95   1.411% *  0.1160% (0.92   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    LYS+ 112  15.32 +/- 1.24   0.778% *  0.0813% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+ 112  18.05 +/- 2.30   0.424% *  0.1160% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  17.84 +/- 1.78   0.538% *  0.0863% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+ 112  15.79 +/- 1.95   0.629% *  0.0472% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.22 +/- 3.70   0.527% *  0.0517% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  28.14 +/- 3.68   0.171% *  0.1213% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  24.28 +/- 2.39   0.181% *  0.1049% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  29.78 +/- 4.47   0.116% *  0.1160% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  22.11 +/- 3.13   0.259% *  0.0313% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.856, support = 6.06, residual support = 238.0:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.80 +/- 0.65  55.901% * 84.1926% (0.90  10.0   5.98 238.06) =  90.131%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.06 +/- 1.17  32.990% * 15.6119% (0.49   1.0   6.83 238.06) =   9.863%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.00 +/- 0.80   9.007% *  0.0186% (0.20   1.0   0.02   0.02) =   0.003%
          QG2   THR   94 - HN    LYS+ 112   9.88 +/- 1.62   1.730% *  0.0814% (0.87   1.0   0.02   0.02) =   0.003%
          HG13  ILE  103 - HN    LYS+ 112  18.89 +/- 2.53   0.227% *  0.0569% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.51 +/- 3.95   0.144% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 237.9:
          HG2   LYS+ 112 - HN    LYS+ 112   3.85 +/- 0.50  88.019% * 98.1762% (0.34   6.23 238.06) =  99.912%  kept
          QG1   VAL   42 - HN    LYS+ 112  12.11 +/- 2.62   5.903% *  0.6345% (0.69   0.02   0.02) =   0.043%
          QB    ALA   47 - HN    LYS+ 112  12.18 +/- 1.84   3.960% *  0.7396% (0.80   0.02   0.02) =   0.034%
          QB    ALA   64 - HN    LYS+ 112  14.46 +/- 1.83   2.117% *  0.4496% (0.49   0.02   0.02) =   0.011%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.735, support = 0.909, residual support = 4.4:
          QD1   ILE   56 - HN    LYS+ 112   6.76 +/- 2.53  56.278% * 73.5228% (0.76   0.96   4.91) =  89.418%  kept
          QD2   LEU   73 - HN    LYS+ 112  15.70 +/- 4.85  20.129% * 23.1834% (0.49   0.48   0.11) =  10.085%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  16.39 +/- 1.45   5.558% *  1.9297% (0.97   0.02   0.02) =   0.232%  kept
          QD2   LEU  123 - HN    LYS+ 112  14.02 +/- 2.03  15.366% *  0.6821% (0.34   0.02   0.02) =   0.226%  kept
          HG    LEU   31 - HN    LYS+ 112  23.85 +/- 3.08   2.669% *  0.6821% (0.34   0.02   0.02) =   0.039%
    Distance limit 4.05 A violated in 9 structures by 2.33 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 238.0:
          HG3   LYS+ 112 - HN    LYS+ 112   3.35 +/- 0.37  92.760% * 99.2158% (0.87   5.93 238.06) =  99.986%  kept
          HG    LEU   63 - HN    LYS+ 112  14.47 +/- 2.57   2.206% *  0.3784% (0.98   0.02   0.02) =   0.009%
          QG2   VAL  108 - HN    LYS+ 112   9.91 +/- 0.79   4.438% *  0.0596% (0.15   0.02   0.02) =   0.003%
          QG2   VAL   24 - HN    LYS+ 112  21.56 +/- 3.49   0.596% *  0.3462% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.09 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.47, residual support = 15.6:
      O   HA    LYS+ 112 - HN    ASP- 113   3.54 +/- 0.05  95.901% * 99.8622% (0.74  10.0   5.47  15.56) =  99.998%  kept
          HB2   HIS  122 - HN    ASP- 113  16.16 +/- 1.35   1.099% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB    THR   46 - HN    ASP- 113  15.77 +/- 2.74   1.772% *  0.0393% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  27.23 +/- 6.27   1.228% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.48, residual support = 14.5:
      O   QB    ASP- 113 - HN    ASP- 113   2.23 +/- 0.17 100.000% *100.0000% (0.82  10.0   3.48  14.45) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 3.18, residual support = 23.2:
          QG    GLU- 114 - HN    ASP- 113   4.49 +/- 0.57  79.467% * 94.1722% (0.26   3.19  23.23) =  99.731%  kept
          HG2   PRO   52 - HN    ASP- 113  13.32 +/- 2.79   6.593% *  1.4612% (0.65   0.02   0.02) =   0.128%  kept
          HB2   PRO   58 - HN    ASP- 113  12.07 +/- 2.45   6.946% *  0.9306% (0.41   0.02   0.02) =   0.086%
          HG2   MET   92 - HN    ASP- 113  14.45 +/- 2.40   5.595% *  0.4767% (0.21   0.02   0.02) =   0.036%
          HG3   GLU-  25 - HN    ASP- 113  31.88 +/- 5.22   0.486% *  1.7649% (0.79   0.02   0.02) =   0.011%
          HB2   GLU-  79 - HN    ASP- 113  23.62 +/- 2.22   0.643% *  0.7176% (0.32   0.02   0.02) =   0.006%
          HG3   GLU-  36 - HN    ASP- 113  32.38 +/- 3.79   0.269% *  0.4767% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.77 A violated in 0 structures by 0.10 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.713, support = 2.65, residual support = 10.3:
          HB2   LYS+ 111 - HN    ASP- 113   3.72 +/- 0.80  57.556% * 52.3749% (0.85   2.18   3.64) =  65.925%  kept
          QB    GLU- 114 - HN    ASP- 113   4.47 +/- 0.29  34.745% * 44.7988% (0.45   3.54  23.23) =  34.040%  kept
          HB    ILE  119 - HN    ASP- 113   9.58 +/- 0.68   3.930% *  0.1198% (0.21   0.02   0.02) =   0.010%
          HB3   PRO   68 - HN    ASP- 113  22.85 +/- 2.62   0.543% *  0.4309% (0.76   0.02   0.02) =   0.005%
          QB    GLU-  15 - HN    ASP- 113  26.41 +/- 5.19   0.437% *  0.4710% (0.84   0.02   0.02) =   0.004%
          HG2   PRO   68 - HN    ASP- 113  21.64 +/- 3.31   0.985% *  0.1803% (0.32   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    ASP- 113  30.47 +/- 5.33   0.338% *  0.4168% (0.74   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    ASP- 113  26.32 +/- 4.66   0.274% *  0.4710% (0.84   0.02   0.02) =   0.003%
          HB    ILE   19 - HN    ASP- 113  24.09 +/- 4.23   0.377% *  0.2154% (0.38   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    ASP- 113  26.11 +/- 4.50   0.273% *  0.2528% (0.45   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    ASP- 113  25.09 +/- 4.18   0.312% *  0.1198% (0.21   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  26.45 +/- 2.25   0.230% *  0.1483% (0.26   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.17, residual support = 15.6:
          HB2   LYS+ 112 - HN    ASP- 113   3.48 +/- 0.42  83.451% * 96.1305% (0.65   5.18  15.56) =  99.950%  kept
          HB3   LEU   73 - HN    ASP- 113  20.74 +/- 5.92   2.615% *  0.4216% (0.74   0.02   0.02) =   0.014%
          HB    VAL   42 - HN    ASP- 113  16.61 +/- 2.97   1.646% *  0.4487% (0.79   0.02   0.02) =   0.009%
          HB3   PRO   93 - HN    ASP- 113  10.25 +/- 2.10   6.372% *  0.0750% (0.13   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    ASP- 113  15.46 +/- 1.24   0.987% *  0.3144% (0.55   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ASP- 113  14.34 +/- 2.22   1.689% *  0.1824% (0.32   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ASP- 113  18.64 +/- 1.92   0.658% *  0.4487% (0.79   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ASP- 113  17.95 +/- 1.61   0.657% *  0.3339% (0.59   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    ASP- 113  21.24 +/- 3.87   0.817% *  0.1998% (0.35   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    ASP- 113  28.24 +/- 3.89   0.279% *  0.4691% (0.82   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    ASP- 113  24.14 +/- 2.39   0.282% *  0.4060% (0.71   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ASP- 113  29.86 +/- 4.66   0.197% *  0.4487% (0.79   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  23.82 +/- 3.09   0.350% *  0.1212% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.11 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.674, support = 4.94, residual support = 15.4:
          HB3   LYS+ 112 - HN    ASP- 113   3.63 +/- 0.56  54.451% * 58.4864% (0.76   4.79  15.56) =  74.976%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.36 +/- 1.12  26.992% * 37.2383% (0.41   5.62  15.56) =  23.664%  kept
          QG2   VAL  107 - HN    ASP- 113   6.19 +/- 1.15  15.168% *  3.7619% (0.17   1.40   0.02) =   1.343%  kept
          QG2   THR   94 - HN    ASP- 113  10.92 +/- 1.38   2.532% *  0.2363% (0.74   0.02   0.02) =   0.014%
          HG13  ILE  103 - HN    ASP- 113  19.15 +/- 2.24   0.410% *  0.1652% (0.52   0.02   0.02) =   0.002%
          HB3   LEU   71 - HN    ASP- 113  23.68 +/- 4.21   0.447% *  0.1120% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.94 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 = 3.36, residual support = 23.2:
      O   HA    ASP- 113 - HN    GLU- 114   3.57 +/- 0.05  88.835% * 99.6702% (1.00  10.0   3.36  23.23) =  99.993%  kept
          HA    ILE   56 - HN    GLU- 114   9.78 +/- 1.42   5.128% *  0.0606% (0.61   1.0   0.02   0.02) =   0.004%
          HA    PHE   59 - HN    GLU- 114  10.95 +/- 1.26   3.579% *  0.0606% (0.61   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU- 114  15.97 +/- 0.91   1.032% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  20.33 +/- 1.90   0.602% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    GLU- 114  26.22 +/- 2.82   0.268% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  20.47 +/- 3.05   0.556% *  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 = 3.36, residual support = 23.2:
          QB    ASP- 113 - HN    GLU- 114   2.79 +/- 0.33  98.796% * 99.8627% (0.97   3.36  23.23) =  99.998%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.22 +/- 1.52   1.204% *  0.1373% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.54 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 = 4.42, residual support = 44.0:
          QG    GLU- 114 - HN    GLU- 114   2.63 +/- 0.50  96.746% * 97.7373% (0.84   4.42  44.03) =  99.985%  kept
          HG2   MET   92 - HN    GLU- 114  14.39 +/- 2.18   1.738% *  0.4047% (0.76   0.02   0.02) =   0.007%
          HG2   PRO   52 - HN    GLU- 114  14.21 +/- 2.53   1.088% *  0.5191% (0.98   0.02   0.02) =   0.006%
          HB2   GLU-  79 - HN    GLU- 114  23.11 +/- 2.21   0.190% *  0.4749% (0.90   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    GLU- 114  30.81 +/- 5.40   0.147% *  0.4593% (0.87   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    GLU- 114  30.81 +/- 3.77   0.092% *  0.4047% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.839, support = 4.16, residual support = 41.6:
      O   QB    GLU- 114 - HN    GLU- 114   2.28 +/- 0.24  65.304% * 89.3442% (0.84  10.0   4.28  44.03) =  94.577%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.70 +/- 1.42  33.111% * 10.0997% (0.90   1.0   2.11   0.11) =   5.421%  kept
          HG2   PRO   68 - HN    GLU- 114  20.96 +/- 3.62   0.507% *  0.0735% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLU- 114  29.44 +/- 5.56   0.323% *  0.1070% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    GLU- 114  22.23 +/- 2.88   0.235% *  0.0649% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  25.48 +/- 5.30   0.144% *  0.1012% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.10 +/- 4.07   0.173% *  0.0817% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  25.64 +/- 4.57   0.087% *  0.1012% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  24.93 +/- 4.38   0.117% *  0.0267% (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 = 0.919, support = 0.0909, residual support = 0.108:
          HB3   LYS+ 111 - HN    GLU- 114   3.68 +/- 0.85  83.723% * 46.3759% (0.92   0.09   0.11) =  97.123%  kept
          HB3   LYS+ 121 - HN    GLU- 114  12.03 +/- 1.21   3.825% * 10.5839% (0.98   0.02   0.02) =   1.013%  kept
          QD    LYS+  66 - HN    GLU- 114  16.88 +/- 2.52   2.501% *  8.6461% (0.80   0.02   0.02) =   0.541%  kept
          HD2   LYS+ 121 - HN    GLU- 114  11.53 +/- 1.81   3.617% *  4.4391% (0.41   0.02   0.02) =   0.402%  kept
          HG    LEU  104 - HN    GLU- 114  18.08 +/- 2.08   1.432% * 10.5839% (0.98   0.02   0.02) =   0.379%  kept
          HD3   LYS+  74 - HN    GLU- 114  20.20 +/- 3.26   0.934% *  9.6837% (0.90   0.02   0.02) =   0.226%  kept
          QG2   THR   26 - HN    GLU- 114  22.56 +/- 4.18   2.206% *  3.0022% (0.28   0.02   0.02) =   0.166%  kept
          HG2   LYS+  65 - HN    GLU- 114  18.61 +/- 2.08   1.095% *  3.6832% (0.34   0.02   0.02) =   0.101%  kept
          HG2   LYS+  33 - HN    GLU- 114  26.73 +/- 4.27   0.667% *  3.0022% (0.28   0.02   0.02) =   0.050%
    Distance limit 4.24 A violated in 0 structures by 0.14 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 694 (1.14, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.471, support = 1.45, residual support = 4.43:
          QG2   VAL  107 - HN    GLU- 114   4.84 +/- 1.20  57.098% * 48.3170% (0.53   1.37   5.56) =  77.523%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.48 +/- 1.13  29.274% * 21.0654% (0.15   2.04   0.71) =  17.328%  kept
          HG13  ILE  119 - HN    GLU- 114   9.91 +/- 1.12   6.500% * 27.1374% (0.73   0.56   0.02) =   4.957%  kept
          HG2   LYS+ 121 - HN    GLU- 114  13.04 +/- 1.98   3.454% *  1.0217% (0.76   0.02   0.02) =   0.099%
          QB    ALA   20 - HN    GLU- 114  21.02 +/- 3.64   1.874% *  1.3339% (1.00   0.02   0.02) =   0.070%
          HB3   LEU   31 - HN    GLU- 114  23.28 +/- 2.70   0.591% *  0.9183% (0.69   0.02   0.02) =   0.015%
          HG13  ILE  103 - HN    GLU- 114  17.39 +/- 2.00   1.208% *  0.2063% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.24 +/- 0.49  95.612% * 99.4046% (0.57  10.0   3.85  14.93) =  99.995%  kept
          HA    GLN   30 - HN    GLY  101  12.99 +/- 3.23   2.936% *  0.1065% (0.61   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    GLY  101  20.76 +/- 5.95   0.722% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLY  101  26.08 +/- 2.66   0.242% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.17 +/- 3.37   0.338% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.69 +/- 1.99   0.150% *  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   2.69 +/- 0.28  98.542% * 99.9154% (0.53  10.0   2.86  15.43) =  99.999%  kept
          HB2   TRP   27 - HN    GLY  101  16.46 +/- 3.93   1.307% *  0.0423% (0.22   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    GLY  101  24.14 +/- 0.96   0.151% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.36, residual support = 75.5:
      O   HA    GLU- 100 - HN    GLU- 100   2.25 +/- 0.13  98.075% * 99.4046% (0.57  10.0   6.36  75.48) =  99.998%  kept
          HA    GLN   30 - HN    GLU- 100  11.93 +/- 2.90   1.427% *  0.1065% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    GLU- 100  21.56 +/- 5.67   0.254% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  23.83 +/- 3.55   0.114% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.12 +/- 2.73   0.080% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.03 +/- 2.45   0.051% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.686, support = 4.25, residual support = 75.4:
          HG3   GLU- 100 - HN    GLU- 100   3.26 +/- 0.49  86.628% * 97.4122% (0.69   4.26  75.48) =  99.906%  kept
          QB    GLN   32 - HN    GLU- 100  10.90 +/- 2.97   9.478% *  0.6532% (0.98   0.02   0.02) =   0.073%
          HB2   PRO   68 - HN    GLU- 100  16.91 +/- 4.04   1.586% *  0.6532% (0.98   0.02   0.02) =   0.012%
          HB    VAL   24 - HN    GLU- 100  19.47 +/- 2.95   0.727% *  0.6304% (0.95   0.02   0.02) =   0.005%
          HB2   GLU-  14 - HN    GLU- 100  19.91 +/- 3.76   0.632% *  0.1484% (0.22   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU- 100  23.26 +/- 3.97   0.456% *  0.1853% (0.28   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLU- 100  25.19 +/- 4.58   0.337% *  0.1319% (0.20   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU- 100  28.45 +/- 2.52   0.156% *  0.1853% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 38.8:
          HB2   LYS+  99 - HN    GLU- 100   4.31 +/- 0.23  94.321% * 99.1206% (0.73   5.58  38.83) =  99.978%  kept
          HB    VAL   43 - HN    GLU- 100  12.79 +/- 1.13   4.085% *  0.4087% (0.84   0.02   0.02) =   0.018%
          QD    LYS+  81 - HN    GLU- 100  24.77 +/- 3.33   0.714% *  0.3739% (0.76   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    GLU- 100  23.32 +/- 3.92   0.880% *  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 = 38.8:
          HG2   LYS+  99 - HN    GLU- 100   2.78 +/- 0.49  76.690% * 98.3855% (0.90   6.35  38.83) =  99.924%  kept
          HG2   LYS+  38 - HN    GLU- 100   7.62 +/- 2.06   9.326% *  0.3334% (0.97   0.02   0.02) =   0.041%
          HB2   LEU   31 - HN    GLU- 100  10.37 +/- 3.87  11.591% *  0.1956% (0.57   0.02   0.02) =   0.030%
          QG2   THR   77 - HN    GLU- 100  17.44 +/- 1.66   0.456% *  0.2095% (0.61   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLU- 100  22.38 +/- 4.18   0.246% *  0.3268% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 100  21.32 +/- 5.25   0.559% *  0.1420% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    GLU- 100  17.54 +/- 2.86   0.517% *  0.1066% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  16.78 +/- 1.57   0.473% *  0.0769% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  25.27 +/- 2.14   0.143% *  0.2235% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.81, residual support = 173.6:
      O   HB2   LYS+  99 - HN    LYS+  99   3.15 +/- 0.25  90.143% * 99.7262% (0.99  10.0   4.81 173.61) =  99.996%  kept
          HB    VAL   43 - HN    LYS+  99  10.68 +/- 0.84   2.510% *  0.0952% (0.95   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    LYS+  99  23.39 +/- 2.99   0.281% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.96 +/- 2.69   0.356% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  14.64 +/- 2.90   2.274% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  13.34 +/- 3.02   1.731% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  14.41 +/- 3.39   2.227% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  20.64 +/- 5.71   0.477% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.94, residual support = 18.2:
          QB    LEU   98 - HN    LYS+  99   3.12 +/- 0.46  65.580% * 93.7174% (0.57   3.95  18.22) =  99.894%  kept
          HD3   LYS+ 121 - HN    LYS+  99  14.07 +/- 6.82   2.439% *  0.7273% (0.87   0.02   0.02) =   0.029%
          QB    ALA   61 - HN    LYS+  99  15.71 +/- 4.21   2.961% *  0.5085% (0.61   0.02   0.02) =   0.024%
          HG12  ILE   19 - HN    LYS+  99  16.02 +/- 2.92   0.774% *  0.7519% (0.90   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    LYS+  99  19.86 +/- 4.75   0.453% *  0.8091% (0.97   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    LYS+  99  17.20 +/- 1.96   0.520% *  0.7003% (0.84   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    LYS+  99  19.79 +/- 5.14   0.456% *  0.6714% (0.80   0.02   0.02) =   0.005%
          QB    ALA  110 - HN    LYS+  99  18.12 +/- 1.24   0.417% *  0.7003% (0.84   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    GLN   30   8.94 +/- 2.05   5.397% *  0.0494% (0.06   0.02  13.73) =   0.004%
          HB3   LEU   67 - HN    LYS+  99  15.71 +/- 3.28   0.694% *  0.3759% (0.45   0.02   0.02) =   0.004%
          HG    LEU   73 - HN    LYS+  99  13.75 +/- 2.52   1.347% *  0.1294% (0.15   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LYS+  99  17.96 +/- 2.85   0.421% *  0.2331% (0.28   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LYS+  99  21.56 +/- 3.24   0.353% *  0.2588% (0.31   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    GLN   30  16.65 +/- 8.92   1.773% *  0.0441% (0.05   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  11.50 +/- 2.60   2.124% *  0.0312% (0.04   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    GLN   30  17.19 +/- 8.13   1.069% *  0.0532% (0.06   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    GLN   30   9.26 +/- 4.29   6.331% *  0.0085% (0.01   0.02   4.76) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  13.08 +/- 2.56   1.118% *  0.0460% (0.05   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  15.56 +/- 2.22   1.130% *  0.0334% (0.04   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    GLN   30  21.63 +/- 5.01   0.766% *  0.0478% (0.06   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    GLN   30  14.49 +/- 3.22   1.798% *  0.0170% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  15.80 +/- 2.97   0.974% *  0.0247% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  22.32 +/- 3.16   0.297% *  0.0460% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  18.02 +/- 2.80   0.807% *  0.0153% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.753, support = 3.61, residual support = 18.0:
          QD2   LEU  104 - HN    LYS+  99   3.19 +/- 1.38  49.320% * 50.5247% (0.80   3.43  17.77) =  57.968%  kept
          QD1   LEU   98 - HN    LYS+  99   3.81 +/- 1.01  36.883% * 48.9769% (0.69   3.87  18.22) =  42.022%  kept
          QD1   ILE   19 - HN    LYS+  99  14.06 +/- 1.86   0.623% *  0.2382% (0.65   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    GLN   30   7.70 +/- 1.61   4.672% *  0.0157% (0.04   0.02  13.73) =   0.002%
          QD2   LEU  104 - HN    GLN   30  12.60 +/- 3.32   3.225% *  0.0194% (0.05   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+  99  16.70 +/- 1.15   0.399% *  0.1137% (0.31   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  10.74 +/- 2.72   2.488% *  0.0166% (0.05   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+  99  16.41 +/- 2.47   0.450% *  0.0820% (0.22   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    GLN   30  11.16 +/- 1.69   1.289% *  0.0054% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  16.04 +/- 2.64   0.652% *  0.0075% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.844, support = 4.23, residual support = 17.4:
          QD1   LEU  104 - HN    LYS+  99   4.27 +/- 1.34  39.614% * 91.8977% (0.87   4.29  17.77) =  97.140%  kept
          QD1   LEU   73 - HN    GLN   30   7.14 +/- 4.17  27.275% *  3.3164% (0.06   2.36   4.76) =   2.414%  kept
          QD1   LEU  104 - HN    GLN   30  12.70 +/- 3.64   5.792% *  1.8374% (0.06   1.31   0.02) =   0.284%  kept
          QD2   LEU  115 - HN    GLN   30  18.19 +/- 3.85   3.158% *  0.6887% (0.07   0.43   0.02) =   0.058%
          QD1   LEU   63 - HN    LYS+  99  12.98 +/- 2.46   2.300% *  0.4280% (0.87   0.02   0.02) =   0.026%
          QD1   LEU   73 - HN    LYS+  99  11.38 +/- 1.67   2.256% *  0.4280% (0.87   0.02   0.02) =   0.026%
          QD2   LEU  115 - HN    LYS+  99  14.54 +/- 1.70   1.104% *  0.4923% (1.00   0.02   0.02) =   0.015%
          QD2   LEU   80 - HN    LYS+  99  16.48 +/- 3.92   0.927% *  0.4890% (0.99   0.02   0.02) =   0.012%
          QG1   VAL   83 - HN    LYS+  99  14.98 +/- 4.40   1.953% *  0.2028% (0.41   0.02   0.02) =   0.011%
          QD2   LEU   63 - HN    LYS+  99  12.68 +/- 2.63   1.976% *  0.1372% (0.28   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    GLN   30  13.13 +/- 7.53   5.061% *  0.0321% (0.07   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    GLN   30  14.03 +/- 3.25   2.536% *  0.0281% (0.06   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    GLN   30  14.61 +/- 6.99   2.953% *  0.0133% (0.03   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  13.75 +/- 3.14   3.095% *  0.0090% (0.02   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 3.96, residual support = 10.7:
          HB3   PHE   97 - HN    LEU   98   4.13 +/- 0.45  79.944% * 97.5050% (0.65   3.96  10.68) =  99.858%  kept
          HB2   GLU- 100 - HN    LEU   98   9.26 +/- 0.54   7.721% *  0.6819% (0.90   0.02   0.02) =   0.067%
          QG    GLU-  79 - HN    LEU   98  16.47 +/- 3.21   5.317% *  0.6351% (0.84   0.02   0.02) =   0.043%
          QG    GLN   32 - HN    LEU   98  13.57 +/- 1.80   2.720% *  0.4000% (0.53   0.02   0.02) =   0.014%
          HB2   GLN  116 - HN    LEU   98  16.62 +/- 1.20   1.350% *  0.6088% (0.80   0.02   0.02) =   0.011%
          HB2   PRO   58 - HN    LEU   98  17.53 +/- 4.27   2.948% *  0.1693% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.671, support = 4.17, residual support = 26.8:
          HB    VAL   41 - HN    LEU   98   4.65 +/- 1.50  35.914% * 41.6088% (0.65   5.09  26.53) =  58.385%  kept
          HG12  ILE  103 - HN    LEU   98   5.58 +/- 1.08  21.850% * 33.8748% (0.80   3.35  29.89) =  28.919%  kept
          HB    ILE  103 - HN    LEU   98   6.82 +/- 1.21  14.949% * 13.3412% (0.53   2.01  29.89) =   7.792%  kept
          HB3   ASP- 105 - HN    LEU   98   6.32 +/- 0.87  13.227% *  8.9065% (0.45   1.57   6.39) =   4.603%  kept
          QB    LYS+ 106 - HN    LEU   98   7.87 +/- 0.83   5.913% *  1.1251% (0.20   0.45   0.02) =   0.260%  kept
          HG3   PRO   68 - HN    LEU   98  15.66 +/- 3.56   2.526% *  0.1431% (0.57   0.02   0.02) =   0.014%
          HG    LEU  123 - HN    LEU   98  16.32 +/- 4.28   0.942% *  0.2477% (0.98   0.02   0.02) =   0.009%
          QB    LYS+  66 - HN    LEU   98  14.27 +/- 2.72   1.366% *  0.1133% (0.45   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    LEU   98  12.63 +/- 1.21   1.351% *  0.0862% (0.34   0.02   0.02) =   0.005%
          HB3   PRO   52 - HN    LEU   98  21.45 +/- 2.05   0.284% *  0.2477% (0.98   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    LEU   98  21.93 +/- 3.44   0.365% *  0.1230% (0.49   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   98  16.97 +/- 0.76   0.536% *  0.0563% (0.22   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU   98  19.62 +/- 2.66   0.513% *  0.0563% (0.22   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   98  22.54 +/- 1.87   0.263% *  0.0703% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.831, support = 4.86, residual support = 76.6:
      O   QB    LEU   98 - HN    LEU   98   2.79 +/- 0.34  66.168% * 97.2887% (0.84  10.0   4.88  77.09) =  99.394%  kept
          HB    VAL   42 - HN    LEU   98   5.59 +/- 1.87  19.343% *  1.9850% (0.18   1.0   1.95   0.36) =   0.593%  kept
          HD3   LYS+ 121 - HN    LEU   98  12.66 +/- 5.83   2.261% *  0.1162% (1.00   1.0   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    LEU   98  12.39 +/- 4.03   5.737% *  0.0397% (0.34   1.0   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    LEU   98  13.83 +/- 1.85   0.749% *  0.1154% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   98  17.22 +/- 4.37   0.657% *  0.1142% (0.98   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   98  14.07 +/- 2.58   0.701% *  0.0753% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   98  12.38 +/- 3.34   1.776% *  0.0259% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   98  15.36 +/- 1.31   0.518% *  0.0659% (0.57   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LEU   98  17.40 +/- 4.68   0.537% *  0.0613% (0.53   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   98  13.05 +/- 0.97   0.713% *  0.0259% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  16.70 +/- 3.25   0.660% *  0.0204% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.85 +/- 2.60   0.180% *  0.0659% (0.57   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 = 0.943, support = 4.3, residual support = 13.0:
          QD2   LEU   40 - HN    LEU   98   3.66 +/- 0.94  46.471% * 71.7420% (0.97   4.78   9.79) =  84.099%  kept
          QG2   ILE  103 - HN    LEU   98   5.09 +/- 0.88  23.668% * 25.0137% (0.87   1.85  29.89) =  14.934%  kept
          QD1   ILE  103 - HN    LEU   98   6.02 +/- 1.10  14.589% *  2.3998% (0.20   0.78  29.89) =   0.883%  kept
          QD1   LEU   67 - HN    LEU   98   9.58 +/- 2.93   7.348% *  0.2943% (0.95   0.02   0.02) =   0.055%
          HB    VAL   75 - HN    LEU   98  11.13 +/- 1.46   2.317% *  0.2259% (0.73   0.02   0.02) =   0.013%
          QD2   LEU   71 - HN    LEU   98   9.52 +/- 2.29   4.810% *  0.0865% (0.28   0.02   0.02) =   0.010%
          HG3   LYS+  74 - HN    LEU   98  14.90 +/- 1.67   0.797% *  0.2378% (0.76   0.02   0.02) =   0.005%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.555, support = 3.41, residual support = 48.2:
          QD1   LEU   98 - HN    LEU   98   3.93 +/- 0.90  31.621% * 46.9350% (0.38   4.76  77.09) =  54.000%  kept
          QD2   LEU  104 - HN    LEU   98   4.88 +/- 1.19  23.332% * 39.5641% (0.99   1.52  10.08) =  33.588%  kept
          QG1   VAL   41 - HN    LEU   98   4.43 +/- 1.03  28.658% * 11.3457% (0.15   2.80  26.53) =  11.830%  kept
          QG1   VAL   43 - HN    LEU   98   5.59 +/- 1.32  13.692% *  1.0955% (0.28   0.15   0.02) =   0.546%  kept
          QD1   ILE   19 - HN    LEU   98  12.65 +/- 1.38   1.054% *  0.4851% (0.92   0.02   0.02) =   0.019%
          QG2   THR   46 - HN    LEU   98  13.33 +/- 1.23   0.832% *  0.3187% (0.61   0.02   0.02) =   0.010%
          QG2   VAL   18 - HN    LEU   98  13.97 +/- 2.87   0.812% *  0.2558% (0.49   0.02   0.02) =   0.008%
    Distance limit 4.21 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 = 0.237, support = 4.1, residual support = 42.0:
          QG2   VAL   41 - HN    LEU   98   4.89 +/- 1.36  22.423% * 46.2329% (0.28   4.63  26.53) =  38.769%  kept
          QD2   LEU   98 - HN    LEU   98   3.52 +/- 0.77  39.468% * 25.9043% (0.15   4.68  77.09) =  38.235%  kept
          QD1   LEU  104 - HN    LEU   98   5.04 +/- 1.26  24.212% * 25.0813% (0.31   2.26  10.08) =  22.711%  kept
          QD1   LEU   73 - HN    LEU   98   9.13 +/- 1.63   3.480% *  0.6436% (0.90   0.02   0.02) =   0.084%
          QD2   LEU   63 - HN    LEU   98   9.54 +/- 2.75   3.640% *  0.5995% (0.84   0.02   0.02) =   0.082%
          QD1   LEU   63 - HN    LEU   98   9.75 +/- 2.65   2.994% *  0.6436% (0.90   0.02   0.02) =   0.072%
          QD2   LEU  115 - HN    LEU   98  11.49 +/- 1.63   1.987% *  0.4063% (0.57   0.02   0.02) =   0.030%
          QD2   LEU   80 - HN    LEU   98  14.51 +/- 3.54   0.998% *  0.3776% (0.53   0.02   0.02) =   0.014%
          QD1   LEU   80 - HN    LEU   98  15.35 +/- 3.94   0.799% *  0.1107% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.943, support = 4.78, residual support = 61.8:
      O   HB2   PHE   97 - HN    PHE   97   2.94 +/- 0.52  74.663% * 96.0698% (0.95  10.0   4.81  62.23) =  99.217%  kept
          QE    LYS+ 106 - HN    PHE   97   5.59 +/- 0.85  15.253% *  3.6835% (0.53   1.0   1.38  11.34) =   0.777%  kept
          QE    LYS+  99 - HN    PHE   97   9.31 +/- 0.85   3.160% *  0.0616% (0.61   1.0   0.02   0.02) =   0.003%
          HB3   TRP   27 - HN    PHE   97  14.81 +/- 2.12   0.941% *  0.0980% (0.97   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    PHE   97   9.40 +/- 1.24   3.883% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    PHE   97  13.55 +/- 2.21   1.429% *  0.0346% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    PHE   97  15.52 +/- 1.84   0.671% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 44.0:
          HG2   MET   96 - HN    PHE   97   3.92 +/- 0.71  93.521% * 99.4688% (0.73   5.59  43.98) =  99.988%  kept
          HB2   ASP-  62 - HN    PHE   97  14.70 +/- 3.99   5.296% *  0.1221% (0.25   0.02   0.02) =   0.007%
          HB2   PRO   52 - HN    PHE   97  18.64 +/- 2.73   1.183% *  0.4091% (0.84   0.02   0.02) =   0.005%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.13, residual support = 61.9:
      O   HB3   PHE   97 - HN    PHE   97   2.75 +/- 0.59  86.391% * 93.7717% (0.34  10.0   5.16  62.23) =  99.325%  kept
          HB    VAL  107 - HN    PHE   97   6.27 +/- 0.53  10.028% *  5.4239% (0.28   1.0   1.42   5.40) =   0.667%  kept
          HB2   GLU- 100 - HN    PHE   97  12.54 +/- 0.72   1.334% *  0.1667% (0.61   1.0   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    PHE   97  16.52 +/- 3.10   0.669% *  0.2743% (1.00   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    PHE   97  16.26 +/- 1.70   0.657% *  0.2296% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  14.25 +/- 1.25   0.922% *  0.1338% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.53, residual support = 53.2:
          HB2   ASP- 105 - HN    PHE   97   4.54 +/- 0.70  39.945% * 63.3130% (0.98   3.44  59.75) =  58.411%  kept
          HB2   MET   96 - HN    PHE   97   4.10 +/- 0.40  51.049% * 35.2347% (0.31   6.07  43.98) =  41.543%  kept
          HG12  ILE  119 - HN    PHE   97  11.36 +/- 3.33   4.123% *  0.1546% (0.41   0.02   1.48) =   0.015%
          HG2   GLU- 100 - HN    PHE   97  12.93 +/- 0.78   1.742% *  0.2874% (0.76   0.02   0.02) =   0.012%
          HG3   MET   92 - HN    PHE   97  15.14 +/- 1.58   1.081% *  0.3372% (0.90   0.02   0.02) =   0.008%
          HB3   ASP-  76 - HN    PHE   97  16.68 +/- 1.67   0.833% *  0.3141% (0.84   0.02   0.02) =   0.006%
          HB2   GLU-  29 - HN    PHE   97  18.99 +/- 1.79   0.554% *  0.3011% (0.80   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    PHE   97  17.87 +/- 1.82   0.673% *  0.0580% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.06, residual support = 43.9:
          HB3   MET   96 - HN    PHE   97   4.30 +/- 0.28  87.074% * 91.3842% (0.15   6.07  43.98) =  99.788%  kept
          HB3   PRO   58 - HN    PHE   97  17.25 +/- 3.48   2.287% *  1.9121% (0.98   0.02   0.02) =   0.055%
          HB3   GLN   30 - HN    PHE   97  14.30 +/- 1.70   2.804% *  1.4165% (0.73   0.02   0.02) =   0.050%
          HB2   MET   92 - HN    PHE   97  14.95 +/- 0.73   2.230% *  1.6921% (0.87   0.02   0.02) =   0.047%
          HB    ILE   56 - HN    PHE   97  14.29 +/- 1.78   2.815% *  0.7321% (0.38   0.02   0.02) =   0.026%
          HB3   LYS+  38 - HN    PHE   97  15.91 +/- 1.22   1.868% *  1.0263% (0.53   0.02   0.02) =   0.024%
          HB3   GLU-  14 - HN    PHE   97  23.44 +/- 2.85   0.637% *  0.7321% (0.38   0.02   0.02) =   0.006%
          HG3   MET   11 - HN    PHE   97  30.32 +/- 3.25   0.286% *  1.1044% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.626, support = 1.86, residual support = 2.2:
          QG2   ILE  103 - HN    PHE   97   3.49 +/- 0.71  67.815% * 55.5938% (0.61   2.00   2.29) =  85.726%  kept
          QD2   LEU   40 - HN    PHE   97   6.59 +/- 0.79  15.988% * 37.4468% (0.76   1.07   1.65) =  13.613%  kept
          QD1   ILE  119 - HN    PHE   97  10.96 +/- 2.55   4.120% *  4.9770% (0.25   0.43   1.48) =   0.466%  kept
          QD1   LEU   67 - HN    PHE   97  10.96 +/- 3.04   7.501% *  0.6668% (0.73   0.02   0.02) =   0.114%  kept
          HB    VAL   75 - HN    PHE   97  11.08 +/- 1.38   3.598% *  0.8686% (0.95   0.02   0.02) =   0.071%
          HG3   LYS+  74 - HN    PHE   97  15.60 +/- 1.23   0.978% *  0.4470% (0.49   0.02   0.02) =   0.010%
    Distance limit 4.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.99, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.65 +/- 0.16  90.022% * 95.7108% (0.24   3.99  11.98) =  99.888%  kept
          HB3   TRP   87 - HN    MET   96  12.17 +/- 3.55   5.623% *  1.0884% (0.54   0.02   0.02) =   0.071%
          HG3   GLN  116 - HN    MET   96  14.20 +/- 1.27   1.755% *  0.9358% (0.46   0.02   0.02) =   0.019%
          HG2   GLU-  25 - HN    MET   96  20.51 +/- 2.41   0.591% *  1.8845% (0.93   0.02   0.02) =   0.013%
          HG2   GLN  116 - HN    MET   96  13.58 +/- 1.43   2.009% *  0.3805% (0.19   0.02   0.02) =   0.009%
    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 = 4.02, residual support = 115.2:
      O   HB2   MET   96 - HN    MET   96   2.73 +/- 0.34  82.164% * 98.2810% (0.94  10.0   4.03 115.39) =  99.795%  kept
          HB2   ASP- 105 - HN    MET   96   7.51 +/- 1.28  11.861% *  1.3738% (0.42   1.0   0.62   0.02) =   0.201%  kept
          HB    VAL   70 - HN    MET   96  11.05 +/- 1.96   1.538% *  0.0715% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    MET   96  12.90 +/- 1.45   1.543% *  0.0677% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.70 +/- 0.79   0.538% *  0.0753% (0.72   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    MET   96  17.66 +/- 3.99   0.505% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  12.13 +/- 1.42   1.529% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  20.07 +/- 2.25   0.322% *  0.0518% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.4:
      O   HB3   MET   96 - HN    MET   96   2.80 +/- 0.33  94.681% * 99.5022% (0.57  10.0   3.97 115.39) =  99.994%  kept
          HB2   LEU   40 - HN    MET   96  11.59 +/- 0.71   1.549% *  0.1552% (0.89   1.0   0.02   0.02) =   0.003%
          HB3   ARG+  54 - HN    MET   96  16.79 +/- 2.73   0.838% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    MET   96  15.82 +/- 5.44   1.071% *  0.0863% (0.50   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    MET   96  12.40 +/- 2.70   1.542% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  22.38 +/- 2.80   0.225% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.39 +/- 2.78   0.095% *  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 = 0.201, support = 1.45, residual support = 15.4:
          HB    VAL   43 - HN    MET   96   3.70 +/- 0.72  69.815% * 60.1132% (0.19   1.50  16.03) =  96.270%  kept
          HG2   PRO   93 - HN    MET   96  10.74 +/- 0.68   3.905% * 23.1651% (0.46   0.24   0.02) =   2.075%  kept
          QB    LYS+  65 - HN    MET   96  12.06 +/- 3.10  10.586% *  3.3829% (0.79   0.02   0.02) =   0.821%  kept
          HB2   LEU   71 - HN    MET   96  12.85 +/- 2.72   4.684% *  3.5132% (0.82   0.02   0.02) =   0.377%  kept
          QB    LYS+ 102 - HN    MET   96  11.73 +/- 1.04   3.324% *  2.9410% (0.69   0.02   0.02) =   0.224%  kept
          HB2   LYS+  99 - HN    MET   96  11.22 +/- 0.77   3.256% *  1.1261% (0.26   0.02   0.02) =   0.084%
          QB    LYS+  66 - HN    MET   96  13.20 +/- 2.45   2.739% *  1.0099% (0.24   0.02   0.02) =   0.063%
          HB3   GLN   17 - HN    MET   96  19.39 +/- 3.43   0.720% *  3.7387% (0.87   0.02   0.02) =   0.062%
          QD    LYS+  81 - HN    MET   96  17.10 +/- 2.07   0.971% *  1.0099% (0.24   0.02   0.02) =   0.022%
    Distance limit 4.07 A violated in 0 structures by 0.11 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.847, support = 1.68, residual support = 3.18:
          QG2   THR   94 - HN    MET   96   4.07 +/- 0.32  81.646% * 92.2693% (0.85   1.68   3.19) =  99.579%  kept
          HB3   LYS+ 112 - HN    MET   96  13.27 +/- 2.47   4.296% *  4.7626% (0.82   0.09   0.02) =   0.270%  kept
          HD2   LYS+ 112 - HN    MET   96  13.54 +/- 2.97   4.284% *  1.1988% (0.93   0.02   0.02) =   0.068%
          HB3   LEU   71 - HN    MET   96  13.30 +/- 2.21   3.884% *  1.1570% (0.89   0.02   0.02) =   0.059%
          HG12  ILE   89 - HN    MET   96  12.59 +/- 2.66   3.522% *  0.2723% (0.21   0.02   0.02) =   0.013%
          HG3   LYS+ 111 - HN    MET   96  14.35 +/- 1.81   2.366% *  0.3401% (0.26   0.02   0.02) =   0.011%
    Distance limit 4.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.758, support = 2.93, residual support = 15.9:
          QG1   VAL   43 - HN    MET   96   3.88 +/- 0.68  64.926% * 93.3331% (0.76   2.96  16.03) =  99.189%  kept
          QG2   THR   46 - HN    MET   96   8.86 +/- 1.15   8.224% *  4.1717% (0.94   0.11   0.02) =   0.562%  kept
          QD2   LEU  104 - HN    MET   96   9.03 +/- 1.76  14.286% *  0.5724% (0.69   0.02   0.02) =   0.134%  kept
          QG1   VAL   41 - HN    MET   96   8.32 +/- 0.88   8.336% *  0.4781% (0.57   0.02   0.02) =   0.065%
          QG2   VAL   18 - HN    MET   96  13.34 +/- 3.65   2.515% *  0.7608% (0.91   0.02   0.02) =   0.031%
          QD1   ILE   19 - HN    MET   96  13.93 +/- 1.21   1.713% *  0.6838% (0.82   0.02   0.02) =   0.019%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.783, support = 0.666, residual support = 0.252:
          QD1   LEU   63 - HN    MET   96   7.93 +/- 3.21  17.633% * 30.3818% (0.85   0.72   0.36) =  36.703%  kept
          QD1   LEU   73 - HN    MET   96   7.96 +/- 2.49  18.629% * 22.8194% (0.85   0.54   0.13) =  29.125%  kept
          QD2   LEU   63 - HN    MET   96   8.55 +/- 2.90  11.990% * 20.8131% (0.79   0.53   0.36) =  17.097%  kept
          QD2   LEU  115 - HN    MET   96   8.39 +/- 1.33   9.705% * 24.6528% (0.54   0.93   0.11) =  16.392%  kept
          QD1   LEU  104 - HN    MET   96   9.06 +/- 1.83  10.933% *  0.2894% (0.29   0.02   0.02) =   0.217%  kept
          QG2   VAL   41 - HN    MET   96   7.59 +/- 1.03  10.244% *  0.2607% (0.26   0.02   0.02) =   0.183%  kept
          QD2   LEU   98 - HN    MET   96   6.86 +/- 1.39  14.755% *  0.1447% (0.15   0.02   0.35) =   0.146%  kept
          QD2   LEU   80 - HN    MET   96  12.13 +/- 2.79   3.194% *  0.4934% (0.50   0.02   0.02) =   0.108%  kept
          QD1   LEU   80 - HN    MET   96  12.71 +/- 3.29   2.918% *  0.1447% (0.15   0.02   0.02) =   0.029%
    Distance limit 4.68 A violated in 0 structures by 0.25 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.59, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96   9.35 +/- 2.54  38.241% * 55.1266% (0.72   0.02   0.02) =  58.780%  kept
          QG2   VAL   83 - HN    MET   96   9.52 +/- 2.81  34.536% * 35.1112% (0.46   0.02   0.02) =  33.811%  kept
          QD2   LEU   31 - HN    MET   96  10.38 +/- 1.84  27.222% *  9.7622% (0.13   0.02   0.02) =   7.410%  kept
    Distance limit 4.54 A violated in 17 structures by 2.80 A, eliminated.
    Peak unassigned.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.71 +/- 0.20 100.000% *100.0000% (0.87  10.0   3.86  73.46) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.67 +/- 0.12  95.940% * 99.8580% (0.98  10.0   4.19  73.46) =  99.996%  kept
          HG2   GLN  116 - HN    PHE   95  12.14 +/- 1.56   3.627% *  0.0964% (0.95   1.0   0.02   0.02) =   0.004%
          HG2   GLU-  25 - HN    PHE   95  23.19 +/- 2.73   0.433% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.982, support = 3.07, residual support = 41.3:
          HB    VAL  107 - HN    PHE   95   3.73 +/- 0.72  62.181% * 89.8875% (0.99   3.15  42.47) =  97.107%  kept
          HB3   PHE   45 - HN    PHE   95   6.56 +/- 1.32  22.219% *  4.4366% (0.69   0.22   1.89) =   1.713%  kept
          QE    LYS+ 112 - HN    PHE   95   9.77 +/- 2.83  13.622% *  4.9511% (0.69   0.25   4.12) =   1.172%  kept
          QG    GLU-  79 - HN    PHE   95  15.13 +/- 2.39   1.218% *  0.2159% (0.38   0.02   0.02) =   0.005%
          QG    GLN   32 - HN    PHE   95  20.33 +/- 1.41   0.437% *  0.3952% (0.69   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    PHE   95  22.92 +/- 1.97   0.322% *  0.1138% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.807, support = 4.35, residual support = 17.2:
          QG2   THR   94 - HN    PHE   95   2.34 +/- 0.40  64.965% * 79.0439% (0.87   4.34  14.75) =  90.931%  kept
          QG2   VAL  107 - HN    PHE   95   3.78 +/- 0.93  27.269% * 18.6326% (0.20   4.48  42.47) =   8.997%  kept
          HB3   LYS+ 112 - HN    PHE   95  10.60 +/- 2.28   1.644% *  1.6915% (0.90   0.09   4.12) =   0.049%
          HD2   LYS+ 112 - HN    PHE   95  10.79 +/- 2.90   4.769% *  0.2045% (0.49   0.02   4.12) =   0.017%
          HG13  ILE  103 - HN    PHE   95   9.94 +/- 1.30   1.112% *  0.2548% (0.61   0.02   0.02) =   0.005%
          HB3   LEU   71 - HN    PHE   95  17.01 +/- 2.16   0.240% *  0.1727% (0.41   0.02   0.02) =   0.001%
    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 = 25.0:
      O   HB    THR   94 - HN    THR   94   2.69 +/- 0.21  86.553% * 98.9931% (0.65  10.0   3.08  24.99) =  99.985%  kept
          HA    LYS+  65 - HN    THR   94  14.26 +/- 3.71   4.412% *  0.1413% (0.92   1.0   0.02   0.02) =   0.007%
          QB    SER   48 - HN    THR   94  11.30 +/- 0.80   1.262% *  0.1169% (0.76   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    THR   94  10.35 +/- 1.66   2.011% *  0.0522% (0.34   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    THR   94  14.01 +/- 1.38   0.683% *  0.1477% (0.97   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    THR   94  13.14 +/- 1.60   0.927% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    THR   94  12.95 +/- 2.14   2.116% *  0.0268% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  17.55 +/- 1.78   0.383% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    THR   94  12.92 +/- 1.29   0.974% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.04 +/- 1.82   0.330% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  23.78 +/- 5.00   0.178% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.19 +/- 1.94   0.170% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 27.4:
          HB2   PHE   45 - HN    THR   94   2.66 +/- 0.74  96.074% * 98.8926% (0.95   2.96  27.37) =  99.973%  kept
          QE    LYS+ 111 - HN    THR   94  11.55 +/- 2.11   3.136% *  0.7071% (1.00   0.02   0.02) =   0.023%
          HB2   CYS   21 - HN    THR   94  15.60 +/- 2.74   0.790% *  0.4003% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.551, support = 1.43, residual support = 25.2:
          HB3   PHE   45 - HN    THR   94   3.21 +/- 1.09  61.409% * 59.3728% (0.57   1.50  27.37) =  92.068%  kept
          QE    LYS+ 112 - HN    THR   94   9.67 +/- 3.27  13.565% *  9.9189% (0.57   0.25   0.02) =   3.398%  kept
          HB    VAL  107 - HN    THR   94   7.60 +/- 0.88   7.804% * 15.9462% (0.20   1.15   0.02) =   3.142%  kept
          HG3   MET   96 - HN    THR   94   9.45 +/- 0.86   3.818% * 10.8406% (0.28   0.56   3.19) =   1.045%  kept
          HB3   ASP-  62 - HN    THR   94  12.16 +/- 3.58  10.882% *  0.9605% (0.69   0.02   0.02) =   0.264%  kept
          HB3   ASP-  86 - HN    THR   94  13.38 +/- 2.11   2.101% *  1.3859% (0.99   0.02   0.02) =   0.074%
          HG2   GLU-  29 - HN    THR   94  23.28 +/- 2.30   0.256% *  1.3859% (0.99   0.02   0.02) =   0.009%
          HG2   GLU-  36 - HN    THR   94  26.78 +/- 1.59   0.165% *  0.1892% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.38, residual support = 15.7:
      O   HB2   PRO   93 - HN    THR   94   3.89 +/- 0.17  76.489% * 99.5171% (0.98  10.0   4.38  15.66) =  99.983%  kept
          HB    VAL  108 - HN    THR   94   9.31 +/- 1.87   7.965% *  0.0697% (0.69   1.0   0.02   0.02) =   0.007%
          HG3   PRO   52 - HN    THR   94  10.84 +/- 2.53   5.463% *  0.0417% (0.41   1.0   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    THR   94  12.73 +/- 1.58   2.822% *  0.0776% (0.76   1.0   0.02   0.02) =   0.003%
          HG2   PRO   58 - HN    THR   94  13.08 +/- 1.91   2.491% *  0.0417% (0.41   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    THR   94  13.80 +/- 1.88   2.185% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.72 +/- 1.73   0.883% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    THR   94  21.90 +/- 0.89   0.445% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.81 +/- 2.41   0.799% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  25.23 +/- 2.70   0.314% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  32.32 +/- 2.67   0.144% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.891, support = 2.83, residual support = 15.5:
      O   HB3   PRO   93 - HN    THR   94   3.74 +/- 0.28  49.090% * 94.9284% (0.90  10.0   2.85  15.66) =  98.716%  kept
          HB3   ASP-  44 - HN    THR   94   6.22 +/- 0.74  13.749% *  4.2389% (0.49   1.0   1.65   0.02) =   1.235%  kept
          HG3   LYS+  65 - HN    THR   94  14.12 +/- 4.55  11.940% *  0.0599% (0.57   1.0   0.02   0.02) =   0.015%
          QB    ALA   84 - HN    THR   94   9.38 +/- 1.15   3.813% *  0.0918% (0.87   1.0   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - HN    THR   94  11.18 +/- 2.19   3.380% *  0.0809% (0.76   1.0   0.02   0.02) =   0.006%
          HB3   LEU   73 - HN    THR   94  11.97 +/- 2.87   3.796% *  0.0685% (0.65   1.0   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    THR   94  11.06 +/- 1.48   2.282% *  0.0918% (0.87   1.0   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    THR   94  11.18 +/- 1.15   2.129% *  0.0599% (0.57   1.0   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    THR   94  11.32 +/- 3.03   3.172% *  0.0397% (0.38   1.0   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    THR   94  12.59 +/- 3.21   3.739% *  0.0294% (0.28   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    THR   94  14.06 +/- 2.07   1.125% *  0.0809% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    THR   94  19.02 +/- 1.47   0.422% *  0.0727% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    THR   94  19.95 +/- 1.92   0.402% *  0.0685% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    THR   94  21.66 +/- 1.70   0.276% *  0.0515% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.72 +/- 2.35   0.477% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  25.01 +/- 2.70   0.208% *  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 = 0.358, support = 3.38, residual support = 24.1:
          QG2   THR   94 - HN    THR   94   3.77 +/- 0.15  76.127% * 64.7788% (0.34   3.51  24.99) =  95.463%  kept
          HG12  ILE   89 - HN    THR   94   8.96 +/- 1.54   7.014% * 31.0004% (0.76   0.75   5.05) =   4.209%  kept
          HB3   LYS+ 112 - HN    THR   94  11.01 +/- 2.35   5.267% *  1.4988% (0.31   0.09   0.02) =   0.153%  kept
          HD2   LYS+ 112 - HN    THR   94  10.84 +/- 2.73   6.102% *  0.7855% (0.73   0.02   0.02) =   0.093%
          HG3   LYS+ 111 - HN    THR   94  11.89 +/- 2.16   3.696% *  0.9035% (0.84   0.02   0.02) =   0.065%
          HB3   LEU   71 - HN    THR   94  17.48 +/- 1.78   0.839% *  0.8662% (0.80   0.02   0.02) =   0.014%
          HG    LEU   71 - HN    THR   94  17.94 +/- 2.46   0.955% *  0.1669% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.894, support = 0.747, residual support = 5.03:
          QG2   ILE   89 - HN    THR   94   6.33 +/- 1.93  67.744% * 99.1801% (0.90   0.75   5.05) =  99.608%  kept
          QG1   VAL   83 - HN    THR   94  10.02 +/- 2.23  32.256% *  0.8199% (0.28   0.02   0.10) =   0.392%  kept
    Distance limit 4.64 A violated in 7 structures by 1.29 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.342, support = 3.12, residual support = 45.2:
          HG3   MET   92 - HN    MET   92   3.89 +/- 0.63  70.926% * 40.3593% (0.14   4.04  62.93) =  71.646%  kept
          QG    GLN   90 - HN    MET   92   6.45 +/- 0.85  21.691% * 51.7946% (0.87   0.81   0.22) =  28.119%  kept
          HB2   ASP-  44 - HN    MET   92  11.21 +/- 1.47   4.093% *  1.4460% (0.98   0.02   0.02) =   0.148%  kept
          HB3   PHE   72 - HN    MET   92  17.66 +/- 1.40   0.938% *  1.3618% (0.92   0.02   0.02) =   0.032%
          HG12  ILE  119 - HN    MET   92  17.06 +/- 2.44   1.174% *  0.7761% (0.53   0.02   0.02) =   0.023%
          QG    GLU-  15 - HN    MET   92  25.98 +/- 3.60   0.343% *  1.4752% (1.00   0.02   0.02) =   0.013%
          QG    GLU-  14 - HN    MET   92  25.53 +/- 3.29   0.348% *  1.4237% (0.97   0.02   0.02) =   0.012%
          QB    MET   11 - HN    MET   92  31.79 +/- 3.18   0.163% *  1.0712% (0.73   0.02   0.02) =   0.004%
          HB2   GLU-  29 - HN    MET   92  25.25 +/- 3.01   0.324% *  0.2919% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.995, support = 3.93, residual support = 62.7:
      O   HB2   MET   92 - HN    MET   92   2.99 +/- 0.47  81.095% * 97.5424% (1.00  10.0   3.94  62.93) =  99.708%  kept
          HB3   GLN   90 - HN    MET   92   6.38 +/- 0.59  11.299% *  2.0226% (0.18   1.0   2.36   0.22) =   0.288%  kept
          HB    ILE   56 - HN    MET   92  12.52 +/- 2.59   2.028% *  0.0632% (0.65   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    MET   92  11.19 +/- 1.91   2.807% *  0.0218% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  18.34 +/- 2.56   0.632% *  0.0943% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    MET   92  12.54 +/- 1.25   1.300% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  21.33 +/- 2.84   0.320% *  0.0925% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  28.28 +/- 1.79   0.122% *  0.0783% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  23.90 +/- 2.33   0.213% *  0.0132% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.09 +/- 3.23   0.117% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  35.69 +/- 3.62   0.066% *  0.0302% (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 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.563, support = 4.28, residual support = 62.4:
      O   HB3   MET   92 - HN    MET   92   3.47 +/- 0.51  64.980% * 94.2237% (0.57  10.0   4.29  62.93) =  99.064%  kept
          HG3   PRO   93 - HN    MET   92   6.54 +/- 0.37  11.318% *  4.9645% (0.20   1.0   3.01   1.94) =   0.909%  kept
          HB    ILE   89 - HN    MET   92   6.51 +/- 1.06  13.888% *  0.0415% (0.25   1.0   0.02   0.02) =   0.009%
          QG1   ILE   56 - HN    MET   92  11.29 +/- 2.30   3.494% *  0.1272% (0.76   1.0   0.02   0.02) =   0.007%
          QD    LYS+ 106 - HN    MET   92  13.26 +/- 1.83   1.553% *  0.1493% (0.90   1.0   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    MET   92  14.42 +/- 3.33   2.043% *  0.0746% (0.45   1.0   0.02   0.02) =   0.002%
          HB2   LEU   73 - HN    MET   92  16.01 +/- 2.52   1.005% *  0.1209% (0.73   1.0   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    MET   92  21.62 +/- 1.18   0.317% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    MET   92  23.52 +/- 3.69   1.129% *  0.0371% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  22.81 +/- 1.20   0.273% *  0.1077% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 3.67, residual support = 14.7:
          QB    ALA   91 - HN    MET   92   3.25 +/- 0.54  88.327% * 96.8092% (1.00   3.68  14.69) =  99.953%  kept
          QG2   ILE   56 - HN    MET   92   9.58 +/- 2.30   6.916% *  0.3626% (0.69   0.02   0.02) =   0.029%
          HG2   LYS+  74 - HN    MET   92  14.10 +/- 2.28   1.805% *  0.3415% (0.65   0.02   0.02) =   0.007%
          QG2   THR   39 - HN    MET   92  20.92 +/- 1.39   0.429% *  0.5267% (1.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    MET   92  23.19 +/- 3.34   0.374% *  0.4579% (0.87   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    MET   92  19.38 +/- 1.63   0.561% *  0.2569% (0.49   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    MET   92  22.60 +/- 2.36   0.334% *  0.3202% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  24.21 +/- 1.36   0.271% *  0.3626% (0.69   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  18.52 +/- 3.11   0.821% *  0.1045% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  28.87 +/- 1.98   0.163% *  0.4579% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 2.48, residual support = 7.75:
          HA    ILE   89 - HN    ALA   91   4.20 +/- 0.52  75.980% * 96.1935% (0.61   2.48   7.75) =  99.949%  kept
          HB    THR  118 - HN    ALA   91  19.32 +/- 1.74   1.013% *  1.2077% (0.95   0.02   0.02) =   0.017%
          HB3   SER   82 - HN    ALA   91  13.62 +/- 1.02   2.685% *  0.2236% (0.18   0.02   0.02) =   0.008%
          HB    THR  118 - HN    TRP   27  21.16 +/- 4.61   3.557% *  0.1492% (0.12   0.02   0.02) =   0.007%
          HB3   SER   37 - HN    TRP   27  15.09 +/- 1.86   2.232% *  0.0957% (0.07   0.02   0.02) =   0.003%
          QB    SER   13 - HN    TRP   27  15.05 +/- 3.52   3.145% *  0.0649% (0.05   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    TRP   27  17.31 +/- 9.93   7.346% *  0.0276% (0.02   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    ALA   91  30.22 +/- 1.83   0.238% *  0.7743% (0.61   0.02   0.02) =   0.003%
          HB    THR   39 - HN    ALA   91  27.27 +/- 1.50   0.317% *  0.5724% (0.45   0.02   0.02) =   0.002%
          HB    THR   39 - HN    TRP   27  14.79 +/- 2.33   2.421% *  0.0707% (0.06   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   91  30.01 +/- 2.71   0.263% *  0.5248% (0.41   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    TRP   27  22.48 +/- 5.11   0.803% *  0.0957% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.28 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.711, support = 4.9, residual support = 31.3:
          HB2   GLN   90 - HN    ALA   91   3.50 +/- 0.86  49.754% * 91.7603% (0.73   4.96  32.02) =  97.745%  kept
          HB2   GLU-  25 - HN    TRP   27   4.95 +/- 0.26  20.711% *  2.5022% (0.02   4.01   0.59) =   1.110%  kept
          HG3   GLU-  29 - HN    TRP   27   5.98 +/- 0.63  14.306% *  3.1795% (0.11   1.13   0.02) =   0.974%  kept
          HB3   GLU-  29 - HN    TRP   27   6.76 +/- 0.41   8.549% *  0.8873% (0.07   0.54   0.02) =   0.162%  kept
          HB3   GLU-  79 - HN    ALA   91  13.35 +/- 1.72   1.407% *  0.1009% (0.20   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ALA   91  27.58 +/- 3.85   0.145% *  0.4574% (0.90   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ALA   91  31.64 +/- 1.61   0.085% *  0.4824% (0.95   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    ALA   91  28.08 +/- 3.56   0.134% *  0.2683% (0.53   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  13.98 +/- 7.35   2.751% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  18.32 +/- 1.30   0.462% *  0.0596% (0.12   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  25.57 +/- 4.64   0.194% *  0.1009% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.26 +/- 0.75   1.148% *  0.0157% (0.03   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  28.67 +/- 1.87   0.115% *  0.1272% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  23.89 +/- 4.82   0.237% *  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 = 0.97, support = 4.89, residual support = 31.6:
          HB3   GLN   90 - HN    ALA   91   3.00 +/- 0.80  52.047% * 89.4168% (0.99   4.95  32.02) =  97.504%  kept
          HB2   MET   92 - HN    ALA   91   4.91 +/- 1.14  16.437% *  7.0737% (0.15   2.52  14.69) =   2.436%  kept
          QB    LYS+  81 - HN    ALA   91   9.94 +/- 1.13   1.821% *  0.3515% (0.97   0.02   0.02) =   0.013%
          HG2   ARG+  54 - HN    ALA   91  15.56 +/- 3.31   1.445% *  0.3515% (0.97   0.02   0.02) =   0.011%
          HB3   PRO   52 - HN    ALA   91  11.48 +/- 4.32   4.392% *  0.0908% (0.25   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    ALA   91  14.70 +/- 1.70   0.806% *  0.3445% (0.95   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    ALA   91  15.34 +/- 3.15   0.748% *  0.2062% (0.57   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    TRP   27   9.14 +/- 1.06   3.168% *  0.0450% (0.12   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    TRP   27   5.47 +/- 0.69  12.214% *  0.0112% (0.03   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   91  20.39 +/- 2.52   0.313% *  0.3445% (0.95   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ALA   91  26.21 +/- 4.26   0.284% *  0.3362% (0.92   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   91  20.88 +/- 1.59   0.249% *  0.3570% (0.98   0.02   0.02) =   0.002%
          HG    LEU  123 - HN    ALA   91  26.20 +/- 4.88   0.752% *  0.0908% (0.25   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    TRP   27  16.39 +/- 6.86   1.131% *  0.0434% (0.12   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ALA   91  25.75 +/- 2.52   0.128% *  0.3642% (1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    TRP   27  17.81 +/- 3.85   0.508% *  0.0426% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  19.40 +/- 3.57   0.437% *  0.0441% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  20.09 +/- 3.33   0.417% *  0.0415% (0.11   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  17.93 +/- 2.69   0.405% *  0.0426% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  23.41 +/- 3.17   0.182% *  0.0908% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  30.78 +/- 1.75   0.074% *  0.1497% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  23.86 +/- 4.55   0.242% *  0.0434% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  23.84 +/- 4.81   0.169% *  0.0446% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  24.09 +/- 5.10   0.669% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.19 +/- 3.99   0.275% *  0.0255% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  18.52 +/- 1.43   0.371% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  24.89 +/- 2.88   0.144% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  22.46 +/- 2.93   0.172% *  0.0069% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.61, residual support = 14.4:
      O   QB    ALA   91 - HN    ALA   91   2.47 +/- 0.19  75.355% * 99.2924% (0.92  10.0   3.61  14.40) =  99.996%  kept
          QG2   ILE   56 - HN    ALA   91  11.89 +/- 2.61   1.149% *  0.0993% (0.92   1.0   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    TRP   27   4.78 +/- 0.78  15.753% *  0.0055% (0.05   1.0   0.02   1.30) =   0.001%
          QB    ALA   34 - HN    TRP   27   9.10 +/- 0.96   1.798% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  16.36 +/- 1.82   0.317% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.48 +/- 2.44   0.885% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  21.33 +/- 1.69   0.131% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  22.95 +/- 1.56   0.101% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.35 +/- 1.22   1.201% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  19.45 +/- 3.52   0.215% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  25.61 +/- 3.29   0.082% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  31.37 +/- 1.76   0.040% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.16 +/- 2.89   0.293% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  18.07 +/- 3.67   0.653% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.49 +/- 3.01   0.769% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  13.48 +/- 3.17   0.673% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  18.45 +/- 3.31   0.245% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  25.15 +/- 2.78   0.081% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  26.79 +/- 1.94   0.064% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.61 +/- 1.61   0.192% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.385, support = 0.02, residual support = 0.02:
          HB3   TRP   87 - HE22  GLN   90  11.09 +/- 1.42  34.207% * 18.6359% (0.49   0.02   0.02) =  53.060%  kept
          HG2   GLU-  36 - HE22  GLN   32  10.41 +/- 1.15  39.842% *  7.7282% (0.20   0.02   0.02) =  25.628%  kept
          HG3   GLN  116 - HE22  GLN   90  26.62 +/- 3.66   3.609% * 21.6759% (0.57   0.02   0.02) =   6.512%  kept
          HG3   MET   96 - HE22  GLN   90  21.03 +/- 2.81   5.816% * 11.8170% (0.31   0.02   0.02) =   5.721%  kept
          HG3   MET   96 - HE22  GLN   32  19.33 +/- 3.42   8.916% *  4.5337% (0.12   0.02   0.02) =   3.364%  kept
          HB3   TRP   87 - HE22  GLN   32  26.72 +/- 7.38   4.438% *  7.1499% (0.19   0.02   0.02) =   2.641%  kept
          HG3   GLN  116 - HE22  GLN   32  30.63 +/- 5.08   2.280% *  8.3162% (0.22   0.02   0.02) =   1.578%  kept
          HG2   GLU-  36 - HE22  GLN   90  37.32 +/- 3.29   0.892% * 20.1433% (0.53   0.02   0.02) =   1.496%  kept
    Distance limit 5.50 A violated in 20 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.33, residual support = 159.5:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.01  98.889% * 99.2019% (0.18  10.0   5.33 159.55) =  99.996%  kept
          HA    ALA   20 - HN    LYS+ 102  20.44 +/- 3.23   0.358% *  0.5652% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU   71 - HN    LYS+ 102  15.91 +/- 2.57   0.754% *  0.2329% (0.41   1.0   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.38 +/- 0.14  89.788% * 99.3899% (0.61  10.0   3.13  12.50) =  99.993%  kept
          HA    ALA   34 - HN    LYS+ 102  11.16 +/- 1.92   3.244% *  0.0674% (0.41   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    LYS+ 102  18.34 +/- 3.86   1.029% *  0.1624% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LYS+ 102  13.99 +/- 4.41   3.317% *  0.0409% (0.25   1.0   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    LYS+ 102  20.90 +/- 1.97   0.410% *  0.1252% (0.76   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LYS+ 102  18.64 +/- 2.11   0.582% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  19.97 +/- 2.91   0.506% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  19.14 +/- 4.28   0.889% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.89 +/- 1.56   0.236% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   2.73 +/- 0.55  98.137% * 99.6785% (0.28  10.0   3.13  12.50) =  99.997%  kept
          HB2   TRP   27 - HN    LYS+ 102  16.90 +/- 3.96   1.660% *  0.1607% (0.45   1.0   0.02   0.02) =   0.003%
          HD2   PRO   93 - HN    LYS+ 102  23.33 +/- 0.85   0.203% *  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 = 0.796, support = 0.02, residual support = 0.02:
          QB    GLU- 114 - HN    LYS+ 102  18.24 +/- 1.61  13.495% * 12.0512% (0.84   0.02   0.02) =  16.149%  kept
          HB    ILE   19 - HN    LYS+ 102  17.75 +/- 3.20  14.123% * 11.0262% (0.76   0.02   0.02) =  15.463%  kept
          QB    GLU-  15 - HN    LYS+ 102  19.96 +/- 3.33  10.682% * 13.6482% (0.95   0.02   0.02) =  14.477%  kept
          HB3   GLU-  25 - HN    LYS+ 102  21.28 +/- 4.16   8.419% * 14.4279% (1.00   0.02   0.02) =  12.061%  kept
          HG2   PRO   68 - HN    LYS+ 102  20.74 +/- 4.14  10.947% *  9.9106% (0.69   0.02   0.02) =  10.773%  kept
          HB2   GLN   17 - HN    LYS+ 102  23.17 +/- 3.09   6.076% * 13.6482% (0.95   0.02   0.02) =   8.234%  kept
          HG3   GLN   30 - HN    LYS+ 102  15.22 +/- 3.26  21.817% *  3.5976% (0.25   0.02   0.02) =   7.794%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  23.69 +/- 1.73   6.008% * 12.9393% (0.90   0.02   0.02) =   7.720%  kept
          HB3   PRO   68 - HN    LYS+ 102  21.65 +/- 3.69   8.433% *  8.7509% (0.61   0.02   0.02) =   7.328%  kept
    Distance limit 4.55 A violated in 20 structures by 7.73 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.974, support = 4.8, residual support = 158.0:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.56 +/- 0.19  83.018% * 92.3572% (0.98  10.0   4.81 159.55) =  98.844%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.27 +/- 1.05  12.468% *  7.1691% (0.45   1.0   3.39  23.65) =   1.152%  kept
          HB    VAL   41 - HN    LYS+ 102   8.92 +/- 2.14   2.950% *  0.0571% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LYS+ 102  14.88 +/- 3.37   0.628% *  0.0845% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    LYS+ 102  20.41 +/- 2.76   0.194% *  0.0870% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  20.25 +/- 2.69   0.214% *  0.0754% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  23.09 +/- 0.81   0.119% *  0.0924% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  23.16 +/- 3.14   0.127% *  0.0354% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  21.49 +/- 5.02   0.211% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.62 +/- 1.30   0.071% *  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 = 4.14, residual support = 125.0:
          HG2   LYS+ 102 - HN    LYS+ 102   3.63 +/- 0.29  61.674% * 59.6197% (0.28   4.58 159.55) =  78.092%  kept
          QB    LEU   98 - HN    LYS+ 102   4.89 +/- 0.75  30.693% * 33.4438% (0.28   2.57   1.96) =  21.800%  kept
          QB    ALA   61 - HN    LYS+ 102  18.15 +/- 4.08   1.236% *  0.8398% (0.90   0.02   0.02) =   0.022%
          HD3   LYS+ 121 - HN    LYS+ 102  16.51 +/- 6.90   1.468% *  0.5301% (0.57   0.02   0.02) =   0.017%
          HG12  ILE   19 - HN    LYS+ 102  17.93 +/- 3.80   0.788% *  0.9343% (1.00   0.02   0.02) =   0.016%
          HG    LEU   80 - HN    LYS+ 102  20.72 +/- 5.69   0.553% *  0.9281% (0.99   0.02   0.02) =   0.011%
          HG    LEU   73 - HN    LYS+ 102  15.51 +/- 3.04   1.236% *  0.3514% (0.38   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    LYS+ 102  18.69 +/- 3.33   0.594% *  0.7156% (0.76   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    LYS+ 102  19.96 +/- 1.42   0.400% *  0.9343% (1.00   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    LYS+ 102  20.93 +/- 5.24   0.500% *  0.6800% (0.73   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HN    LYS+ 102  19.29 +/- 2.21   0.474% *  0.4927% (0.53   0.02   0.02) =   0.005%
          QG    LYS+  66 - HN    LYS+ 102  20.75 +/- 2.90   0.384% *  0.5301% (0.57   0.02   0.02) =   0.004%
    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 = 0.551, support = 1.6, residual support = 1.17:
          QD1   LEU   98 - HN    LYS+ 102   4.55 +/- 1.54  40.332% * 50.3045% (0.18   2.74   1.96) =  50.908%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.14 +/- 1.18  45.885% * 42.3569% (0.95   0.43   0.35) =  48.766%  kept
          QG1   VAL   41 - HN    LYS+ 102   6.79 +/- 1.58   8.936% *  0.7159% (0.34   0.02   0.02) =   0.161%  kept
          QG1   VAL   43 - HN    LYS+ 102   9.86 +/- 1.68   3.233% *  1.1042% (0.53   0.02   0.02) =   0.090%
          QD1   ILE   19 - HN    LYS+ 102  15.52 +/- 2.65   0.774% *  2.0941% (1.00   0.02   0.02) =   0.041%
          QG2   THR   46 - HN    LYS+ 102  18.58 +/- 1.45   0.400% *  1.8205% (0.87   0.02   0.02) =   0.018%
          QG2   VAL   18 - HN    LYS+ 102  18.37 +/- 2.63   0.441% *  1.6039% (0.76   0.02   0.02) =   0.018%
    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 = 6.44, residual support = 40.6:
      O   HA    ILE   89 - HN    GLN   90   2.67 +/- 0.51  97.716% * 99.5753% (0.61  10.0   6.44  40.57) =  99.999%  kept
          HB3   SER   82 - HN    GLN   90  12.19 +/- 1.21   1.711% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLN   90  20.28 +/- 1.91   0.275% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  27.43 +/- 2.09   0.123% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  30.34 +/- 2.42   0.085% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  30.71 +/- 2.94   0.090% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.10 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.891, support = 5.91, residual support = 92.7:
          QG    GLN   90 - HN    GLN   90   3.11 +/- 0.93  73.327% * 92.1317% (0.90   6.03  94.70) =  97.880%  kept
          HG3   MET   92 - HN    GLN   90   6.97 +/- 2.00  23.760% *  6.1308% (0.61   0.59   0.22) =   2.110%  kept
          HB2   ASP-  44 - HN    GLN   90  15.13 +/- 1.66   0.995% *  0.2475% (0.73   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    GLN   90  21.36 +/- 2.66   0.532% *  0.3379% (0.99   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    GLN   90  21.03 +/- 1.32   0.356% *  0.2847% (0.84   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLN   90  26.82 +/- 4.46   0.200% *  0.2475% (0.73   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    GLN   90  28.10 +/- 3.52   0.160% *  0.2605% (0.76   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLN   90  20.24 +/- 2.04   0.440% *  0.0850% (0.25   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    GLN   90  28.89 +/- 3.75   0.146% *  0.2068% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  34.04 +/- 3.19   0.084% *  0.0675% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.922, support = 5.58, residual support = 94.4:
      O   HB3   GLN   90 - HN    GLN   90   3.10 +/- 0.43  74.791% * 97.9721% (0.92  10.0   5.59  94.70) =  99.730%  kept
          HB2   MET   92 - HN    GLN   90   6.12 +/- 1.75  16.064% *  1.1810% (0.38   1.0   0.59   0.22) =   0.258%  kept
          QB    LYS+  81 - HN    GLN   90   9.11 +/- 1.32   4.464% *  0.1024% (0.97   1.0   0.02   0.02) =   0.006%
          HG2   ARG+  54 - HN    GLN   90  17.42 +/- 3.52   1.231% *  0.0771% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   90  14.75 +/- 2.02   0.873% *  0.1040% (0.98   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    GLN   90  16.94 +/- 3.22   0.765% *  0.0921% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  19.99 +/- 3.25   0.416% *  0.0729% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  21.19 +/- 2.13   0.305% *  0.0811% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  27.18 +/- 4.34   0.304% *  0.0687% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  25.77 +/- 3.08   0.166% *  0.0921% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  23.58 +/- 3.85   0.238% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  30.82 +/- 2.44   0.097% *  0.0771% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  22.79 +/- 2.80   0.287% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.3, residual support = 40.6:
          QG2   ILE   89 - HN    GLN   90   3.41 +/- 0.49 100.000% *100.0000% (0.65   7.30  40.57) = 100.000%  kept
    Distance limit 3.95 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 = 5.89, residual support = 40.5:
          QD1   ILE   89 - HN    GLN   90   4.55 +/- 0.60  68.953% * 99.5466% (0.49   5.89  40.57) =  99.924%  kept
          QG2   VAL   83 - HN    GLN   90   7.28 +/- 1.04  23.089% *  0.1731% (0.25   0.02   0.02) =   0.058%
          QG2   VAL   75 - HN    GLN   90  11.82 +/- 1.99   6.062% *  0.1731% (0.25   0.02   0.02) =   0.015%
          QG2   VAL   42 - HN    GLN   90  16.20 +/- 1.52   1.896% *  0.1071% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.49 A violated in 0 structures by 0.29 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 9.71:
      O   HA    ALA   88 - HN    ILE   89   3.18 +/- 0.27  81.476% * 99.4024% (0.99  10.0   4.11   9.71) =  99.991%  kept
          QB    SER   85 - HN    ILE   89   6.14 +/- 0.40  11.658% *  0.0223% (0.22   1.0   0.02   0.02) =   0.003%
          HB2   SER   82 - HN    ILE   89  10.40 +/- 0.70   2.462% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ILE   89  14.53 +/- 2.70   1.313% *  0.0968% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  15.17 +/- 2.72   1.036% *  0.0870% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    ILE   89  26.08 +/- 5.86   0.245% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  25.43 +/- 6.25   0.245% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  25.61 +/- 6.04   0.247% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  22.27 +/- 3.98   0.370% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  21.63 +/- 2.60   0.464% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  28.26 +/- 4.84   0.160% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  23.92 +/- 2.36   0.218% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  31.55 +/- 5.48   0.107% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.0, residual support = 217.0:
      O   HA    ILE   89 - HN    ILE   89   2.78 +/- 0.11  98.957% * 99.5011% (0.34  10.0   6.00 217.01) =  99.999%  kept
          HB    THR  118 - HN    ILE   89  19.98 +/- 2.83   0.324% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  19.06 +/- 2.91   0.391% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  28.82 +/- 3.76   0.106% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  25.96 +/- 3.24   0.138% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  30.36 +/- 3.33   0.085% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 217.0:
      O   HB    ILE   89 - HN    ILE   89   2.62 +/- 0.62  95.067% * 99.6919% (0.45  10.0   5.57 217.01) =  99.995%  kept
          QD    LYS+  81 - HN    ILE   89   9.59 +/- 1.36   3.205% *  0.0997% (0.45   1.0   0.02   0.02) =   0.003%
          HB    VAL   43 - HN    ILE   89  13.21 +/- 3.12   1.490% *  0.1170% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    ILE   89  23.14 +/- 3.73   0.238% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.76, residual support = 216.5:
          HG12  ILE   89 - HN    ILE   89   2.99 +/- 0.58  83.279% * 96.8452% (0.76   5.78 217.01) =  99.772%  kept
          QB    ALA   91 - HN    ILE   89   7.04 +/- 1.19  14.374% *  1.2345% (0.31   0.18   7.75) =   0.220%  kept
          HG3   LYS+ 111 - HN    ILE   89  17.80 +/- 3.25   0.744% *  0.3013% (0.69   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HN    ILE   89  17.41 +/- 2.19   0.584% *  0.3805% (0.87   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    ILE   89  24.67 +/- 3.42   0.218% *  0.3934% (0.90   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    ILE   89  25.10 +/- 3.95   0.199% *  0.3664% (0.84   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   89  25.87 +/- 4.74   0.196% *  0.2838% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  21.90 +/- 2.94   0.289% *  0.1354% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  29.63 +/- 3.54   0.117% *  0.0594% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.58, residual support = 216.7:
          QG2   ILE   89 - HN    ILE   89   3.08 +/- 0.70  88.694% * 98.9157% (1.00   6.59 217.01) =  99.873%  kept
          QG1   VAL   83 - HN    ILE   89   6.96 +/- 1.01  10.731% *  1.0380% (0.53   0.13   0.02) =   0.127%  kept
          QD1   LEU  104 - HN    ILE   89  18.86 +/- 2.72   0.575% *  0.0463% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.52, residual support = 217.0:
          HG13  ILE   89 - HN    ILE   89   3.70 +/- 0.74 100.000% *100.0000% (0.90   5.52 217.01) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.18 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.1:
      O   HA    ALA   88 - HN    ALA   88   2.26 +/- 0.14  96.958% * 99.0917% (0.84  10.0   1.63  12.12) =  99.996%  kept
          HB2   SER   82 - HN    ALA   88   8.97 +/- 0.46   1.663% *  0.1303% (0.90   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ALA   88  16.19 +/- 3.03   0.471% *  0.1425% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ALA   88  17.45 +/- 2.81   0.269% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  25.63 +/- 7.27   0.132% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  26.15 +/- 7.10   0.124% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  26.59 +/- 6.55   0.087% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  28.48 +/- 5.87   0.078% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  23.69 +/- 2.81   0.120% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  25.05 +/- 2.83   0.098% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.725, support = 2.09, residual support = 12.1:
      O   QB    ALA   88 - HN    ALA   88   2.81 +/- 0.20  75.106% * 98.4202% (0.73  10.0   2.09  12.12) =  99.830%  kept
          QB    ALA   84 - HN    ALA   88   4.69 +/- 0.26  16.575% *  0.7278% (0.15   1.0   0.70   0.02) =   0.163%  kept
          QG2   THR   77 - HN    ALA   88   8.61 +/- 1.81   4.326% *  0.0462% (0.34   1.0   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    ALA   88   9.90 +/- 1.02   1.879% *  0.0931% (0.69   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   88  22.70 +/- 7.53   0.313% *  0.1132% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  20.45 +/- 3.01   0.262% *  0.1216% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  16.48 +/- 2.34   0.436% *  0.0608% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  25.85 +/- 4.81   0.136% *  0.1355% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  19.27 +/- 5.60   0.557% *  0.0302% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  22.35 +/- 2.86   0.185% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  30.14 +/- 4.55   0.076% *  0.1329% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  28.28 +/- 4.12   0.147% *  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 = 74.4:
      O   HB2   TRP   87 - HN    TRP   87   3.73 +/- 0.02  96.683% * 99.8429% (0.73  10.0   4.14  74.43) =  99.998%  kept
          HB    THR   46 - HN    TRP   87  14.26 +/- 1.77   2.124% *  0.0469% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   PHE   60 - HN    TRP   87  19.93 +/- 3.58   0.811% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  25.75 +/- 4.29   0.382% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.96, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.93 +/- 0.43  93.788% * 97.4957% (0.80   3.96  22.70) =  99.978%  kept
          HB2   ASP-  78 - HN    TRP   87  12.46 +/- 2.32   3.658% *  0.3234% (0.53   0.02   0.02) =   0.013%
          HB2   ASN   28 - HN    TRP   87  21.48 +/- 8.14   0.530% *  0.6147% (1.00   0.02   0.02) =   0.004%
          QE    LYS+  65 - HN    TRP   87  21.28 +/- 3.98   0.351% *  0.5932% (0.97   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    TRP   87  23.68 +/- 5.15   0.244% *  0.6025% (0.98   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HN    TRP   87  13.12 +/- 1.37   1.229% *  0.0948% (0.15   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    TRP   87  26.69 +/- 6.56   0.200% *  0.2756% (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 = 74.4:
      O   HB3   TRP   87 - HN    TRP   87   2.88 +/- 0.17  99.324% * 99.8532% (1.00  10.0   4.01  74.43) = 100.000%  kept
          HG3   GLN  116 - HN    TRP   87  24.23 +/- 3.26   0.285% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    TRP   87  23.33 +/- 7.97   0.390% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.527, support = 2.2, residual support = 5.09:
          QB    ALA   88 - HN    TRP   87   4.34 +/- 0.22  78.250% * 96.6382% (0.53   2.21   5.11) =  99.624%  kept
          QG2   THR   77 - HN    TRP   87   8.01 +/- 1.55  17.576% *  1.4907% (0.90   0.02   0.02) =   0.345%  kept
          QG2   THR   23 - HN    TRP   87  18.53 +/- 5.73   1.778% *  0.8745% (0.53   0.02   0.02) =   0.020%
          QB    ALA   34 - HN    TRP   87  19.11 +/- 4.57   1.408% *  0.3701% (0.22   0.02   0.02) =   0.007%
          HG2   LYS+  99 - HN    TRP   87  24.19 +/- 4.97   0.647% *  0.2565% (0.15   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    TRP   87  28.43 +/- 4.76   0.341% *  0.3701% (0.22   0.02   0.02) =   0.002%
    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 = 0.839, support = 1.83, residual support = 17.5:
          QD1   ILE   89 - HN    TRP   87   4.69 +/- 0.98  41.530% * 68.9630% (0.76   2.42  17.91) =  62.576%  kept
          QG2   VAL   83 - HN    TRP   87   4.10 +/- 0.47  56.316% * 30.3902% (0.97   0.84  16.94) =  37.394%  kept
          QD2   LEU   31 - HN    TRP   87  16.16 +/- 6.15   2.155% *  0.6468% (0.87   0.02   1.70) =   0.030%
    Distance limit 4.33 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 = 0.517, support = 1.11, residual support = 17.2:
          QG2   VAL   83 - HE1   TRP   87   2.44 +/- 0.66  87.738% * 29.9656% (0.45   1.00  16.94) =  75.379%  kept
          QD1   ILE   89 - HE1   TRP   87   5.97 +/- 0.96  12.262% * 70.0344% (0.73   1.45  17.91) =  24.621%  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   3.00 +/- 0.16  69.056% * 82.6654% (0.76   3.33  13.44) =  96.416%  kept
          HA    ALA   88 - HN    ASP-  86   5.04 +/- 0.27  15.026% * 12.7539% (0.69   0.57   0.02) =   3.237%  kept
          HB2   SER   82 - HN    ASP-  86   5.65 +/- 0.52  11.620% *  1.6820% (0.15   0.34   0.02) =   0.330%  kept
          HD2   PRO   52 - HN    ASP-  86  18.64 +/- 2.91   0.382% *  0.5830% (0.90   0.02   0.02) =   0.004%
          HA    SER   48 - HN    ASP-  86  16.19 +/- 3.01   0.764% *  0.2915% (0.45   0.02   0.02) =   0.004%
          QB    SER   48 - HN    ASP-  86  14.15 +/- 2.82   1.041% *  0.1447% (0.22   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ASP-  86  12.03 +/- 2.20   1.478% *  0.1003% (0.15   0.02   0.02) =   0.003%
          HA    GLN   32 - HN    ASP-  86  24.41 +/- 7.87   0.265% *  0.4721% (0.73   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    ASP-  86  23.22 +/- 3.37   0.195% *  0.5430% (0.84   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    ASP-  86  31.68 +/- 5.82   0.071% *  0.4968% (0.76   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    ASP-  86  28.83 +/- 3.69   0.102% *  0.2673% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.93 +/- 0.17  98.175% * 95.3192% (0.61   2.25  10.79) =  99.982%  kept
          HB2   CYS   53 - HN    ASP-  86  18.90 +/- 2.31   0.433% *  1.3481% (0.97   0.02   0.02) =   0.006%
          HD3   PRO   52 - HN    ASP-  86  19.32 +/- 3.38   0.477% *  0.7350% (0.53   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    ASP-  86  23.50 +/- 6.94   0.350% *  0.8473% (0.61   0.02   0.02) =   0.003%
          HA    GLU- 100 - HN    ASP-  86  24.29 +/- 5.83   0.338% *  0.7909% (0.57   0.02   0.02) =   0.003%
          HD2   PRO   58 - HN    ASP-  86  24.36 +/- 3.23   0.227% *  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 = 5.02, residual support = 42.5:
      O   HB2   ASP-  86 - HN    ASP-  86   2.68 +/- 0.52  95.727% * 99.6258% (0.98  10.0   5.02  42.50) =  99.998%  kept
          HB2   ASP-  78 - HN    ASP-  86  11.81 +/- 2.12   2.835% *  0.0283% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    ASP-  86  20.82 +/- 9.06   0.725% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASP-  86  21.83 +/- 3.87   0.272% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  23.61 +/- 5.61   0.250% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  26.80 +/- 6.88   0.191% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.55, residual support = 42.5:
      O   HB3   ASP-  86 - HN    ASP-  86   2.68 +/- 0.54  98.043% * 99.2823% (0.41  10.0   3.55  42.50) =  99.996%  kept
          HG3   MET   96 - HN    ASP-  86  15.16 +/- 4.39   1.302% *  0.2394% (0.99   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    ASP-  86  23.78 +/- 2.75   0.216% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  29.94 +/- 5.76   0.116% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  24.33 +/- 8.39   0.322% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.763, support = 3.15, residual support = 18.0:
      O   QB    SER   85 - HN    SER   85   2.26 +/- 0.17  82.071% * 97.8593% (0.76  10.0   3.15  18.03) =  99.874%  kept
          HB2   SER   82 - HN    SER   85   5.49 +/- 0.28   6.207% *  1.4818% (0.15   1.0   1.50   2.90) =   0.114%  kept
          HA    ALA   88 - HN    SER   85   4.83 +/- 0.43   9.019% *  0.0880% (0.69   1.0   0.02   0.02) =   0.010%
          HA    SER   48 - HN    SER   85  14.80 +/- 3.17   0.569% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  17.59 +/- 3.01   0.260% *  0.1148% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  12.83 +/- 3.02   0.944% *  0.0285% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  12.29 +/- 1.95   0.648% *  0.0198% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  22.95 +/- 3.45   0.108% *  0.1070% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  25.26 +/- 7.07   0.096% *  0.0930% (0.73   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  31.66 +/- 5.50   0.035% *  0.0979% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  29.27 +/- 3.25   0.044% *  0.0526% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.61 +/- 0.02  93.823% * 99.3529% (0.49  10.0   3.27  20.71) =  99.993%  kept
          HB2   TRP   49 - HN    SER   85  17.56 +/- 3.45   1.906% *  0.1402% (0.69   1.0   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    SER   85  13.23 +/- 2.05   2.322% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    SER   85  19.74 +/- 4.10   0.964% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  25.53 +/- 2.88   0.302% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  25.50 +/- 2.91   0.301% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  23.97 +/- 3.07   0.382% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.997, support = 3.98, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.67 +/- 0.12  90.117% * 96.0232% (1.00   3.98  20.71) =  99.969%  kept
          HB3   LEU   80 - HN    SER   85   6.94 +/- 0.79   5.776% *  0.2542% (0.53   0.02   0.02) =   0.017%
          HG    LEU   98 - HN    SER   85  19.74 +/- 5.19   0.588% *  0.4664% (0.97   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    SER   85  15.65 +/- 1.19   0.469% *  0.4832% (1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    SER   85  16.22 +/- 1.75   0.449% *  0.3693% (0.76   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    SER   85  18.63 +/- 3.63   0.362% *  0.2931% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    SER   85  21.76 +/- 7.50   0.394% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    SER   85  17.69 +/- 2.82   0.385% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    SER   85  22.83 +/- 5.89   0.284% *  0.1987% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  22.32 +/- 2.36   0.174% *  0.3126% (0.65   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    SER   85  28.90 +/- 3.66   0.099% *  0.4334% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  23.05 +/- 2.63   0.163% *  0.2352% (0.49   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  20.43 +/- 2.49   0.232% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  22.67 +/- 3.04   0.180% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  23.25 +/- 3.85   0.179% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  25.76 +/- 5.57   0.151% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.86, residual support = 17.8:
      O   HA    ALA   84 - HN    ALA   84   2.76 +/- 0.04  95.582% * 99.3529% (0.49  10.0   3.86  17.84) =  99.995%  kept
          HA    VAL   75 - HN    ALA   84  10.66 +/- 2.09   2.233% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    ALA   84  16.44 +/- 3.09   1.007% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA   84  19.01 +/- 4.03   0.593% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  23.67 +/- 2.87   0.175% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  23.91 +/- 2.80   0.170% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  22.08 +/- 3.21   0.240% *  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 = 40.8:
          HB    VAL   83 - HN    ALA   84   3.26 +/- 0.29  88.091% * 97.8479% (0.99   5.33  40.79) =  99.982%  kept
          HB3   MET   92 - HN    ALA   84  11.58 +/- 2.57   5.409% *  0.0649% (0.18   0.02   0.02) =   0.004%
          QD    LYS+  65 - HN    ALA   84  19.28 +/- 3.57   0.719% *  0.3577% (0.97   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HN    ALA   84  19.69 +/- 5.03   0.860% *  0.2692% (0.73   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    ALA   84  14.50 +/- 1.29   1.161% *  0.1950% (0.53   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HN    ALA   84  14.28 +/- 2.51   1.355% *  0.1524% (0.41   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    ALA   84  25.81 +/- 3.45   0.225% *  0.3674% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   84  24.99 +/- 3.35   0.231% *  0.3506% (0.95   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    ALA   84  17.71 +/- 3.76   1.011% *  0.0649% (0.18   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  22.10 +/- 3.39   0.376% *  0.0924% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  28.69 +/- 3.54   0.164% *  0.1804% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.44 +/- 3.50   0.399% *  0.0572% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.16, residual support = 17.8:
      O   QB    ALA   84 - HN    ALA   84   2.01 +/- 0.05  87.546% * 98.7026% (0.87  10.0   4.17  17.84) =  99.955%  kept
          HB3   LEU   80 - HN    ALA   84   4.64 +/- 0.86   9.969% *  0.3751% (0.28   1.0   0.24   0.02) =   0.043%
          HG    LEU   98 - HN    ALA   84  18.08 +/- 4.95   0.479% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.11 +/- 1.46   0.286% *  0.1020% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  15.35 +/- 2.86   0.262% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  17.46 +/- 3.45   0.182% *  0.0987% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.96 +/- 1.77   0.311% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  21.74 +/- 5.33   0.141% *  0.0782% (0.69   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  18.26 +/- 2.45   0.145% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  21.67 +/- 2.72   0.084% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  20.82 +/- 3.80   0.111% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  23.72 +/- 5.34   0.080% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  20.06 +/- 2.35   0.103% *  0.0427% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  19.98 +/- 7.04   0.204% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.41 +/- 3.45   0.049% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  26.87 +/- 4.29   0.048% *  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 = 0.694, support = 5.66, residual support = 39.7:
          QG1   VAL   83 - HN    ALA   84   3.94 +/- 0.67  62.420% * 93.3001% (0.69   5.82  40.79) =  97.230%  kept
          QD2   LEU   80 - HN    ALA   84   5.71 +/- 1.11  31.277% *  5.2367% (0.95   0.24   0.02) =   2.735%  kept
          QD1   LEU   73 - HN    ALA   84  12.74 +/- 2.72   2.964% *  0.2832% (0.61   0.02   0.02) =   0.014%
          QD1   LEU  104 - HN    ALA   84  18.82 +/- 3.48   1.088% *  0.4658% (1.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    ALA   84  17.40 +/- 2.13   1.064% *  0.4310% (0.92   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    ALA   84  16.63 +/- 2.86   1.187% *  0.2832% (0.61   0.02   0.02) =   0.006%
    Distance limit 4.05 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 = 0.754, support = 6.12, residual support = 39.8:
          QG2   VAL   83 - HN    ALA   84   2.95 +/- 0.70  72.377% * 88.5227% (0.76   6.30  40.79) =  96.398%  kept
          QD1   ILE   89 - HN    ALA   84   6.55 +/- 1.52  21.622% * 11.0286% (0.49   1.23  12.53) =   3.588%  kept
          QD2   LEU   31 - HN    ALA   84  14.95 +/- 5.76   1.466% *  0.3668% (1.00   0.02   0.02) =   0.008%
          QG2   VAL   43 - HN    ALA   84   9.84 +/- 2.51   4.535% *  0.0819% (0.22   0.02   0.02) =   0.006%
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.09, residual support = 18.9:
          HB2   SER   82 - HN    VAL   83   3.30 +/- 0.49  87.824% * 97.0042% (0.75   4.09  18.87) =  99.955%  kept
          HA    ALA   88 - HN    VAL   83   8.67 +/- 0.32   5.643% *  0.2686% (0.43   0.02   0.02) =   0.018%
          HA    SER   48 - HN    VAL   83  14.51 +/- 2.79   2.743% *  0.3798% (0.60   0.02   0.02) =   0.012%
          HA    GLU-  29 - HN    VAL   83  20.88 +/- 8.43   0.845% *  0.4650% (0.74   0.02   0.02) =   0.005%
          HA    VAL   18 - HN    VAL   83  22.73 +/- 7.55   0.496% *  0.4702% (0.75   0.02   0.02) =   0.003%
          HA    LYS+  33 - HN    VAL   83  24.23 +/- 6.55   0.368% *  0.4254% (0.68   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    VAL   83  22.27 +/- 7.54   0.578% *  0.2496% (0.40   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    VAL   83  18.18 +/- 2.99   0.834% *  0.1618% (0.26   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    VAL   83  21.92 +/- 2.47   0.372% *  0.2877% (0.46   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   83  24.41 +/- 2.92   0.298% *  0.2877% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.7, residual support = 85.3:
      O   HA    VAL   83 - HN    VAL   83   2.80 +/- 0.03  97.980% * 99.4506% (0.46  10.0   4.70  85.32) =  99.998%  kept
          HB2   CYS   53 - HN    VAL   83  17.96 +/- 2.51   0.457% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    VAL   83  20.65 +/- 7.18   0.519% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    VAL   83  22.84 +/- 5.48   0.429% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.05 +/- 3.29   0.406% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.46 +/- 3.59   0.210% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.77, residual support = 85.3:
      O   HB    VAL   83 - HN    VAL   83   2.18 +/- 0.45  96.592% * 99.4176% (0.75  10.0   4.77  85.32) =  99.998%  kept
          QD    LYS+ 102 - HN    VAL   83  19.05 +/- 5.49   0.498% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  14.39 +/- 2.40   0.616% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  19.55 +/- 3.43   0.232% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.36 +/- 1.74   0.334% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  13.61 +/- 2.97   0.851% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  24.92 +/- 3.95   0.128% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.53 +/- 4.07   0.075% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  18.77 +/- 3.86   0.332% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  23.72 +/- 3.55   0.135% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  29.34 +/- 3.82   0.053% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.06 +/- 3.73   0.153% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.322, support = 0.02, residual support = 0.103:
          HB2   LEU   80 - HN    VAL   83   3.84 +/- 0.71  83.134% *  2.8578% (0.19   0.02   0.15) =  65.102%  kept
          QB    LEU   98 - HN    VAL   83  15.55 +/- 3.87   3.465% *  7.8727% (0.52   0.02   0.02) =   7.475%  kept
          HB3   LEU   73 - HN    VAL   83  14.98 +/- 3.42   2.184% *  9.9416% (0.65   0.02   0.02) =   5.949%  kept
          HG3   LYS+ 106 - HN    VAL   83  17.73 +/- 4.03   1.907% *  7.4142% (0.49   0.02   0.02) =   3.873%  kept
          HB    VAL   42 - HN    VAL   83  18.23 +/- 2.84   1.165% * 10.5799% (0.70   0.02   0.02) =   3.377%  kept
          HG3   LYS+ 102 - HN    VAL   83  20.99 +/- 5.80   1.221% *  9.5730% (0.63   0.02   0.02) =   3.203%  kept
          HG3   LYS+  33 - HN    VAL   83  22.53 +/- 6.27   0.872% * 11.0607% (0.73   0.02   0.02) =   2.644%  kept
          HB3   LYS+  74 - HN    VAL   83  14.99 +/- 1.89   1.768% *  4.7118% (0.31   0.02   0.02) =   2.283%  kept
          HG3   LYS+  65 - HN    VAL   83  21.15 +/- 3.68   0.658% * 10.5799% (0.70   0.02   0.02) =   1.908%  kept
          HB2   LYS+ 112 - HN    VAL   83  23.22 +/- 2.89   0.625% *  8.7588% (0.58   0.02   0.02) =   1.501%  kept
          QB    ALA   12 - HN    VAL   83  26.08 +/- 4.84   0.377% * 10.5799% (0.70   0.02   0.02) =   1.094%  kept
          HB3   PRO   93 - HN    VAL   83  15.74 +/- 1.91   2.164% *  1.7684% (0.12   0.02   0.02) =   1.049%  kept
          HD3   LYS+ 121 - HN    VAL   83  26.64 +/- 4.30   0.459% *  4.3014% (0.28   0.02   0.02) =   0.541%  kept
    Distance limit 3.89 A violated in 0 structures by 0.26 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.722, support = 5.12, residual support = 80.2:
          QG1   VAL   83 - HN    VAL   83   2.85 +/- 0.37  65.258% * 86.1598% (0.75   5.33  85.32) =  93.991%  kept
          QD2   LEU   80 - HN    VAL   83   4.29 +/- 0.88  29.657% * 11.8780% (0.31   1.77   0.15) =   5.889%  kept
          QG2   ILE   89 - HN    VAL   83   7.32 +/- 0.54   4.321% *  1.6289% (0.46   0.16   0.02) =   0.118%  kept
          QD1   LEU  104 - HN    VAL   83  18.52 +/- 3.93   0.452% *  0.2109% (0.49   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   83  18.33 +/- 2.45   0.312% *  0.1224% (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 = 5.21, residual support = 84.7:
          QG2   VAL   83 - HN    VAL   83   3.26 +/- 0.40  85.654% * 94.0809% (0.74   5.24  85.32) =  99.275%  kept
          QD1   ILE   89 - HN    VAL   83   8.12 +/- 1.50  10.173% *  5.6970% (0.73   0.32   0.02) =   0.714%  kept
          QD2   LEU   31 - HN    VAL   83  14.05 +/- 6.60   4.173% *  0.2221% (0.46   0.02   0.02) =   0.011%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.29, residual support = 34.7:
      O   HB2   SER   82 - HN    SER   82   2.90 +/- 0.55  92.382% * 99.3063% (0.87  10.0   4.29  34.66) =  99.996%  kept
          HA    ALA   88 - HN    SER   82   9.67 +/- 0.31   3.141% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   82  14.50 +/- 3.10   1.492% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  21.69 +/- 8.49   0.732% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    SER   82  23.60 +/- 7.44   0.380% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  25.35 +/- 6.47   0.303% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  23.34 +/- 2.03   0.247% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  26.18 +/- 2.76   0.162% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  23.50 +/- 7.37   0.449% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.79 +/- 3.18   0.495% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  26.09 +/- 3.96   0.218% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.68, residual support = 34.7:
      O   HB3   SER   82 - HN    SER   82   2.55 +/- 0.43  97.580% * 99.2682% (0.69  10.0   3.68  34.66) =  99.997%  kept
          HA    ILE   89 - HN    SER   82  11.51 +/- 0.72   1.302% *  0.1445% (1.00   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    SER   82  24.69 +/- 3.15   0.125% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  27.21 +/- 4.53   0.122% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  24.43 +/- 2.83   0.137% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  26.86 +/- 4.09   0.101% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.59 +/- 3.44   0.342% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  21.64 +/- 7.10   0.291% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.15, residual support = 19.9:
          QB    LYS+  81 - HN    SER   82   3.24 +/- 0.31  92.139% * 96.7620% (0.97   5.15  19.92) =  99.975%  kept
          HB3   GLN   90 - HN    SER   82  11.92 +/- 1.66   2.239% *  0.3596% (0.92   0.02   0.02) =   0.009%
          QB    LYS+ 106 - HN    SER   82  17.78 +/- 3.14   0.733% *  0.3818% (0.98   0.02   0.02) =   0.003%
          HB2   MET   92 - HN    SER   82  14.63 +/- 2.61   1.426% *  0.1462% (0.38   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    SER   82  19.46 +/- 6.98   0.813% *  0.2049% (0.53   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    SER   82  21.74 +/- 5.96   0.487% *  0.3379% (0.87   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    SER   82  20.23 +/- 4.66   0.524% *  0.2676% (0.69   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    SER   82  22.31 +/- 3.10   0.409% *  0.2829% (0.73   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    SER   82  22.50 +/- 3.15   0.342% *  0.3379% (0.87   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    SER   82  23.34 +/- 3.85   0.300% *  0.2977% (0.76   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    SER   82  26.53 +/- 3.25   0.223% *  0.2520% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    SER   82  28.12 +/- 3.56   0.158% *  0.2829% (0.73   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  26.63 +/- 3.15   0.207% *  0.0867% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.15, residual support = 19.9:
          QG    LYS+  81 - HN    SER   82   3.85 +/- 1.09  97.635% * 98.7759% (0.25   5.15  19.92) =  99.986%  kept
          HG2   LYS+ 106 - HN    SER   82  20.49 +/- 3.97   1.578% *  0.4750% (0.31   0.02   0.02) =   0.008%
          HG3   ARG+  54 - HN    SER   82  22.44 +/- 3.17   0.787% *  0.7491% (0.49   0.02   0.02) =   0.006%
    Distance limit 5.06 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 = 0.883, support = 3.76, residual support = 14.4:
          QG1   VAL   83 - HN    SER   82   4.90 +/- 0.39  39.088% * 78.5721% (0.95   4.46  18.87) =  75.704%  kept
          QD2   LEU   80 - HN    SER   82   4.53 +/- 0.46  48.001% * 20.4950% (0.69   1.60   0.50) =  24.250%  kept
          QG2   ILE   89 - HN    SER   82   8.70 +/- 0.62   7.357% *  0.1272% (0.34   0.02   0.02) =   0.023%
          QD1   LEU   73 - HN    SER   82  13.25 +/- 3.00   2.940% *  0.1151% (0.31   0.02   0.02) =   0.008%
          QD1   LEU  104 - HN    SER   82  20.25 +/- 3.98   0.960% *  0.3344% (0.90   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    SER   82  19.82 +/- 2.32   0.692% *  0.2412% (0.65   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    SER   82  18.26 +/- 2.69   0.962% *  0.1151% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 110.6:
      O   QB    LYS+  81 - HN    LYS+  81   2.16 +/- 0.18  97.316% * 99.1460% (0.97  10.0   5.76 110.62) =  99.998%  kept
          HB3   GLN   90 - HN    LYS+  81  11.55 +/- 1.86   0.805% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  81  18.16 +/- 2.83   0.235% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  14.18 +/- 2.40   0.475% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  19.04 +/- 6.14   0.283% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  21.58 +/- 5.19   0.160% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.55 +/- 3.23   0.165% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.38 +/- 3.20   0.128% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  21.00 +/- 3.95   0.139% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  23.44 +/- 3.41   0.091% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  25.37 +/- 3.28   0.079% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  28.12 +/- 2.84   0.050% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.24 +/- 3.45   0.076% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.73, residual support = 110.6:
          QG    LYS+  81 - HN    LYS+  81   2.89 +/- 0.46  97.178% * 98.9403% (0.97   5.74 110.62) =  99.995%  kept
          HG2   LYS+ 106 - HN    LYS+  81  21.04 +/- 3.52   0.554% *  0.3300% (0.92   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    LYS+  81  13.71 +/- 1.70   1.193% *  0.1220% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HN    LYS+  81  22.98 +/- 5.60   0.312% *  0.3382% (0.95   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  24.04 +/- 2.81   0.281% *  0.1103% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  24.08 +/- 4.07   0.323% *  0.0796% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  27.30 +/- 3.10   0.160% *  0.0796% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.421, support = 5.82, residual support = 39.7:
          QD2   LEU   80 - HN    LYS+  81   4.39 +/- 0.49  36.804% * 77.7874% (0.53   6.01  39.67) =  71.752%  kept
          QD1   LEU   80 - HN    LYS+  81   3.71 +/- 0.94  55.484% * 20.2752% (0.15   5.34  39.67) =  28.195%  kept
          QD1   LEU   73 - HN    LYS+  81  12.67 +/- 2.46   2.142% *  0.4414% (0.90   0.02   0.02) =   0.024%
          QD1   LEU   63 - HN    LYS+  81  17.34 +/- 2.29   0.754% *  0.4414% (0.90   0.02   0.02) =   0.008%
          QD2   LEU   63 - HN    LYS+  81  17.97 +/- 1.31   0.627% *  0.4111% (0.84   0.02   0.02) =   0.006%
          QG2   VAL   41 - HN    LYS+  81  15.93 +/- 2.47   1.258% *  0.1369% (0.28   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    LYS+  81  19.14 +/- 2.31   0.557% *  0.2787% (0.57   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    LYS+  81  15.93 +/- 3.73   1.629% *  0.0759% (0.15   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LYS+  81  20.43 +/- 3.86   0.744% *  0.1519% (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 = 0.577, support = 3.87, residual support = 16.4:
          HB2   ASP-  78 - HN    GLU-  79   3.10 +/- 0.64  47.000% * 77.5447% (0.60   4.57  20.53) =  76.995%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.95 +/- 0.53  50.085% * 21.7367% (0.51   1.50   2.48) =  22.999%  kept
          QE    LYS+  65 - HN    GLU-  79  15.07 +/- 4.21   1.282% *  0.0962% (0.17   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    GLU-  79  18.11 +/- 5.80   0.352% *  0.1422% (0.25   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    GLU-  79  11.70 +/- 0.96   0.919% *  0.0468% (0.08   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    GLU-  79  22.30 +/- 2.63   0.153% *  0.2512% (0.44   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    GLU-  79  20.05 +/- 3.49   0.209% *  0.1820% (0.32   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.094, support = 4.27, residual support = 56.6:
      O   HB2   GLU-  79 - HN    GLU-  79   2.75 +/- 0.29  97.309% * 98.3341% (0.09  10.0   4.27  56.61) =  99.992%  kept
          HG2   PRO   52 - HN    GLU-  79  14.84 +/- 3.62   1.086% *  0.2857% (0.27   1.0   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HN    GLU-  79  18.99 +/- 6.86   0.542% *  0.4123% (0.39   1.0   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    GLU-  79  21.00 +/- 3.00   0.294% *  0.5103% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    GLU-  79  19.37 +/- 2.07   0.350% *  0.2174% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLU-  79  23.09 +/- 2.41   0.210% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  24.79 +/- 3.27   0.208% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.14, residual support = 56.6:
      O   HB3   GLU-  79 - HN    GLU-  79   2.66 +/- 0.56  97.216% * 99.6469% (0.59  10.0   4.14  56.61) =  99.998%  kept
          HB2   GLN   90 - HN    GLU-  79  12.21 +/- 1.97   1.696% *  0.0789% (0.47   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  79  21.02 +/- 5.13   0.340% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  20.45 +/- 5.69   0.399% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  23.06 +/- 2.24   0.215% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  26.34 +/- 2.08   0.134% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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   2.79 +/- 0.55  88.144% * 98.7130% (0.49  10.0   3.95  39.69) =  99.911%  kept
          QE    LYS+  74 - HN    ASP-  78   7.69 +/- 1.52   7.691% *  0.9149% (0.98   1.0   0.09   0.02) =   0.081%
          QB    CYS   50 - HN    ASP-  78   9.85 +/- 1.78   3.171% *  0.1957% (0.97   1.0   0.02   0.02) =   0.007%
          HB3   ASN   69 - HN    ASP-  78  22.10 +/- 2.64   0.294% *  0.1312% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  14.98 +/- 0.73   0.699% *  0.0452% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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   2.69 +/- 0.47  68.167% * 81.7811% (0.98  10.0   5.34  39.69) =  91.553%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.98 +/- 0.65  28.498% * 18.0456% (0.84   1.0   5.18   4.11) =   8.446%  kept
          QE    LYS+  65 - HN    ASP-  78  14.56 +/- 4.41   1.519% *  0.0232% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ASP-  78  11.97 +/- 1.38   1.179% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  22.40 +/- 2.54   0.172% *  0.0606% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  19.27 +/- 4.88   0.295% *  0.0343% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.91 +/- 2.70   0.169% *  0.0439% (0.53   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 = 27.7:
      O   HA    THR   77 - HN    ASP-  78   3.52 +/- 0.06  94.180% * 99.9219% (0.92  10.0   4.65  27.66) =  99.998%  kept
          HD2   PRO   93 - HN    ASP-  78  11.98 +/- 1.69   2.985% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    ASP-  78  14.92 +/- 5.16   2.193% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HA    LEU   31 - HN    ASP-  78  19.48 +/- 2.73   0.642% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.62, residual support = 4.11:
          HA    ASP-  76 - HN    ASP-  78   3.59 +/- 0.28  98.867% * 99.6695% (0.95   2.62   4.11) =  99.996%  kept
          HA    LEU   67 - HN    ASP-  78  18.02 +/- 3.05   1.133% *  0.3305% (0.41   0.02   0.02) =   0.004%
    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 +/- 0.05  96.433% * 99.8846% (0.98  10.0   4.03  37.50) =  99.998%  kept
          HD2   PRO   93 - HN    THR   77  10.54 +/- 1.67   2.396% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    THR   77  14.17 +/- 4.45   1.172% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.933, support = 3.49, residual support = 15.4:
          HB2   ASP-  76 - HN    THR   77   4.27 +/- 0.37  59.663% * 60.1857% (1.00   3.64  10.65) =  72.128%  kept
          HB2   ASP-  78 - HN    THR   77   5.21 +/- 0.51  35.307% * 39.2878% (0.76   3.10  27.66) =  27.862%  kept
          HB2   ASN   69 - HN    THR   77  20.54 +/- 2.23   0.628% *  0.3201% (0.97   0.02   0.02) =   0.004%
          QE    LYS+  66 - HN    THR   77  16.81 +/- 3.60   2.656% *  0.0656% (0.20   0.02   0.02) =   0.004%
          HB2   ASN   28 - HN    THR   77  18.57 +/- 4.23   1.042% *  0.0581% (0.18   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    THR   77  19.82 +/- 2.38   0.704% *  0.0827% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.565, support = 3.63, residual support = 10.6:
          HB3   ASP-  76 - HN    THR   77   4.16 +/- 0.41  67.016% * 95.2539% (0.57   3.64  10.65) =  99.781%  kept
          HG3   MET   92 - HN    THR   77  10.44 +/- 2.07   6.847% *  0.9252% (1.00   0.02   0.02) =   0.099%
          QG    GLN   90 - HN    THR   77   9.47 +/- 1.80   8.097% *  0.3156% (0.34   0.02   0.02) =   0.040%
          HB2   ASP-  44 - HN    THR   77   8.15 +/- 0.90  11.264% *  0.1831% (0.20   0.02   0.02) =   0.032%
          HB2   ASP- 105 - HN    THR   77  17.92 +/- 1.67   0.924% *  0.7409% (0.80   0.02   0.02) =   0.011%
          HG12  ILE  119 - HN    THR   77  17.32 +/- 2.09   1.049% *  0.6356% (0.69   0.02   0.02) =   0.010%
          HB2   GLU-  29 - HN    THR   77  20.24 +/- 3.86   0.700% *  0.9069% (0.98   0.02   0.02) =   0.010%
          HB3   PHE   72 - HN    THR   77  13.67 +/- 1.00   2.245% *  0.2573% (0.28   0.02   0.02) =   0.009%
          HG2   GLU- 100 - HN    THR   77  23.73 +/- 2.70   0.574% *  0.4504% (0.49   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    THR   77  20.75 +/- 4.19   0.715% *  0.2060% (0.22   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    THR   77  21.94 +/- 3.36   0.570% *  0.1252% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 4.02, residual support = 37.5:
          QG2   THR   77 - HN    THR   77   2.24 +/- 0.51  85.048% * 96.0944% (0.61   4.03  37.50) =  99.949%  kept
          HB3   ASP-  44 - HN    THR   77   7.85 +/- 1.59   8.559% *  0.1752% (0.22   0.02   0.02) =   0.018%
          HB3   LEU   80 - HN    THR   77   7.78 +/- 1.58   3.930% *  0.3235% (0.41   0.02   0.59) =   0.016%
          QB    ALA   88 - HN    THR   77  11.71 +/- 2.10   1.143% *  0.7444% (0.95   0.02   0.02) =   0.010%
          HB2   LEU   63 - HN    THR   77  13.82 +/- 2.25   0.553% *  0.2429% (0.31   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    THR   77  18.36 +/- 3.25   0.291% *  0.4455% (0.57   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    THR   77  21.95 +/- 2.02   0.171% *  0.7057% (0.90   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    THR   77  18.91 +/- 2.19   0.206% *  0.5090% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   77  25.11 +/- 1.42   0.099% *  0.7594% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.883, support = 2.39, residual support = 2.9:
          QB    ALA   47 - HN    THR   77   6.49 +/- 1.73  56.127% * 70.4831% (0.90   2.58   3.33) =  86.413%  kept
          QG1   VAL   42 - HN    THR   77  10.23 +/- 1.08  21.252% * 29.0154% (0.80   1.19   0.18) =  13.469%  kept
          QB    ALA   64 - HN    THR   77  10.23 +/- 0.99  17.494% *  0.2285% (0.38   0.02   0.02) =   0.087%
          HG2   LYS+ 112 - HN    THR   77  16.53 +/- 2.92   5.127% *  0.2730% (0.45   0.02   0.02) =   0.031%
    Distance limit 4.40 A violated in 10 structures by 1.90 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 82.8:
      O   HA    VAL   75 - HN    VAL   75   2.90 +/- 0.04  90.848% * 99.8428% (0.97  10.0   5.24  82.79) =  99.996%  kept
          HA    ALA   61 - HN    VAL   75   8.70 +/- 2.57   6.902% *  0.0353% (0.34   1.0   0.02   0.02) =   0.003%
          HD3   PRO   58 - HN    VAL   75  14.85 +/- 2.48   0.825% *  0.1014% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   75  12.96 +/- 1.99   1.425% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.853, support = 0.937, residual support = 0.957:
          HB2   ASP-  44 - HN    VAL   75   4.46 +/- 0.83  69.525% * 55.6598% (0.87   0.97   0.92) =  87.322%  kept
          HB3   PHE   72 - HN    VAL   75   7.95 +/- 0.58  15.205% * 35.5449% (0.76   0.71   1.28) =  12.195%  kept
          QG    GLN   90 - HN    VAL   75  14.20 +/- 1.66   3.045% *  4.3578% (0.69   0.10   0.02) =   0.299%  kept
          QG    GLU-  14 - HN    VAL   75  16.17 +/- 4.64   2.326% *  1.1001% (0.84   0.02   0.02) =   0.058%
          QG    GLU-  15 - HN    VAL   75  17.02 +/- 3.98   1.949% *  1.2458% (0.95   0.02   0.02) =   0.055%
          HG12  ILE  119 - HN    VAL   75  14.52 +/- 1.55   2.509% *  0.4492% (0.34   0.02   0.02) =   0.025%
          QB    MET   11 - HN    VAL   75  22.36 +/- 3.59   0.785% *  1.1811% (0.90   0.02   0.02) =   0.021%
          HG2   MET   92 - HN    VAL   75  13.91 +/- 1.52   3.918% *  0.2306% (0.18   0.02   0.02) =   0.020%
          HG3   GLU-  36 - HN    VAL   75  21.56 +/- 1.61   0.739% *  0.2306% (0.18   0.02   0.02) =   0.004%
    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 = 0.359, support = 3.63, residual support = 23.4:
          HB3   LYS+  74 - HN    VAL   75   4.48 +/- 0.19  40.746% * 39.7350% (0.20   4.49  32.06) =  71.509%  kept
          HG    LEU   73 - HN    VAL   75   7.24 +/- 0.79  11.445% * 53.7007% (0.76   1.57   1.74) =  27.145%  kept
          QB    ALA   61 - HN    VAL   75   8.30 +/- 1.87  10.766% *  0.8775% (0.98   0.02   0.02) =   0.417%  kept
          HB3   LEU   67 - HN    VAL   75  10.00 +/- 2.22   6.950% *  0.8932% (1.00   0.02   0.02) =   0.274%  kept
          HG    LEU   80 - HN    VAL   75  10.74 +/- 3.06   5.872% *  0.7765% (0.87   0.02   0.31) =   0.201%  kept
          QG    LYS+  66 - HN    VAL   75  11.78 +/- 2.25   3.440% *  0.8264% (0.92   0.02   0.02) =   0.126%  kept
          HG12  ILE   19 - HN    VAL   75  12.54 +/- 4.95   3.369% *  0.6841% (0.76   0.02   0.02) =   0.102%  kept
          HB2   LEU   80 - HN    VAL   75   9.99 +/- 2.50   5.825% *  0.3054% (0.34   0.02   0.31) =   0.079%
          QB    ALA  110 - HN    VAL   75  14.87 +/- 1.80   1.312% *  0.7477% (0.84   0.02   0.02) =   0.043%
          HG    LEU   67 - HN    VAL   75  10.62 +/- 2.31   5.049% *  0.1772% (0.20   0.02   0.02) =   0.040%
          HB3   LEU  115 - HN    VAL   75  13.43 +/- 1.91   2.135% *  0.2489% (0.28   0.02   0.02) =   0.023%
          HG    LEU   40 - HN    VAL   75  12.85 +/- 1.20   1.937% *  0.2489% (0.28   0.02   0.02) =   0.021%
          HG2   LYS+ 102 - HN    VAL   75  19.36 +/- 1.97   0.574% *  0.5791% (0.65   0.02   0.02) =   0.015%
          HD3   LYS+ 121 - HN    VAL   75  19.29 +/- 1.73   0.581% *  0.1993% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.455, support = 5.8, residual support = 31.4:
          HG2   LYS+  74 - HN    VAL   75   3.75 +/- 0.68  69.583% * 85.2837% (0.45   5.90  32.06) =  98.092%  kept
          QG2   ILE   56 - HN    VAL   75  10.84 +/- 2.26   9.584% * 11.1570% (0.87   0.40   0.02) =   1.767%  kept
          QB    ALA   91 - HN    VAL   75  11.54 +/- 1.07   2.822% *  0.6219% (0.97   0.02   0.02) =   0.029%
          HG13  ILE   19 - HN    VAL   75  12.97 +/- 5.18   3.395% *  0.4427% (0.69   0.02   0.02) =   0.025%
          QG2   THR   39 - HN    VAL   75  12.90 +/- 1.43   2.355% *  0.6219% (0.97   0.02   0.02) =   0.024%
          QB    ALA   34 - HN    VAL   75  11.91 +/- 1.40   2.673% *  0.4427% (0.69   0.02   0.02) =   0.020%
          HG    LEU   71 - HN    VAL   75  12.35 +/- 1.95   4.425% *  0.2649% (0.41   0.02   0.02) =   0.019%
          QG2   THR   23 - HN    VAL   75  12.17 +/- 2.84   3.740% *  0.2198% (0.34   0.02   0.02) =   0.014%
          HG3   LYS+  38 - HN    VAL   75  20.42 +/- 1.42   0.538% *  0.6317% (0.98   0.02   0.02) =   0.006%
          HG3   LYS+  99 - HN    VAL   75  17.81 +/- 1.65   0.885% *  0.3137% (0.49   0.02   0.02) =   0.005%
    Distance limit 4.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 4.54, residual support = 80.4:
      O   HB    VAL   75 - HN    VAL   75   2.50 +/- 0.53  67.592% * 85.6124% (0.95  10.0   4.44  82.79) =  95.327%  kept
          HG3   LYS+  74 - HN    VAL   75   4.48 +/- 1.00  19.958% * 14.1752% (0.49   1.0   6.44  32.06) =   4.660%  kept
          QD1   LEU   67 - HN    VAL   75   7.43 +/- 2.01   9.528% *  0.0657% (0.73   1.0   0.02   0.02) =   0.010%
          QD2   LEU   40 - HN    VAL   75  11.18 +/- 0.95   1.239% *  0.0692% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   75  12.68 +/- 1.37   0.688% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  12.51 +/- 1.61   0.996% *  0.0226% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.528, support = 1.55, residual support = 1.48:
          QD2   LEU   73 - HN    VAL   75   4.95 +/- 1.19  28.800% * 60.9979% (0.41   2.08   1.74) =  70.539%  kept
          QG2   THR   46 - HN    VAL   75   5.45 +/- 0.87  20.954% * 18.6701% (0.69   0.38   1.63) =  15.708%  kept
          QG1   VAL   43 - HN    VAL   75   5.85 +/- 0.98  19.855% * 15.8630% (0.97   0.23   0.02) =  12.646%  kept
          QG2   VAL   18 - HN    VAL   75   9.28 +/- 5.95  15.902% *  1.1446% (0.80   0.02   0.02) =   0.731%  kept
          QG1   VAL   41 - HN    VAL   75  10.10 +/- 1.11   3.082% *  1.4263% (1.00   0.02   0.02) =   0.177%  kept
          HG    LEU   31 - HN    VAL   75  12.25 +/- 2.76   2.105% *  0.8093% (0.57   0.02   0.02) =   0.068%
          QD1   ILE   56 - HN    VAL   75  10.82 +/- 2.53   4.791% *  0.2829% (0.20   0.02   0.02) =   0.054%
          QD1   ILE   19 - HN    VAL   75  11.40 +/- 3.63   2.694% *  0.4876% (0.34   0.02   0.02) =   0.053%
          QD2   LEU  104 - HN    VAL   75  13.99 +/- 2.65   1.817% *  0.3183% (0.22   0.02   0.02) =   0.023%
    Distance limit 4.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.24, residual support = 82.8:
          QG1   VAL   75 - HN    VAL   75   3.37 +/- 0.36  96.036% * 99.6848% (0.92   5.24  82.79) =  99.987%  kept
          QD1   LEU  115 - HN    VAL   75  11.05 +/- 2.38   3.964% *  0.3152% (0.76   0.02   0.02) =   0.013%
    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 = 0.486, support = 4.97, residual support = 82.7:
          QG2   VAL   75 - HN    VAL   75   3.18 +/- 0.45  88.339% * 98.7045% (0.49   4.97  82.79) =  99.893%  kept
          QG2   VAL   42 - HN    VAL   75   7.97 +/- 1.13   7.793% *  1.0921% (0.34   0.08   0.02) =   0.098%
          QD1   ILE   89 - HN    VAL   75  11.05 +/- 2.26   3.868% *  0.2034% (0.25   0.02   0.02) =   0.009%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.693, support = 4.36, residual support = 182.9:
      O   HB3   LYS+  74 - HN    LYS+  74   2.53 +/- 0.29  54.354% * 90.3314% (0.71  10.0   4.34 186.65) =  97.478%  kept
          HB3   LEU   73 - HN    LYS+  74   3.42 +/- 0.90  30.190% *  3.8346% (0.11   1.0   5.49  41.66) =   2.298%  kept
          HG12  ILE   19 - HN    LYS+  74   9.90 +/- 5.70   2.035% *  5.3267% (0.43   1.0   1.94   7.99) =   0.215%  kept
          HB    VAL   42 - HN    LYS+  74   8.80 +/- 1.86   4.793% *  0.0179% (0.14   1.0   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    LYS+  74  11.70 +/- 2.86   0.863% *  0.0874% (0.68   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+  74  11.69 +/- 1.49   0.817% *  0.0785% (0.61   1.0   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    LYS+  74   8.98 +/- 1.80   2.293% *  0.0279% (0.22   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LYS+  74  12.04 +/- 3.49   0.996% *  0.0441% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  74  10.12 +/- 1.81   1.415% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  20.14 +/- 2.76   0.198% *  0.0905% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  10.89 +/- 2.43   0.985% *  0.0179% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.70 +/- 3.98   0.300% *  0.0549% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  17.18 +/- 2.89   0.337% *  0.0476% (0.37   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  13.71 +/- 2.45   0.425% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.198, support = 5.97, residual support = 41.5:
          QD2   LEU   73 - HN    LYS+  74   3.78 +/- 0.46  84.255% * 95.3259% (0.20   5.99  41.66) =  99.660%  kept
          QD1   ILE   56 - HN    LYS+  74  12.80 +/- 3.35   9.286% *  2.6898% (0.37   0.09   0.02) =   0.310%  kept
          HG    LEU   31 - HN    LYS+  74  10.95 +/- 2.12   4.727% *  0.2006% (0.12   0.02   0.02) =   0.012%
          HG3   LYS+ 121 - HN    LYS+  74  20.07 +/- 2.29   0.745% *  1.1353% (0.70   0.02   0.02) =   0.010%
          QD2   LEU  123 - HN    LYS+  74  18.03 +/- 2.36   0.987% *  0.6485% (0.40   0.02   0.02) =   0.008%
    Distance limit 3.88 A violated in 0 structures by 0.13 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.72, residual support = 41.6:
          HB2   LEU   73 - HN    LYS+  74   3.46 +/- 0.75  79.596% * 97.9655% (0.64   5.72  41.66) =  99.941%  kept
          QG1   ILE   56 - HN    LYS+  74  13.27 +/- 3.32  10.844% *  0.2161% (0.40   0.02   0.02) =   0.030%
          QD    LYS+  99 - HN    LYS+  74  15.51 +/- 2.25   1.703% *  0.3809% (0.71   0.02   0.02) =   0.008%
          QD    LYS+ 106 - HN    LYS+  74  15.46 +/- 1.16   1.273% *  0.3784% (0.70   0.02   0.02) =   0.006%
          HB3   MET   92 - HN    LYS+  74  16.47 +/- 1.76   1.297% *  0.2918% (0.54   0.02   0.02) =   0.005%
          HB3   LYS+  99 - HN    LYS+  74  16.81 +/- 2.30   1.396% *  0.1712% (0.32   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    LYS+  74  15.77 +/- 2.36   1.751% *  0.1302% (0.24   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    LYS+  74  22.82 +/- 3.76   0.579% *  0.2470% (0.46   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    LYS+  74  21.35 +/- 2.60   0.654% *  0.1433% (0.27   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+  74  17.48 +/- 1.84   0.906% *  0.0756% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.55, support = 0.02, residual support = 0.132:
          HB    VAL   41 - HN    LYS+  74   9.57 +/- 1.75  22.182% * 15.4986% (0.71   0.02   0.02) =  33.442%  kept
          QB    LYS+  66 - HN    LYS+  74  11.92 +/- 1.15  10.836% * 14.9905% (0.68   0.02   0.02) =  15.801%  kept
          QB    LYS+  65 - HN    LYS+  74   9.78 +/- 1.76  22.735% *  6.3858% (0.29   0.02   0.02) =  14.123%  kept
          HB2   LEU   71 - HN    LYS+  74   9.29 +/- 1.71  24.157% *  5.8297% (0.27   0.02   0.84) =  13.699%  kept
          HG12  ILE  103 - HN    LYS+  74  14.49 +/- 1.72   5.787% * 14.6936% (0.67   0.02   0.02) =   8.272%  kept
          HG2   PRO   93 - HN    LYS+  74  16.00 +/- 2.41   4.817% * 11.8708% (0.54   0.02   0.02) =   5.563%  kept
          QB    LYS+ 102 - HN    LYS+  74  16.51 +/- 1.79   4.324% *  8.1723% (0.37   0.02   0.02) =   3.437%  kept
          HB3   PRO   52 - HN    LYS+  74  19.13 +/- 2.80   3.024% * 11.2793% (0.51   0.02   0.02) =   3.318%  kept
          HG    LEU  123 - HN    LYS+  74  20.64 +/- 2.28   2.137% * 11.2793% (0.51   0.02   0.02) =   2.345%  kept
    Distance limit 4.62 A violated in 15 structures by 2.60 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.774, support = 5.09, residual support = 40.6:
          HB3   PHE   72 - HN    LEU   73   3.54 +/- 0.72  69.139% * 71.1113% (0.76   5.42  44.28) =  90.533%  kept
          HB2   ASP-  44 - HN    LEU   73   6.98 +/- 1.98  18.598% * 27.4972% (0.87   1.85   5.09) =   9.416%  kept
          QG    GLU-  14 - HN    LEU   73  13.51 +/- 4.97   3.456% *  0.2865% (0.84   0.02   0.02) =   0.018%
          QG    GLU-  15 - HN    LEU   73  13.61 +/- 4.51   2.973% *  0.3245% (0.95   0.02   0.02) =   0.018%
          HG12  ILE  119 - HN    LEU   73  14.01 +/- 3.47   2.816% *  0.1170% (0.34   0.02   0.02) =   0.006%
          QB    MET   11 - HN    LEU   73  19.78 +/- 3.18   0.674% *  0.3077% (0.90   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    LEU   73  18.37 +/- 1.40   0.621% *  0.2356% (0.69   0.02   0.02) =   0.003%
          HG3   GLU-  36 - HN    LEU   73  16.52 +/- 2.65   0.984% *  0.0601% (0.18   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    LEU   73  17.76 +/- 2.35   0.738% *  0.0601% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.57 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 = 6.24, residual support = 172.1:
      O   HB2   LEU   73 - HN    LEU   73   3.39 +/- 0.34  80.214% * 99.3783% (0.99  10.0   6.24 172.16) =  99.988%  kept
          QG1   ILE   56 - HN    LEU   73  12.68 +/- 3.94   9.172% *  0.0250% (0.25   1.0   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    LEU   73  12.87 +/- 2.11   2.171% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    LEU   73  13.73 +/- 1.29   1.470% *  0.0899% (0.90   1.0   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    LEU   73  16.18 +/- 2.93   1.282% *  0.0689% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    LEU   73  16.88 +/- 2.07   0.841% *  0.0994% (0.99   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  15.18 +/- 2.30   1.098% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  21.79 +/- 4.47   0.516% *  0.0948% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LEU   73  18.94 +/- 2.86   0.654% *  0.0728% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    LEU   73  13.87 +/- 1.96   1.504% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.09 +/- 1.85   1.078% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.454, support = 6.16, residual support = 152.5:
      O   HB3   LEU   73 - HN    LEU   73   3.09 +/- 0.42  46.945% * 58.6128% (0.41  10.0   6.50 172.16) =  86.390%  kept
          HB3   LYS+  74 - HN    LEU   73   6.04 +/- 0.91  10.186% * 28.0181% (0.87   1.0   4.53  41.66) =   8.960%  kept
          HB    VAL   42 - HN    LEU   73   6.27 +/- 1.63  11.384% * 11.3763% (0.49   1.0   3.28   0.62) =   4.066%  kept
          HG12  ILE   19 - HN    LEU   73   8.35 +/- 5.49  14.979% *  1.1626% (0.28   1.0   0.59   5.22) =   0.547%  kept
          QB    LEU   98 - HN    LEU   73   9.35 +/- 2.07   2.408% *  0.1423% (1.00   1.0   0.02   0.02) =   0.011%
          HB2   LYS+ 112 - HN    LEU   73  18.72 +/- 5.65   6.499% *  0.0440% (0.31   1.0   0.02   0.11) =   0.009%
          HG3   LYS+  33 - HN    LEU   73  11.43 +/- 3.25   1.925% *  0.0807% (0.57   1.0   0.02   0.02) =   0.005%
          HB2   LEU   80 - HN    LEU   73  13.87 +/- 3.42   0.929% *  0.0979% (0.69   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   73  11.52 +/- 1.24   1.123% *  0.0694% (0.49   1.0   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LEU   73  16.63 +/- 3.43   0.500% *  0.1316% (0.92   1.0   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    LEU   73  17.52 +/- 3.10   0.396% *  0.1191% (0.84   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LEU   73  14.07 +/- 4.17   1.148% *  0.0282% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   73  16.14 +/- 2.37   0.470% *  0.0535% (0.38   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   73  16.63 +/- 3.37   0.571% *  0.0317% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  14.07 +/- 1.32   0.535% *  0.0317% (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 = 0.974, support = 8.02, residual support = 170.5:
          QD2   LEU   73 - HN    LEU   73   1.83 +/- 0.25  85.046% * 84.3597% (0.98   8.07 172.16) =  99.021%  kept
          QG1   VAL   43 - HN    LEU   73   5.78 +/- 1.22   4.719% * 14.2359% (0.38   3.56   6.16) =   0.927%  kept
          QG1   VAL   41 - HN    LEU   73   6.65 +/- 1.57   3.246% *  0.9253% (0.57   0.15   0.02) =   0.041%
          HG    LEU   31 - HN    LEU   73   8.75 +/- 2.86   1.480% *  0.2128% (1.00   0.02   1.32) =   0.004%
          QD1   ILE   56 - HN    LEU   73  12.41 +/- 3.92   1.724% *  0.1708% (0.80   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    LEU   73   8.79 +/- 4.87   3.621% *  0.0422% (0.20   0.02   0.68) =   0.002%
          HG3   LYS+ 121 - HN    LEU   73  17.32 +/- 2.79   0.164% *  0.0532% (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 = 0.581, support = 5.82, residual support = 149.9:
          QD1   LEU   73 - HN    LEU   73   3.35 +/- 0.72  44.191% * 62.7199% (0.57   6.54 172.16) =  87.094%  kept
          QG2   VAL   41 - HN    LEU   73   5.52 +/- 1.87  23.782% *  7.2934% (0.61   0.71   0.02) =   5.450%  kept
          QD1   LEU   63 - HN    LEU   73   8.65 +/- 2.25  11.785% * 12.1792% (0.57   1.27   0.14) =   4.510%  kept
          QD2   LEU   63 - HN    LEU   73   8.58 +/- 1.66   5.301% * 17.3691% (1.00   1.03   0.14) =   2.893%  kept
          QD2   LEU   98 - HN    LEU   73   8.40 +/- 2.36   6.407% *  0.1393% (0.41   0.02   0.02) =   0.028%
          QD2   LEU  115 - HN    LEU   73  12.30 +/- 3.84   4.732% *  0.0845% (0.25   0.02   0.02) =   0.013%
          QD1   LEU   80 - HN    LEU   73  12.19 +/- 3.60   1.629% *  0.1393% (0.41   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    LEU   73  11.34 +/- 3.25   2.174% *  0.0754% (0.22   0.02   0.02) =   0.005%
    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 = 0.691, support = 3.03, residual support = 3.82:
          QB    ALA   64 - HN    LEU   73   5.21 +/- 0.56  47.707% * 86.4425% (0.73   3.35   4.28) =  87.371%  kept
          QG1   VAL   42 - HN    LEU   73   5.44 +/- 2.14  45.621% * 13.0305% (0.45   0.82   0.62) =  12.595%  kept
          QB    ALA   47 - HN    LEU   73  13.84 +/- 1.01   2.838% *  0.4025% (0.57   0.02   0.02) =   0.024%
          HG2   LYS+ 112 - HN    LEU   73  18.21 +/- 5.51   3.833% *  0.1245% (0.18   0.02   0.11) =   0.010%
    Distance limit 4.75 A violated in 0 structures by 0.31 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.276, support = 1.68, residual support = 5.97:
          QG2   VAL   43 - HN    LEU   73   5.85 +/- 1.09  50.337% * 90.9061% (0.25   1.74   6.16) =  96.106%  kept
          QD2   LEU   31 - HN    LEU   73   7.27 +/- 2.63  35.550% *  4.1821% (1.00   0.02   1.32) =   3.123%  kept
          QG2   VAL   83 - HN    LEU   73  11.95 +/- 2.64   8.836% *  3.0368% (0.73   0.02   0.02) =   0.564%  kept
          QD1   ILE   89 - HN    LEU   73  14.07 +/- 2.60   5.277% *  1.8750% (0.45   0.02   0.02) =   0.208%  kept
    Distance limit 4.62 A violated in 2 structures by 0.71 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.564, support = 4.79, residual support = 86.6:
      O   HB2   PHE   72 - HN    PHE   72   3.48 +/- 0.45  68.648% * 79.6437% (0.53  10.0   4.98  90.50) =  91.305%  kept
          HA    ALA   64 - HN    PHE   72   5.30 +/- 0.78  25.638% * 20.3030% (0.97   1.0   2.78  45.58) =   8.693%  kept
          HB3   ASN   69 - HN    PHE   72   9.03 +/- 0.78   4.722% *  0.0234% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    PHE   72  14.74 +/- 0.96   0.992% *  0.0300% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 90.5:
      O   HB3   PHE   72 - HN    PHE   72   3.09 +/- 0.45  81.407% * 99.3598% (0.76  10.0   5.28  90.50) =  99.978%  kept
          HB2   ASP-  44 - HN    PHE   72   8.30 +/- 0.98   5.956% *  0.1128% (0.87   1.0   0.02   0.02) =   0.008%
          QG    GLU-  15 - HN    PHE   72  11.57 +/- 5.46   3.926% *  0.1230% (0.95   1.0   0.02   0.02) =   0.006%
          QG    GLU-  14 - HN    PHE   72  12.32 +/- 5.62   3.192% *  0.1086% (0.84   1.0   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    PHE   72  13.71 +/- 2.89   3.586% *  0.0443% (0.34   1.0   0.02   0.02) =   0.002%
          QB    MET   11 - HN    PHE   72  18.68 +/- 3.67   0.464% *  0.1166% (0.90   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    PHE   72  20.54 +/- 1.91   0.346% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  16.00 +/- 2.05   0.757% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  20.17 +/- 1.94   0.366% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.984, support = 3.95, residual support = 18.9:
          HG    LEU   71 - HN    PHE   72   5.22 +/- 0.56  33.034% * 88.2871% (0.99   4.19  20.04) =  94.152%  kept
          HG13  ILE   19 - HN    PHE   72   8.16 +/- 6.19  30.754% *  2.3908% (0.95   0.12   0.14) =   2.374%  kept
          HG2   LYS+  74 - HN    PHE   72   8.04 +/- 1.31  11.155% *  4.8509% (1.00   0.23   1.89) =   1.747%  kept
          QG2   THR   39 - HN    PHE   72   7.35 +/- 1.95  16.125% *  3.1956% (0.65   0.23   0.02) =   1.664%  kept
          HG3   LYS+  99 - HN    PHE   72  13.51 +/- 2.54   2.389% *  0.4256% (1.00   0.02   0.02) =   0.033%
          HG3   LYS+  38 - HN    PHE   72  14.40 +/- 1.84   1.865% *  0.1597% (0.38   0.02   0.02) =   0.010%
          QG2   ILE   56 - HN    PHE   72  13.57 +/- 2.20   2.735% *  0.0948% (0.22   0.02   0.02) =   0.008%
          QB    ALA   91 - HN    PHE   72  17.19 +/- 1.28   0.911% *  0.2753% (0.65   0.02   0.02) =   0.008%
          HG12  ILE   89 - HN    PHE   72  20.35 +/- 2.18   0.567% *  0.1750% (0.41   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    PHE   72  22.60 +/- 3.18   0.463% *  0.1452% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.28 A violated in 0 structures by 0.15 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.934, support = 5.28, residual support = 20.3:
          QD2   LEU   71 - HN    PHE   72   3.88 +/- 0.24  47.621% * 89.8554% (0.97   5.48  20.04) =  95.162%  kept
          QD1   LEU   67 - HN    PHE   72   5.40 +/- 1.55  27.842% *  7.2020% (0.31   1.37  27.19) =   4.459%  kept
          HG3   LYS+  74 - HN    PHE   72   8.49 +/- 1.67   6.984% *  2.0417% (0.53   0.23   1.89) =   0.317%  kept
          QD2   LEU   40 - HN    PHE   72   7.65 +/- 1.80  11.457% *  0.0945% (0.28   0.02   0.02) =   0.024%
          QG2   ILE  119 - HN    PHE   72  12.96 +/- 2.34   2.735% *  0.3279% (0.97   0.02   0.02) =   0.020%
          QD1   ILE  103 - HN    PHE   72  12.57 +/- 1.55   1.728% *  0.3390% (1.00   0.02   0.02) =   0.013%
          QG2   ILE  103 - HN    PHE   72  12.73 +/- 1.59   1.633% *  0.1397% (0.41   0.02   0.02) =   0.005%
    Distance limit 3.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 851 (4.02, 9.36, 127.59 ppm):
    8 chemical-shift based assignments, quality = 0.735, support = 3.06, residual support = 43.2:
          HA    VAL   70 - HN    PHE   72   4.98 +/- 0.39  34.066% * 87.6556% (0.80   3.38  49.66) =  86.571%  kept
          HA    VAL   18 - HN    PHE   72   7.49 +/- 7.72  44.363% * 10.2269% (0.31   1.02   1.38) =  13.153%  kept
          HB2   SER   37 - HN    PHE   72  10.87 +/- 2.09   7.788% *  0.5615% (0.87   0.02   0.02) =   0.127%  kept
          HA    GLN  116 - HN    PHE   72  16.40 +/- 3.73   4.410% *  0.5183% (0.80   0.02   0.02) =   0.066%
          HA1   GLY   16 - HN    PHE   72  11.53 +/- 7.29   5.042% *  0.3405% (0.53   0.02   0.02) =   0.050%
          HA    LYS+  33 - HN    PHE   72  13.88 +/- 1.98   2.135% *  0.3151% (0.49   0.02   0.02) =   0.020%
          HA    GLU-  29 - HN    PHE   72  14.70 +/- 1.91   1.557% *  0.2208% (0.34   0.02   0.02) =   0.010%
          HB2   SER   82 - HN    PHE   72  20.89 +/- 2.55   0.640% *  0.1614% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.91 A violated in 0 structures by 0.06 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.24, residual support = 34.7:
          HB    VAL   70 - HN    LEU   71   4.23 +/- 0.28  72.956% * 97.8469% (0.98   6.25  34.76) =  99.747%  kept
          QG    GLN   17 - HN    LEU   71  11.72 +/- 6.12  11.383% *  1.4144% (1.00   0.09   0.02) =   0.225%  kept
          HB2   MET   96 - HN    LEU   71  12.27 +/- 2.14   4.025% *  0.2065% (0.65   0.02   0.02) =   0.012%
          HB2   LYS+  38 - HN    LEU   71  11.17 +/- 2.13   5.182% *  0.0888% (0.28   0.02   0.02) =   0.006%
          HB2   GLU-  25 - HN    LEU   71  18.69 +/- 2.18   0.990% *  0.3164% (0.99   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    LEU   71  12.87 +/- 3.53   4.074% *  0.0711% (0.22   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  16.57 +/- 1.61   1.390% *  0.0559% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.978, support = 6.33, residual support = 140.0:
      O   HB2   LEU   71 - HN    LEU   71   3.00 +/- 0.52  78.085% * 96.4057% (0.98  10.0   6.35 140.54) =  99.601%  kept
          HB    VAL   41 - HN    LEU   71   7.20 +/- 1.87   9.267% *  3.1647% (0.45   1.0   1.44   2.81) =   0.388%  kept
          QB    LYS+  66 - HN    LEU   71  10.14 +/- 1.39   4.572% *  0.0636% (0.65   1.0   0.02   0.02) =   0.004%
          QB    LYS+  65 - HN    LEU   71  10.79 +/- 0.71   2.167% *  0.0975% (0.99   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LEU   71  12.60 +/- 6.13   3.472% *  0.0517% (0.53   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   71  14.30 +/- 3.03   0.976% *  0.0981% (1.00   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   71  13.97 +/- 2.38   1.116% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  20.13 +/- 2.16   0.345% *  0.0882% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 5.74, residual support = 135.8:
          HG    LEU   71 - HN    LEU   71   3.35 +/- 0.68  52.444% * 81.0028% (0.99   5.92 140.54) =  96.594%  kept
          HG13  ILE   19 - HN    LEU   71   9.82 +/- 5.60   7.202% * 13.4516% (0.95   1.03   0.45) =   2.203%  kept
          QG2   THR   39 - HN    LEU   71   5.41 +/- 2.60  31.484% *  1.4647% (0.65   0.16   0.15) =   1.049%  kept
          HG2   LYS+  74 - HN    LEU   71  11.49 +/- 1.51   1.675% *  3.2532% (1.00   0.24   0.84) =   0.124%  kept
          HG3   LYS+  99 - HN    LEU   71  11.31 +/- 3.37   3.565% *  0.2762% (1.00   0.02   0.02) =   0.022%
          HG3   LYS+  38 - HN    LEU   71  11.49 +/- 2.69   1.871% *  0.1036% (0.38   0.02   0.02) =   0.004%
          QB    ALA   91 - HN    LEU   71  19.44 +/- 1.52   0.408% *  0.1787% (0.65   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    LEU   71  15.14 +/- 2.01   0.909% *  0.0615% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    LEU   71  22.66 +/- 2.03   0.208% *  0.1135% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  23.81 +/- 3.10   0.235% *  0.0942% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.16 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.894, support = 6.08, residual support = 96.6:
          QD1   LEU   71 - HN    LEU   71   3.20 +/- 0.82  54.372% * 42.3354% (0.84   6.25 140.54) =  58.828%  kept
          QG1   VAL   70 - HN    LEU   71   4.10 +/- 0.33  32.990% * 47.5199% (0.98   5.98  34.76) =  40.065%  kept
          QG1   VAL   18 - HN    LEU   71   9.97 +/- 5.08   4.553% *  7.1275% (1.00   0.88   0.02) =   0.829%  kept
          HB3   LEU   63 - HN    LEU   71   9.67 +/- 2.11   3.782% *  2.7708% (0.69   0.50   0.02) =   0.268%  kept
          QD1   LEU  123 - HN    LEU   71  12.97 +/- 3.35   1.711% *  0.1354% (0.84   0.02   0.02) =   0.006%
          HB3   LEU  104 - HN    LEU   71  13.24 +/- 3.30   2.202% *  0.0789% (0.49   0.02   0.02) =   0.004%
          QG1   VAL  108 - HN    LEU   71  18.37 +/- 1.74   0.390% *  0.0321% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.37, residual support = 34.8:
          QG2   VAL   70 - HN    LEU   71   2.79 +/- 0.50 100.000% *100.0000% (0.73   6.37  34.76) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.43, residual support = 79.9:
      O   HB    VAL   70 - HN    VAL   70   2.63 +/- 0.37  88.529% * 99.6297% (0.76  10.0   4.43  79.92) =  99.987%  kept
          QG    GLN   17 - HN    VAL   70  11.53 +/- 6.37   9.355% *  0.1089% (0.84   1.0   0.02   0.02) =   0.012%
          HB2   LYS+  38 - HN    VAL   70  13.64 +/- 2.21   0.809% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   70  20.78 +/- 3.18   0.274% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.70 +/- 2.08   0.701% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.33 +/- 2.84   0.332% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.805, support = 0.702, residual support = 5.69:
          HB3   LEU   67 - HN    VAL   70   4.28 +/- 1.17  35.672% * 30.6593% (0.87   0.78   0.29) =  65.372%  kept
          HG    LEU   40 - HN    VAL   70   7.43 +/- 3.36  10.108% * 25.2371% (0.61   0.91  35.76) =  15.248%  kept
          HG    LEU   67 - HN    VAL   70   5.04 +/- 1.29  24.403% *  5.2556% (0.49   0.24   0.29) =   7.666%  kept
          QG    LYS+  66 - HN    VAL   70   7.49 +/- 1.18   9.505% * 12.5471% (0.98   0.28   0.02) =   7.129%  kept
          HG    LEU   73 - HN    VAL   70  11.58 +/- 1.74   2.587% * 21.1429% (0.99   0.47   0.73) =   3.270%  kept
          HG12  ILE   19 - HN    VAL   70  11.06 +/- 5.24   7.029% *  2.1611% (0.41   0.12   0.02) =   0.908%  kept
          QB    ALA   61 - HN    VAL   70  10.09 +/- 1.72   8.046% *  0.6612% (0.73   0.02   0.02) =   0.318%  kept
          HB3   LEU  115 - HN    VAL   70  15.52 +/- 1.95   1.033% *  0.5523% (0.61   0.02   0.02) =   0.034%
          HG2   LYS+ 102 - HN    VAL   70  19.22 +/- 3.09   0.447% *  0.8613% (0.95   0.02   0.02) =   0.023%
          HG    LEU   80 - HN    VAL   70  19.93 +/- 3.98   0.732% *  0.4790% (0.53   0.02   0.02) =   0.021%
          QB    ALA  110 - HN    VAL   70  18.81 +/- 1.88   0.439% *  0.4432% (0.49   0.02   0.02) =   0.012%
    Distance limit 4.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.932, support = 4.66, residual support = 74.4:
          QG1   VAL   70 - HN    VAL   70   2.46 +/- 0.48  75.793% * 52.2989% (0.92   4.77  79.92) =  87.758%  kept
          QD1   LEU   71 - HN    VAL   70   5.70 +/- 1.39  11.729% * 46.9851% (1.00   3.95  34.76) =  12.200%  kept
          QG1   VAL   18 - HN    VAL   70  10.03 +/- 5.37   5.028% *  0.1986% (0.84   0.02   0.02) =   0.022%
          HB3   LEU   63 - HN    VAL   70   8.06 +/- 1.85   5.604% *  0.0811% (0.34   0.02   0.02) =   0.010%
          QD1   LEU  123 - HN    VAL   70  11.87 +/- 4.00   1.253% *  0.2377% (1.00   0.02   0.02) =   0.007%
          HB3   LEU  104 - HN    VAL   70  14.94 +/- 3.23   0.592% *  0.1986% (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 = 4.01, residual support = 79.9:
          QG2   VAL   70 - HN    VAL   70   3.69 +/- 0.15 100.000% *100.0000% (0.98   4.01  79.92) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.95, residual support = 59.1:
      O   HB2   ASN   69 - HD22  ASN   69   3.83 +/- 0.40  69.522% * 99.7633% (0.55  10.0   2.95  59.08) =  99.989%  kept
          QE    LYS+  33 - HD22  ASN   69  14.63 +/- 4.16  14.704% *  0.0227% (0.12   1.0   0.02   0.02) =   0.005%
          QE    LYS+  66 - HD22  ASN   69   9.62 +/- 3.10  14.120% *  0.0227% (0.12   1.0   0.02   0.02) =   0.005%
          HB2   ASP-  76 - HD22  ASN   69  20.74 +/- 2.22   0.510% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  24.17 +/- 2.96   0.358% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  20.69 +/- 4.38   0.786% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.557, support = 3.01, residual support = 22.5:
          QG1   VAL   70 - HD22  ASN   69   4.59 +/- 1.34  43.345% * 85.7774% (0.56   3.26  24.71) =  91.201%  kept
          QD1   LEU   71 - HD22  ASN   69   7.45 +/- 2.35  27.558% * 12.5944% (0.53   0.50   0.02) =   8.514%  kept
          QD1   LEU  123 - HD22  ASN   69  12.24 +/- 4.99  12.397% *  0.4994% (0.53   0.02   0.02) =   0.152%  kept
          HB3   LEU   63 - HD22  ASN   69  10.31 +/- 3.42  12.458% *  0.2778% (0.30   0.02   0.02) =   0.085%
          QG1   VAL   18 - HD22  ASN   69  12.75 +/- 4.30   3.196% *  0.5095% (0.54   0.02   0.02) =   0.040%
          HB3   LEU  104 - HD22  ASN   69  16.18 +/- 4.12   1.047% *  0.3415% (0.36   0.02   0.02) =   0.009%
    Distance limit 4.43 A violated in 0 structures by 0.08 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   3.87 +/- 0.58 100.000% *100.0000% (0.92   2.95   2.95) = 100.000%  kept
    Distance limit 4.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.11, residual support = 31.2:
          HD2   PRO   68 - HN    ASN   69   3.27 +/- 0.92  94.159% * 99.2025% (0.80   6.11  31.25) =  99.982%  kept
          HA    ALA   61 - HN    ASN   69  11.48 +/- 1.95   3.147% *  0.3833% (0.95   0.02   0.02) =   0.013%
          HA    VAL   75 - HN    ASN   69  15.12 +/- 1.95   1.794% *  0.1521% (0.38   0.02   0.02) =   0.003%
          HD3   PRO   58 - HN    ASN   69  17.69 +/- 1.61   0.900% *  0.2621% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.61 A violated in 0 structures by 0.03 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   3.48 +/- 0.85  93.160% * 98.4639% (0.99   5.97  31.25) =  99.978%  kept
          HD2   ARG+  54 - HN    ASN   69  21.08 +/- 6.18   2.283% *  0.3072% (0.92   0.02   0.02) =   0.008%
          HB2   PHE   59 - HN    ASN   69  14.85 +/- 1.79   1.768% *  0.2544% (0.76   0.02   0.02) =   0.005%
          QB    PHE   55 - HN    ASN   69  19.25 +/- 2.62   1.045% *  0.3212% (0.97   0.02   0.02) =   0.004%
          HB3   CYS   53 - HN    ASN   69  19.61 +/- 2.60   0.933% *  0.3212% (0.97   0.02   0.02) =   0.003%
          HD3   PRO   93 - HN    ASN   69  22.15 +/- 2.78   0.810% *  0.3321% (1.00   0.02   0.02) =   0.003%
    Distance limit 4.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.696, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.17 +/- 1.32  35.023% * 39.8620% (0.87   0.02   0.02) =  55.636%  kept
          HA    ALA   64 - HN    ASN   69   6.53 +/- 1.45  58.947% * 14.1837% (0.31   0.02   0.02) =  33.320%  kept
          HB3   ASN   35 - HN    ASN   69  17.37 +/- 2.68   6.030% * 45.9543% (1.00   0.02   0.02) =  11.044%  kept
    Distance limit 3.97 A violated in 15 structures by 2.19 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 = 24.6:
          HB    VAL   70 - HN    ASN   69   4.57 +/- 0.57  69.298% * 89.1772% (0.15   3.84  24.71) =  99.506%  kept
          QG    GLN   17 - HN    ASN   69  11.78 +/- 6.13  17.236% *  0.5956% (0.20   0.02   0.02) =   0.165%  kept
          HB2   LYS+  38 - HN    ASN   69  14.36 +/- 2.67   3.386% *  2.9831% (0.99   0.02   0.02) =   0.163%  kept
          HG3   GLU-  29 - HN    ASN   69  20.61 +/- 3.53   1.394% *  2.4100% (0.80   0.02   0.02) =   0.054%
          HB3   GLU-  29 - HN    ASN   69  19.28 +/- 3.57   2.421% *  1.2373% (0.41   0.02   0.02) =   0.048%
          QB    GLU-  36 - HN    ASN   69  15.60 +/- 2.68   3.435% *  0.5271% (0.18   0.02   0.02) =   0.029%
          HB2   GLU-  25 - HN    ASN   69  22.01 +/- 4.03   1.071% *  0.8368% (0.28   0.02   0.02) =   0.014%
          HB2   GLN   90 - HN    ASN   69  27.79 +/- 3.52   0.398% *  1.8255% (0.61   0.02   0.02) =   0.012%
          HB3   GLU-  79 - HN    ASN   69  20.15 +/- 2.96   1.361% *  0.4073% (0.14   0.02   0.02) =   0.009%
    Distance limit 4.71 A violated in 0 structures by 0.14 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.94, support = 6.03, residual support = 31.2:
      O   HB3   PRO   68 - HN    ASN   69   4.01 +/- 0.60  30.121% * 95.4500% (0.99  10.0   6.03  31.25) =  94.068%  kept
          HG2   PRO   68 - HN    ASN   69   3.47 +/- 1.23  45.804% *  3.9295% (0.14   1.0   6.03  31.25) =   5.889%  kept
          HB2   GLN   17 - HN    ASN   69  12.66 +/- 6.43   6.363% *  0.0699% (0.73   1.0   0.02   0.02) =   0.015%
          QB    GLU-  15 - HN    ASN   69  12.26 +/- 5.23   4.021% *  0.0699% (0.73   1.0   0.02   0.02) =   0.009%
          HG3   GLN   30 - HN    ASN   69  15.02 +/- 3.41   2.922% *  0.0835% (0.87   1.0   0.02   0.02) =   0.008%
          HB    ILE   19 - HN    ASN   69  12.99 +/- 5.29   5.510% *  0.0169% (0.18   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    ASN   69  14.71 +/- 2.68   1.547% *  0.0545% (0.57   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    ASN   69  15.43 +/- 3.68   0.728% *  0.0545% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASN   69  17.68 +/- 3.71   0.542% *  0.0623% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  21.05 +/- 5.17   0.865% *  0.0268% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ASN   69  22.43 +/- 4.01   0.355% *  0.0507% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASN   69  23.21 +/- 2.87   0.207% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ASN   69  18.43 +/- 3.43   0.629% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.30 +/- 2.96   0.387% *  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 = 31.2:
          HG3   PRO   68 - HN    ASN   69   4.04 +/- 0.65  75.013% * 92.7611% (0.38   5.49  31.25) =  99.775%  kept
          HB3   GLN   30 - HN    ASN   69  14.72 +/- 2.74   6.828% *  0.7206% (0.80   0.02   0.02) =   0.071%
          QB    LYS+  33 - HN    ASN   69  14.82 +/- 2.85   5.475% *  0.5458% (0.61   0.02   0.02) =   0.043%
          HB3   LYS+  38 - HN    ASN   69  13.59 +/- 2.72   3.019% *  0.8513% (0.95   0.02   0.02) =   0.037%
          QB    LYS+ 106 - HN    ASN   69  17.59 +/- 2.75   1.388% *  0.7206% (0.80   0.02   0.02) =   0.014%
          HB    ILE   56 - HN    ASN   69  18.21 +/- 1.96   1.066% *  0.8979% (1.00   0.02   0.02) =   0.014%
          HB3   ASP- 105 - HN    ASN   69  16.31 +/- 3.48   1.835% *  0.4380% (0.49   0.02   0.02) =   0.012%
          HG2   ARG+  54 - HN    ASN   69  20.66 +/- 5.29   1.731% *  0.4034% (0.45   0.02   0.02) =   0.010%
          HB3   PRO   58 - HN    ASN   69  16.88 +/- 1.67   1.487% *  0.4034% (0.45   0.02   0.02) =   0.009%
          QB    LYS+  81 - HN    ASN   69  23.20 +/- 2.80   0.512% *  0.6877% (0.76   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ASN   69  19.71 +/- 2.43   0.830% *  0.3700% (0.41   0.02   0.02) =   0.004%
          HB2   MET   92 - HN    ASN   69  23.72 +/- 2.87   0.481% *  0.5821% (0.65   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    ASN   69  27.61 +/- 3.59   0.335% *  0.6181% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.27 A violated in 0 structures by 0.15 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.713, support = 4.24, residual support = 23.4:
          QG1   VAL   70 - HN    ASN   69   3.43 +/- 0.88  60.515% * 81.5833% (0.73   4.40  24.71) =  94.786%  kept
          QD1   LEU   71 - HN    ASN   69   6.98 +/- 1.63  15.512% * 16.8999% (0.49   1.36   0.02) =   5.033%  kept
          QG1   VAL   18 - HN    ASN   69  10.89 +/- 5.14   9.923% *  0.4263% (0.84   0.02   0.02) =   0.081%
          HB3   LEU   63 - HN    ASN   69   8.83 +/- 2.17   7.639% *  0.4926% (0.97   0.02   0.02) =   0.072%
          QD1   LEU  123 - HN    ASN   69  12.03 +/- 4.51   4.869% *  0.2484% (0.49   0.02   0.02) =   0.023%
          QG1   VAL  108 - HN    ASN   69  20.04 +/- 2.70   0.530% *  0.2484% (0.49   0.02   0.02) =   0.003%
          HB3   LEU  104 - HN    ASN   69  16.40 +/- 3.39   1.013% *  0.1010% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.987, support = 4.26, residual support = 20.1:
          HD2   PRO   68 - HN    LEU   67   3.71 +/- 0.88  55.537% * 96.4861% (1.00   4.28  20.10) =  98.925%  kept
          HA    VAL   24 - HE3   TRP   27   5.66 +/- 0.47  19.946% *  2.6551% (0.04   2.74  23.72) =   0.978%  kept
          HA    ALA   61 - HN    LEU   67   7.56 +/- 0.57   9.017% *  0.4361% (0.97   0.02   0.02) =   0.073%
          HA    VAL   24 - HN    LEU   67  17.43 +/- 3.79   3.557% *  0.1541% (0.34   0.02   0.02) =   0.010%
          HA    ALA   61 - HE3   TRP   27  13.23 +/- 2.54   7.284% *  0.0548% (0.12   0.02   0.02) =   0.007%
          HD3   PRO   58 - HN    LEU   67  13.69 +/- 1.62   1.759% *  0.1395% (0.31   0.02   0.02) =   0.005%
          HD2   PRO   68 - HE3   TRP   27  15.18 +/- 2.54   1.851% *  0.0567% (0.13   0.02   0.02) =   0.002%
          HD3   PRO   58 - HE3   TRP   27  19.16 +/- 3.30   1.048% *  0.0175% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.34, residual support = 20.1:
          HD3   PRO   68 - HN    LEU   67   3.67 +/- 0.95  77.494% * 97.4168% (0.76   4.34  20.10) =  99.913%  kept
          HD2   ARG+  54 - HN    LEU   67  16.78 +/- 4.90   5.085% *  0.5752% (0.98   0.02   0.02) =   0.039%
          HB2   PHE   59 - HN    LEU   67  11.26 +/- 1.71   4.972% *  0.2413% (0.41   0.02   0.02) =   0.016%
          HB3   CYS   53 - HN    LEU   67  15.14 +/- 2.41   1.618% *  0.5551% (0.95   0.02   0.02) =   0.012%
          QB    PHE   55 - HN    LEU   67  15.58 +/- 1.72   1.653% *  0.4031% (0.69   0.02   0.02) =   0.009%
          HD3   PRO   93 - HN    LEU   67  18.18 +/- 2.96   0.893% *  0.4699% (0.80   0.02   0.02) =   0.006%
          HD3   PRO   68 - HE3   TRP   27  15.20 +/- 2.51   2.011% *  0.0564% (0.10   0.02   0.02) =   0.002%
          HB3   CYS   53 - HE3   TRP   27  18.26 +/- 2.74   1.325% *  0.0698% (0.12   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HE3   TRP   27  22.20 +/- 4.39   0.888% *  0.0723% (0.12   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  16.95 +/- 3.31   2.111% *  0.0303% (0.05   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  19.58 +/- 2.85   1.097% *  0.0507% (0.09   0.02   0.02) =   0.001%
          HD3   PRO   93 - HE3   TRP   27  19.16 +/- 2.21   0.854% *  0.0591% (0.10   0.02   0.02) =   0.001%
    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 = 0.598, support = 2.61, residual support = 8.04:
          HA    ALA   64 - HN    LEU   67   3.22 +/- 0.46  75.810% * 23.6462% (0.65   1.20   3.81) =  59.801%  kept
          QE    LYS+  66 - HN    LEU   67   5.74 +/- 0.58  15.913% * 75.6885% (0.53   4.70  14.35) =  40.178%  kept
          HB3   ASN   35 - HN    LEU   67  19.93 +/- 2.21   0.441% *  0.5108% (0.84   0.02   0.02) =   0.008%
          HA    ALA   64 - HE3   TRP   27  11.24 +/- 2.13   4.338% *  0.0497% (0.08   0.02   0.02) =   0.007%
          HB3   ASN   35 - HE3   TRP   27  12.47 +/- 1.45   1.651% *  0.0642% (0.10   0.02   0.02) =   0.004%
          QE    LYS+  66 - HE3   TRP   27  16.33 +/- 3.07   1.847% *  0.0404% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.32 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 = 0.608, support = 5.07, residual support = 58.7:
      O   HB2   LEU   67 - HN    LEU   67   2.92 +/- 0.47  56.513% * 82.2971% (0.61  10.0   5.12  60.35) =  95.974%  kept
          HG2   PRO   68 - HN    LEU   67   5.86 +/- 0.83  11.334% * 17.1229% (0.65   1.0   3.90  20.10) =   4.005%  kept
          HB    ILE   19 - HN    LEU   67  12.59 +/- 4.23   4.301% *  0.0768% (0.57   1.0   0.02   0.02) =   0.007%
          HB    VAL   18 - HN    LEU   67  10.39 +/- 6.54   5.994% *  0.0463% (0.34   1.0   0.02   0.02) =   0.006%
          HB    ILE   19 - HE3   TRP   27   7.05 +/- 2.71  12.144% *  0.0097% (0.07   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    LEU   67  14.49 +/- 2.02   0.656% *  0.1309% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   LEU  115 - HN    LEU   67  14.58 +/- 1.70   0.604% *  0.1284% (0.95   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    LEU   67  16.27 +/- 2.62   0.514% *  0.0660% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    LEU   67  16.62 +/- 4.24   1.189% *  0.0209% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HE3   TRP   27  17.91 +/- 3.55   1.107% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  12.78 +/- 2.75   1.072% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  11.41 +/- 2.16   1.321% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  21.69 +/- 3.62   0.215% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.53 +/- 3.60   0.316% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.24 +/- 0.42   1.536% *  0.0034% (0.02   1.0   0.02   0.59) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  16.54 +/- 2.56   0.427% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.51 +/- 3.11   0.429% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.42 +/- 4.42   0.327% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.926, support = 4.56, residual support = 13.0:
          QB    LYS+  66 - HN    LEU   67   3.03 +/- 0.54  50.233% * 74.1224% (0.95   4.84  14.35) =  90.685%  kept
          QB    LYS+  65 - HN    LEU   67   4.79 +/- 0.34  16.040% * 22.6775% (0.76   1.83   0.29) =   8.859%  kept
          HB    VAL   41 - HE3   TRP   27   8.23 +/- 2.89  12.599% *  1.3389% (0.10   0.82   0.11) =   0.411%  kept
          HB    VAL   41 - HN    LEU   67  12.39 +/- 2.20   1.614% *  0.2592% (0.80   0.02   0.02) =   0.010%
          HB2   LEU   71 - HN    LEU   67  10.25 +/- 0.95   1.421% *  0.2351% (0.73   0.02   0.02) =   0.008%
          HG    LEU  123 - HN    LEU   67  14.28 +/- 4.90   1.652% *  0.1215% (0.38   0.02   0.02) =   0.005%
          HG2   PRO   93 - HN    LEU   67  16.98 +/- 2.63   0.571% *  0.3209% (0.99   0.02   0.02) =   0.004%
          HB2   LEU   71 - HE3   TRP   27  10.46 +/- 2.93   5.964% *  0.0296% (0.09   0.02   0.02) =   0.004%
          HB3   GLN   17 - HN    LEU   67  12.38 +/- 5.87   2.198% *  0.0721% (0.22   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    LEU   67  19.16 +/- 2.43   0.233% *  0.2808% (0.87   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    LEU   67  18.09 +/- 2.39   0.303% *  0.2094% (0.65   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HE3   TRP   27  13.62 +/- 3.71   1.587% *  0.0353% (0.11   0.02   0.02) =   0.001%
          QB    LYS+  66 - HE3   TRP   27  14.41 +/- 2.28   1.165% *  0.0385% (0.12   0.02   0.02) =   0.001%
          QB    LYS+  65 - HE3   TRP   27  13.47 +/- 2.06   1.188% *  0.0311% (0.10   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  12.53 +/- 3.14   1.347% *  0.0263% (0.08   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   67  19.50 +/- 2.28   0.274% *  0.1215% (0.38   0.02   0.02) =   0.001%
          HG2   PRO   93 - HE3   TRP   27  18.84 +/- 1.98   0.274% *  0.0403% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  13.69 +/- 2.01   0.790% *  0.0091% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  20.49 +/- 3.74   0.346% *  0.0153% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  21.95 +/- 2.55   0.201% *  0.0153% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.573, support = 5.19, residual support = 53.6:
      O   HB3   LEU   67 - HN    LEU   67   3.28 +/- 0.63  26.581% * 37.1291% (0.25  10.0   4.46  60.35) =  44.832%  kept
          HG    LEU   67 - HN    LEU   67   3.83 +/- 0.77  19.848% * 44.7947% (1.00   1.0   6.03  60.35) =  40.386%  kept
          QG    LYS+  66 - HN    LEU   67   3.87 +/- 0.58  18.914% * 16.2717% (0.41   1.0   5.32  14.35) =  13.980%  kept
          HG    LEU   73 - HE3   TRP   27   6.06 +/- 3.76  18.945% *  0.8978% (0.08   1.0   1.58  17.39) =   0.773%  kept
          HG    LEU   40 - HN    LEU   67  10.60 +/- 3.01   1.357% *  0.1476% (0.99   1.0   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    LEU   67  12.21 +/- 1.54   0.826% *  0.0903% (0.61   1.0   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    LEU   67  10.96 +/- 2.85   1.060% *  0.0668% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    LEU   67  13.66 +/- 1.61   0.378% *  0.1476% (0.99   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    LEU   67   7.65 +/- 0.56   2.221% *  0.0230% (0.15   1.0   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LEU   67  13.83 +/- 3.40   0.480% *  0.1023% (0.69   1.0   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LEU   67  13.72 +/- 2.13   0.406% *  0.1023% (0.69   1.0   0.02   0.02) =   0.002%
          HG    LEU   67 - HE3   TRP   27  12.99 +/- 3.38   1.589% *  0.0187% (0.13   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HE3   TRP   27  15.70 +/- 4.27   1.121% *  0.0136% (0.09   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HE3   TRP   27  11.92 +/- 1.88   0.761% *  0.0186% (0.12   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   67  22.11 +/- 2.63   0.091% *  0.1081% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  17.69 +/- 3.76   0.712% *  0.0129% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  17.10 +/- 3.13   0.403% *  0.0186% (0.12   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  15.00 +/- 2.58   0.841% *  0.0077% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  12.22 +/- 2.04   0.748% *  0.0084% (0.06   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  12.13 +/- 2.17   1.700% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  12.71 +/- 2.96   0.772% *  0.0047% (0.03   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  17.92 +/- 3.17   0.247% *  0.0129% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.31, support = 4.2, residual support = 59.8:
          QD1   LEU   67 - HN    LEU   67   3.58 +/- 0.74  43.715% * 89.9785% (0.31   4.23  60.35) =  99.154%  kept
          HG3   LYS+  74 - HE3   TRP   27  10.81 +/- 2.43   2.580% *  3.6365% (0.07   0.80   0.02) =   0.237%  kept
          QD2   LEU   71 - HN    LEU   67   8.45 +/- 1.02   5.114% *  1.3290% (0.97   0.02   0.02) =   0.171%  kept
          QG2   ILE  119 - HN    LEU   67  10.32 +/- 3.19   4.987% *  1.3290% (0.97   0.02   0.02) =   0.167%  kept
          HG3   LYS+  74 - HN    LEU   67   9.87 +/- 3.12   5.972% *  0.7245% (0.53   0.02   0.02) =   0.109%  kept
          QD2   LEU   71 - HE3   TRP   27   8.81 +/- 2.48  12.121% *  0.1671% (0.12   0.02   0.02) =   0.051%
          QD2   LEU   40 - HN    LEU   67   9.97 +/- 2.04   3.140% *  0.3829% (0.28   0.02   0.02) =   0.030%
          QD1   ILE  103 - HN    LEU   67  16.07 +/- 1.88   0.608% *  1.3740% (1.00   0.02   0.02) =   0.021%
          QD1   ILE  103 - HE3   TRP   27  10.94 +/- 2.94   3.665% *  0.1727% (0.13   0.02   0.02) =   0.016%
          QG2   ILE  119 - HE3   TRP   27  15.46 +/- 3.52   3.080% *  0.1671% (0.12   0.02   0.02) =   0.013%
          QD1   LEU   67 - HE3   TRP   27   9.82 +/- 2.52   8.116% *  0.0534% (0.04   0.02   0.02) =   0.011%
          QG2   ILE  103 - HN    LEU   67  15.48 +/- 2.33   0.728% *  0.5661% (0.41   0.02   0.02) =   0.010%
          QG2   ILE  103 - HE3   TRP   27  11.88 +/- 2.85   2.755% *  0.0712% (0.05   0.02   0.02) =   0.005%
          QD2   LEU   40 - HE3   TRP   27  10.07 +/- 1.77   3.417% *  0.0481% (0.03   0.02   0.02) =   0.004%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.04, residual support = 30.5:
      O   HA    LYS+  65 - HN    LYS+  66   3.56 +/- 0.05  71.291% * 98.9277% (0.61  10.0   6.05  30.49) =  99.942%  kept
          QB    SER   48 - HN    LYS+  66  16.08 +/- 5.64  12.053% *  0.1617% (0.99   1.0   0.02   0.02) =   0.028%
          HA2   GLY   16 - HN    LYS+  66  13.78 +/- 5.84   5.898% *  0.1120% (0.69   1.0   0.02   0.02) =   0.009%
          HA2   GLY   51 - HN    LYS+  66  17.57 +/- 4.47   4.754% *  0.1362% (0.84   1.0   0.02   0.02) =   0.009%
          HB    THR   94 - HN    LYS+  66  15.98 +/- 3.29   1.877% *  0.1543% (0.95   1.0   0.02   0.02) =   0.004%
          HA    ALA  120 - HN    LYS+  66  14.87 +/- 3.86   1.832% *  0.1574% (0.97   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 121 - HN    LYS+  66  16.68 +/- 3.42   1.012% *  0.1463% (0.90   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    LYS+  66  15.58 +/- 1.82   1.000% *  0.0923% (0.57   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LYS+  66  23.39 +/- 2.51   0.283% *  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 = 2.65, residual support = 7.35:
          HA    LEU   63 - HN    LYS+  66   3.66 +/- 0.36  97.115% * 99.1423% (0.99   2.65   7.35) =  99.985%  kept
          HB2   HIS   22 - HN    LYS+  66  18.22 +/- 4.44   2.406% *  0.5189% (0.69   0.02   0.02) =   0.013%
          HA2   GLY  101 - HN    LYS+  66  22.64 +/- 2.69   0.479% *  0.3387% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.845, support = 4.86, residual support = 24.2:
          HA    ALA   64 - HN    LYS+  66   3.98 +/- 0.42  59.994% * 77.4647% (0.95   4.73   9.08) =  86.101%  kept
          QE    LYS+  66 - HN    LYS+  66   4.99 +/- 0.76  34.140% * 21.8989% (0.22   5.68 118.37) =  13.851%  kept
          HB2   PHE   72 - HN    LYS+  66   9.49 +/- 1.35   5.431% *  0.4680% (0.22   0.12   0.21) =   0.047%
          HB3   ASN   35 - HN    LYS+  66  21.40 +/- 1.94   0.435% *  0.1684% (0.49   0.02   0.02) =   0.001%
    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 = 0.712, support = 5.47, residual support = 101.7:
      O   QB    LYS+  66 - HN    LYS+  66   2.37 +/- 0.25  64.249% * 68.2800% (0.65  10.0   5.35 118.37) =  81.016%  kept
          QB    LYS+  65 - HN    LYS+  66   3.06 +/- 0.33  32.856% * 31.2811% (0.99   1.0   5.98  30.49) =  18.980%  kept
          HB2   LEU   71 - HN    LYS+  66  11.68 +/- 1.18   0.620% *  0.1035% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  66  12.79 +/- 5.60   1.121% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  66  16.28 +/- 2.98   0.431% *  0.0947% (0.90   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  66  13.69 +/- 1.90   0.462% *  0.0473% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  20.28 +/- 2.38   0.117% *  0.1053% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.12 +/- 2.42   0.144% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.558, support = 4.15, residual support = 59.4:
          HG    LEU   67 - HN    LYS+  66   5.54 +/- 1.01  21.703% * 77.9525% (0.87   3.54  14.35) =  56.586%  kept
          QG    LYS+  66 - HN    LYS+  66   3.07 +/- 0.82  66.535% * 19.4529% (0.15   4.97 118.37) =  43.290%  kept
          HG    LEU   40 - HN    LYS+  66  12.11 +/- 3.04   1.863% *  0.3880% (0.76   0.02   0.02) =   0.024%
          QB    ALA  120 - HN    LYS+  66  13.72 +/- 2.87   1.441% *  0.4900% (0.97   0.02   0.02) =   0.024%
          HG    LEU  115 - HN    LYS+  66  13.17 +/- 1.99   1.404% *  0.4900% (0.97   0.02   0.02) =   0.023%
          HB3   LEU   40 - HN    LYS+  66  12.59 +/- 2.78   1.460% *  0.4065% (0.80   0.02   0.02) =   0.020%
          HB3   LEU  115 - HN    LYS+  66  13.24 +/- 1.45   1.307% *  0.3880% (0.76   0.02   0.02) =   0.017%
          HB2   LYS+  74 - HN    LYS+  66  10.54 +/- 2.42   2.886% *  0.1005% (0.20   0.02   0.02) =   0.010%
          HG    LEU   73 - HN    LYS+  66  12.71 +/- 1.52   1.172% *  0.1412% (0.28   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    LYS+  66  23.36 +/- 2.61   0.227% *  0.1905% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.10 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.74, residual support = 9.08:
          QB    ALA   64 - HN    LYS+  66   4.50 +/- 0.17 100.000% *100.0000% (0.95   3.74   9.08) = 100.000%  kept
    Distance limit 4.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 159.5:
      O   HA    LYS+  65 - HN    LYS+  65   2.78 +/- 0.05  84.218% * 99.3218% (0.64  10.0   6.08 159.52) =  99.986%  kept
          QB    SER   48 - HN    LYS+  65  14.78 +/- 4.94   7.202% *  0.0822% (0.53   1.0   0.02   0.02) =   0.007%
          HA2   GLY   16 - HN    LYS+  65  14.22 +/- 5.58   2.033% *  0.1038% (0.67   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    LYS+  65  14.38 +/- 3.18   1.797% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LYS+  65  16.36 +/- 3.69   1.808% *  0.0524% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  15.02 +/- 2.52   0.697% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  65  16.70 +/- 2.09   0.452% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  15.90 +/- 2.72   0.687% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  22.15 +/- 2.02   0.181% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.22 +/- 0.94   0.536% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  20.48 +/- 1.65   0.229% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  23.68 +/- 2.88   0.159% *  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 = 0.648, support = 4.91, residual support = 29.3:
      O   HA    ALA   64 - HN    LYS+  65   3.54 +/- 0.04  74.315% * 95.2529% (0.65  10.0   4.91  29.27) =  98.892%  kept
          QE    LYS+  66 - HN    LYS+  65   6.88 +/- 1.27  16.924% *  4.6756% (0.15   1.0   4.17  30.49) =   1.105%  kept
          HB2   PHE   72 - HN    LYS+  65   8.12 +/- 1.41   8.382% *  0.0224% (0.15   1.0   0.02   0.02) =   0.003%
          HB3   ASN   35 - HN    LYS+  65  21.07 +/- 1.63   0.379% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 6.63, residual support = 155.6:
      O   QB    LYS+  65 - HN    LYS+  65   2.15 +/- 0.15  86.400% * 77.6007% (0.53  10.0   6.69 159.52) =  96.982%  kept
          QB    LYS+  66 - HN    LYS+  65   4.65 +/- 0.30   9.522% * 21.8910% (0.65   1.0   4.56  30.49) =   3.015%  kept
          HG2   PRO   93 - HN    LYS+  65  14.85 +/- 2.58   0.516% *  0.1006% (0.68   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  65  12.81 +/- 1.81   0.613% *  0.0813% (0.55   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LYS+  65  11.43 +/- 0.85   0.666% *  0.0737% (0.50   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65  12.68 +/- 5.44   1.315% *  0.0226% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  14.46 +/- 2.91   0.434% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  18.03 +/- 2.54   0.185% *  0.0657% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.55 +/- 2.34   0.133% *  0.0881% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  17.04 +/- 2.27   0.217% *  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 = 0.166, support = 4.84, residual support = 138.3:
          HG2   LYS+  65 - HN    LYS+  65   3.55 +/- 0.52  64.744% * 57.1129% (0.14   5.38 159.52) =  86.679%  kept
          HG    LEU   67 - HN    LYS+  65   6.67 +/- 1.12  14.638% * 37.9528% (0.36   1.35   0.29) =  13.023%  kept
          HB2   LYS+  74 - HN    LYS+  65   9.01 +/- 2.31   6.950% *  0.5219% (0.34   0.02   0.02) =   0.085%
          HB3   LEU   40 - HN    LYS+  65  12.59 +/- 2.68   2.283% *  1.0698% (0.69   0.02   0.02) =   0.057%
          HG    LEU  115 - HN    LYS+  65  12.27 +/- 1.42   2.136% *  1.0142% (0.65   0.02   0.02) =   0.051%
          QB    ALA  120 - HN    LYS+  65  13.76 +/- 1.79   1.525% *  1.0142% (0.65   0.02   0.02) =   0.036%
          HG    LEU   40 - HN    LYS+  65  11.94 +/- 3.07   3.389% *  0.4408% (0.28   0.02   0.02) =   0.035%
          HB3   LEU  115 - HN    LYS+  65  12.27 +/- 1.16   2.053% *  0.4408% (0.28   0.02   0.02) =   0.021%
          QG2   THR   26 - HN    LYS+  65  14.17 +/- 1.90   1.313% *  0.2673% (0.17   0.02   0.02) =   0.008%
          HD2   LYS+ 121 - HN    LYS+  65  15.70 +/- 2.02   0.970% *  0.1654% (0.11   0.02   0.02) =   0.004%
    Distance limit 3.84 A violated in 0 structures by 0.05 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.276, support = 4.24, residual support = 109.8:
          HG3   LYS+  65 - HN    LYS+  65   3.41 +/- 0.73  48.929% * 43.3473% (0.17   5.24 159.52) =  68.186%  kept
          HB2   LEU   63 - HN    LYS+  65   4.95 +/- 0.25  19.094% * 51.0789% (0.50   2.12   3.40) =  31.354%  kept
          HB3   ASP-  44 - HN    LYS+  65   7.86 +/- 2.57  13.849% *  0.5542% (0.58   0.02   0.02) =   0.247%  kept
          HB3   PRO   93 - HN    LYS+  65  13.02 +/- 2.43   4.143% *  0.6576% (0.68   0.02   0.02) =   0.088%
          HB    VAL   42 - HN    LYS+  65   9.06 +/- 2.18   5.609% *  0.1654% (0.17   0.02   0.02) =   0.030%
          QB    ALA  124 - HN    LYS+  65  15.79 +/- 2.93   0.896% *  0.6276% (0.65   0.02   0.02) =   0.018%
          HG    LEU   98 - HN    LYS+  65  16.25 +/- 3.25   0.846% *  0.6576% (0.68   0.02   0.02) =   0.018%
          HB3   LEU   73 - HN    LYS+  65  10.86 +/- 1.18   2.214% *  0.2048% (0.21   0.02   0.02) =   0.015%
          QB    ALA   84 - HN    LYS+  65  16.83 +/- 1.99   0.556% *  0.6620% (0.69   0.02   0.02) =   0.012%
          HB3   LEU   80 - HN    LYS+  65  18.45 +/- 2.80   0.567% *  0.4024% (0.42   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - HN    LYS+  65  15.71 +/- 1.92   0.780% *  0.2728% (0.28   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HN    LYS+  65  17.65 +/- 3.11   0.583% *  0.3491% (0.36   0.02   0.02) =   0.007%
          HB2   LEU   31 - HN    LYS+  65  17.86 +/- 2.05   0.453% *  0.2975% (0.31   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HN    LYS+  65  19.26 +/- 2.67   0.372% *  0.2490% (0.26   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HN    LYS+  65  17.97 +/- 2.08   0.446% *  0.1313% (0.14   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LYS+  65  22.25 +/- 2.41   0.225% *  0.2263% (0.24   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    LYS+  65  18.28 +/- 2.78   0.436% *  0.1162% (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 = 4.87, residual support = 29.3:
          QB    ALA   64 - HN    LYS+  65   2.90 +/- 0.14 100.000% *100.0000% (0.65   4.87  29.27) = 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 = 0.744, residual support = 6.44:
          HA    ALA   61 - HN    ALA   64   3.75 +/- 0.53  71.564% * 95.1123% (0.95   0.75   6.49) =  99.202%  kept
          HD2   PRO   68 - HN    ALA   64   7.41 +/- 1.51  20.135% *  2.1470% (0.80   0.02   0.02) =   0.630%  kept
          HD3   PRO   58 - HN    ALA   64  10.40 +/- 0.98   4.370% *  1.7345% (0.65   0.02   0.02) =   0.110%  kept
          HA    VAL   75 - HN    ALA   64  10.60 +/- 1.07   3.932% *  1.0063% (0.38   0.02   0.02) =   0.058%
    Distance limit 4.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.21, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.78 +/- 0.07  82.722% * 99.0515% (0.95  10.0   4.22  20.65) =  99.869%  kept
          HB2   PHE   72 - HN    ALA   64   6.75 +/- 1.59  12.118% *  0.8742% (0.22   1.0   0.75  45.58) =   0.129%  kept
          QE    LYS+  66 - HN    ALA   64   7.97 +/- 1.24   4.902% *  0.0233% (0.22   1.0   0.02   9.08) =   0.001%
          HB3   ASN   35 - HN    ALA   64  19.71 +/- 1.83   0.258% *  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 = 0.874, support = 5.13, residual support = 27.6:
          QB    LYS+  65 - HN    ALA   64   4.43 +/- 0.20  54.302% * 83.6743% (0.92   5.36  29.27) =  91.600%  kept
          QB    LYS+  66 - HN    ALA   64   5.64 +/- 0.42  27.451% * 15.0424% (0.34   2.61   9.08) =   8.325%  kept
          HB2   LEU   71 - HN    ALA   64  10.54 +/- 0.77   4.294% *  0.3200% (0.95   0.02   0.02) =   0.028%
          HB3   GLN   17 - HN    ALA   64  12.98 +/- 4.72   4.109% *  0.2825% (0.84   0.02   0.84) =   0.023%
          HG2   PRO   93 - HN    ALA   64  13.94 +/- 2.32   2.514% *  0.2052% (0.61   0.02   0.02) =   0.010%
          HB    VAL   41 - HN    ALA   64  11.30 +/- 1.62   4.069% *  0.0669% (0.20   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    ALA   64  18.01 +/- 2.20   0.898% *  0.2825% (0.84   0.02   0.02) =   0.005%
          HB2   LYS+  99 - HN    ALA   64  15.48 +/- 2.61   1.758% *  0.0669% (0.20   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    ALA   64  20.27 +/- 1.54   0.605% *  0.0592% (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 = 0.706, support = 7.42, residual support = 53.8:
          HB2   LEU   63 - HN    ALA   64   3.17 +/- 0.53  54.065% * 82.5844% (0.73   7.57  54.89) =  95.764%  kept
          HG3   LYS+  65 - HN    ALA   64   5.65 +/- 1.02  12.867% * 14.8928% (0.25   3.98  29.27) =   4.110%  kept
          HB3   ASP-  44 - HN    ALA   64   6.70 +/- 2.27  11.945% *  0.2508% (0.84   0.02   0.02) =   0.064%
          HB3   PRO   93 - HN    ALA   64  12.04 +/- 2.09   2.439% *  0.2976% (0.99   0.02   0.02) =   0.016%
          HB    VAL   42 - HN    ALA   64   7.27 +/- 1.97   9.072% *  0.0749% (0.25   0.02   0.02) =   0.015%
          HG    LEU   98 - HN    ALA   64  14.57 +/- 2.95   1.117% *  0.2976% (0.99   0.02   0.02) =   0.007%
          HB3   LEU   73 - HN    ALA   64  10.06 +/- 1.17   2.549% *  0.0927% (0.31   0.02   4.28) =   0.005%
          QB    ALA  124 - HN    ALA   64  15.13 +/- 2.32   0.746% *  0.2841% (0.95   0.02   0.02) =   0.005%
          QB    ALA   84 - HN    ALA   64  16.32 +/- 1.11   0.481% *  0.2996% (1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - HN    ALA   64  16.38 +/- 2.27   0.880% *  0.1346% (0.45   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    ALA   64  14.72 +/- 2.06   0.879% *  0.1235% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ALA   64  15.90 +/- 2.80   0.605% *  0.1580% (0.53   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    ALA   64  17.93 +/- 2.79   0.435% *  0.1821% (0.61   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    ALA   64  18.22 +/- 2.38   0.384% *  0.1127% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   64  16.89 +/- 2.04   0.670% *  0.0594% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  16.69 +/- 2.64   0.607% *  0.0526% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   64  20.56 +/- 2.16   0.260% *  0.1024% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.76, residual support = 54.8:
          HG    LEU   63 - HN    ALA   64   4.06 +/- 1.13  66.871% * 98.5864% (0.53   6.76  54.89) =  99.913%  kept
          QD1   ILE  119 - HN    ALA   64   7.48 +/- 1.73  23.010% *  0.1097% (0.20   0.02   0.02) =   0.038%
          HG3   LYS+ 112 - HN    ALA   64  13.96 +/- 2.03   2.061% *  0.5115% (0.92   0.02   0.02) =   0.016%
          QG2   VAL  108 - HN    ALA   64  14.63 +/- 2.20   2.976% *  0.3361% (0.61   0.02   0.02) =   0.015%
          HB2   LEU  104 - HN    ALA   64  14.67 +/- 2.63   2.773% *  0.2484% (0.45   0.02   0.02) =   0.010%
          QG2   VAL   24 - HN    ALA   64  14.80 +/- 2.92   2.308% *  0.2080% (0.38   0.02   0.02) =   0.007%
    Distance limit 4.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.75, residual support = 54.8:
          HB3   LEU   63 - HN    ALA   64   3.37 +/- 0.67  52.814% * 99.3351% (0.97   6.76  54.89) =  99.885%  kept
          QG1   VAL   70 - HN    ALA   64   5.46 +/- 1.47  27.562% *  0.1252% (0.41   0.02   0.02) =   0.066%
          QG1   VAL   18 - HN    ALA   64   8.07 +/- 4.54  12.525% *  0.1602% (0.53   0.02   8.24) =   0.038%
          QD1   LEU  123 - HN    ALA   64  10.23 +/- 2.05   4.050% *  0.0678% (0.22   0.02   0.02) =   0.005%
          QD1   LEU   71 - HN    ALA   64  10.01 +/- 0.87   2.514% *  0.0678% (0.22   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    ALA   64  15.90 +/- 1.78   0.535% *  0.2439% (0.80   0.02   0.02) =   0.002%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.84, support = 6.17, residual support = 54.9:
          QD2   LEU   63 - HN    ALA   64   3.60 +/- 0.96  43.777% * 60.5275% (1.00   5.87  54.89) =  63.193%  kept
          QD1   LEU   63 - HN    ALA   64   3.90 +/- 0.95  39.571% * 38.9640% (0.57   6.68  54.89) =  36.771%  kept
          QG2   VAL   41 - HN    ALA   64   9.73 +/- 1.36   4.182% *  0.1250% (0.61   0.02   0.02) =   0.012%
          QD1   LEU   73 - HN    ALA   64   9.25 +/- 1.46   3.991% *  0.1167% (0.57   0.02   4.28) =   0.011%
          QD2   LEU  115 - HN    ALA   64   9.02 +/- 0.85   4.190% *  0.0514% (0.25   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ALA   64  12.05 +/- 2.45   2.132% *  0.0847% (0.41   0.02   0.02) =   0.004%
          QD1   LEU   80 - HN    ALA   64  15.47 +/- 2.91   1.093% *  0.0847% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    ALA   64  14.76 +/- 2.18   1.066% *  0.0459% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.6:
      O   QB    ALA   64 - HN    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.65) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.4:
      O   HA    ASP-  62 - HN    LEU   63   3.57 +/- 0.05  96.279% * 99.8321% (0.97  10.0   5.24  42.35) =  99.998%  kept
          HB    THR   26 - HN    LEU   63  18.96 +/- 2.95   1.227% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER  117 - HN    LEU   63  13.44 +/- 1.66   2.164% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  24.02 +/- 1.77   0.329% *  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 = 0.682, support = 1.46, residual support = 9.7:
          HA    PHE   60 - HN    LEU   63   3.72 +/- 0.52  73.526% * 80.5639% (0.69   1.50  10.04) =  96.607%  kept
          QB    SER   48 - HN    LEU   63  14.96 +/- 4.76  14.111% * 13.7772% (0.57   0.31   0.02) =   3.171%  kept
          QB    SER  117 - HN    LEU   63  12.65 +/- 1.09   2.435% *  1.5500% (0.99   0.02   0.02) =   0.062%
          HA2   GLY   51 - HN    LEU   63  15.05 +/- 3.11   2.836% *  1.3062% (0.84   0.02   0.02) =   0.060%
          HB    THR   94 - HN    LEU   63  13.41 +/- 2.53   2.282% *  1.0742% (0.69   0.02   0.02) =   0.040%
          HA    LYS+ 121 - HN    LEU   63  14.36 +/- 1.81   1.721% *  1.1951% (0.76   0.02   0.02) =   0.034%
          HA    ALA  120 - HN    LEU   63  12.36 +/- 2.18   3.089% *  0.5334% (0.34   0.02   0.02) =   0.027%
    Distance limit 4.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 241.5:
      O   HA    LEU   63 - HN    LEU   63   2.78 +/- 0.07  97.630% * 99.8508% (0.76  10.0   7.54 241.45) =  99.999%  kept
          HB2   HIS   22 - HN    LEU   63  18.16 +/- 4.58   2.148% *  0.0446% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY  101 - HN    LEU   63  22.00 +/- 2.79   0.221% *  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   3.30 +/- 0.47  96.680% * 99.7489% (0.98   5.24  42.35) =  99.996%  kept
          HB2   PRO   52 - HN    LEU   63  14.45 +/- 2.17   1.737% *  0.1742% (0.45   0.02   0.02) =   0.003%
          QB    ASP- 113 - HN    LEU   63  14.01 +/- 1.43   1.583% *  0.0769% (0.20   0.02   0.02) =   0.001%
    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 = 42.3:
          HB3   ASP-  62 - HN    LEU   63   3.31 +/- 0.58  96.831% * 98.9508% (0.95   5.24  42.35) =  99.990%  kept
          HG3   MET   96 - HN    LEU   63  14.60 +/- 2.13   1.732% *  0.3688% (0.92   0.02   0.36) =   0.007%
          HG2   GLU-  29 - HN    LEU   63  22.17 +/- 3.05   0.659% *  0.1642% (0.41   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    LEU   63  23.82 +/- 2.29   0.355% *  0.2901% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    LEU   63  22.41 +/- 2.72   0.422% *  0.2262% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 8.08, residual support = 241.4:
      O   HB2   LEU   63 - HN    LEU   63   2.15 +/- 0.18  84.635% * 98.8228% (0.73  10.0   8.08 241.45) =  99.987%  kept
          HB3   ASP-  44 - HN    LEU   63   7.54 +/- 2.66   3.851% *  0.1137% (0.84   1.0   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LEU   63  11.28 +/- 2.48   1.623% *  0.1349% (0.99   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   63   6.15 +/- 0.97   4.534% *  0.0339% (0.25   1.0   0.02   3.40) =   0.002%
          HB    VAL   42 - HN    LEU   63   8.85 +/- 2.04   1.674% *  0.0339% (0.25   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   63  14.34 +/- 2.04   0.395% *  0.1287% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   63  16.01 +/- 3.20   0.311% *  0.1349% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   63  12.22 +/- 1.79   0.823% *  0.0420% (0.31   1.0   0.02   0.14) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  12.90 +/- 1.36   0.471% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  16.95 +/- 1.29   0.185% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  16.32 +/- 3.10   0.244% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  18.26 +/- 2.64   0.275% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.64 +/- 2.27   0.296% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  19.32 +/- 3.09   0.159% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  19.06 +/- 2.38   0.235% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.02 +/- 3.05   0.196% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.82 +/- 2.46   0.091% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.59, residual support = 241.4:
          HG    LEU   63 - HN    LEU   63   3.50 +/- 0.59  88.828% * 99.5055% (1.00   7.59 241.45) =  99.982%  kept
          QG2   VAL   24 - HN    LEU   63  16.19 +/- 3.27   2.808% *  0.2576% (0.98   0.02   0.02) =   0.008%
          HG3   LYS+ 112 - HN    LEU   63  12.18 +/- 1.58   3.197% *  0.1908% (0.73   0.02   0.02) =   0.007%
          QG1   VAL  107 - HN    LEU   63  10.24 +/- 1.73   5.167% *  0.0460% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.36 A violated in 0 structures by 0.31 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.6, residual support = 241.4:
      O   HB3   LEU   63 - HN    LEU   63   3.24 +/- 0.30  71.101% * 99.7743% (0.97  10.0   7.60 241.45) =  99.984%  kept
          QG1   VAL   70 - HN    LEU   63   6.78 +/- 1.47  13.589% *  0.0425% (0.41   1.0   0.02   0.02) =   0.008%
          QG1   VAL   18 - HN    LEU   63   9.67 +/- 3.59   5.846% *  0.0544% (0.53   1.0   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    LEU   63   8.92 +/- 1.90   6.882% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   63  15.51 +/- 1.99   0.787% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LEU   63  11.73 +/- 1.20   1.795% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.94, residual support = 240.2:
          QD1   LEU   63 - HN    LEU   63   3.59 +/- 0.64  44.977% * 45.9446% (0.90   6.46 241.45) =  51.990%  kept
          QD2   LEU   63 - HN    LEU   63   3.88 +/- 0.56  37.830% * 49.8995% (0.84   7.54 241.45) =  47.493%  kept
          QD1   LEU   73 - HN    LEU   63  10.92 +/- 2.16   5.132% *  3.8408% (0.90   0.54   0.14) =   0.496%  kept
          QD2   LEU  115 - HN    LEU   63   7.60 +/- 0.95   6.636% *  0.0897% (0.57   0.02   0.02) =   0.015%
          QG2   VAL   41 - HN    LEU   63  11.47 +/- 1.42   1.728% *  0.0441% (0.28   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   63  13.73 +/- 2.91   1.169% *  0.0489% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   63  16.13 +/- 2.27   0.642% *  0.0834% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    LEU   63  13.40 +/- 2.54   1.240% *  0.0245% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  16.77 +/- 2.93   0.645% *  0.0245% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.83, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.50 +/- 0.43  98.278% * 99.9341% (0.84  10.0   3.83  41.00) =  99.999%  kept
          HB2   PRO   52 - HN    ASP-  62  13.71 +/- 1.81   0.891% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  13.77 +/- 1.69   0.831% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.02 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   2.75 +/- 0.53  97.679% * 99.7231% (0.82  10.0   3.83  41.00) =  99.998%  kept
          HG3   MET   96 - HN    ASP-  62  15.34 +/- 2.89   1.516% *  0.0973% (0.80   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  36 - HN    ASP-  62  25.23 +/- 2.80   0.229% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  23.35 +/- 2.95   0.335% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  22.77 +/- 2.30   0.241% *  0.0597% (0.49   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 = 0.342, support = 0.797, residual support = 0.737:
          QB    LYS+  66 - HN    ASP-  62   6.97 +/- 1.45  31.311% * 69.7317% (0.32   0.86   0.79) =  92.763%  kept
          HG    LEU  123 - HN    ASP-  62  12.45 +/- 2.03   8.479% *  4.0993% (0.82   0.02   0.02) =   1.477%  kept
          HG2   ARG+  54 - HN    ASP-  62  11.18 +/- 2.49  13.952% *  2.4534% (0.49   0.02   0.02) =   1.454%  kept
          HG3   PRO   68 - HN    ASP-  62  11.71 +/- 1.84   8.448% *  2.8034% (0.56   0.02   0.02) =   1.006%  kept
          HB3   PRO   52 - HN    ASP-  62  14.07 +/- 1.69   4.729% *  4.0993% (0.82   0.02   0.02) =   0.824%  kept
          HB3   ASP- 105 - HN    ASP-  62  15.18 +/- 3.65   6.354% *  2.2800% (0.45   0.02   0.02) =   0.615%  kept
          HB    VAL   41 - HN    ASP-  62  14.40 +/- 1.94   4.598% *  2.4534% (0.49   0.02   0.02) =   0.479%  kept
          HG12  ILE  103 - HN    ASP-  62  18.43 +/- 3.03   2.531% *  3.1468% (0.63   0.02   0.02) =   0.338%  kept
          HG2   PRO   93 - HN    ASP-  62  12.55 +/- 2.24   7.509% *  0.7589% (0.15   0.02   0.02) =   0.242%  kept
          QB    LYS+  33 - HN    ASP-  62  19.25 +/- 2.37   2.994% *  1.7816% (0.35   0.02   0.02) =   0.227%  kept
          HB    ILE  103 - HN    ASP-  62  19.81 +/- 3.16   1.983% *  2.6284% (0.52   0.02   0.02) =   0.221%  kept
          QB    LYS+ 106 - HN    ASP-  62  15.07 +/- 2.88   4.581% *  1.0806% (0.21   0.02   0.02) =   0.210%  kept
          QB    LYS+  81 - HN    ASP-  62  20.16 +/- 1.75   1.405% *  1.2049% (0.24   0.02   0.02) =   0.072%
          HB3   GLN   90 - HN    ASP-  62  21.37 +/- 2.28   1.126% *  1.4782% (0.29   0.02   0.02) =   0.071%
    Distance limit 4.41 A violated in 13 structures by 1.82 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.791, support = 2.75, residual support = 8.07:
          QB    ALA   61 - HN    ASP-  62   2.71 +/- 0.22  78.248% * 77.4193% (0.80   2.79   8.20) =  98.175%  kept
          QG    LYS+  66 - HN    ASP-  62   7.37 +/- 1.52   7.238% * 13.6829% (0.52   0.75   0.79) =   1.605%  kept
          HB3   LEU   67 - HN    ASP-  62   9.96 +/- 1.33   1.785% *  5.4942% (0.69   0.23   0.02) =   0.159%  kept
          HG    LEU   73 - HN    ASP-  62  12.68 +/- 3.12   6.637% *  0.2473% (0.35   0.02   0.02) =   0.027%
          HB3   LYS+  74 - HN    ASP-  62  11.27 +/- 2.64   2.504% *  0.2928% (0.42   0.02   0.02) =   0.012%
          QB    ALA  110 - HN    ASP-  62  13.59 +/- 2.00   0.763% *  0.6016% (0.86   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ASP-  62  15.07 +/- 1.50   0.538% *  0.5963% (0.85   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    ASP-  62  15.01 +/- 1.64   0.563% *  0.3165% (0.45   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ASP-  62  19.93 +/- 3.49   0.270% *  0.6002% (0.86   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  15.23 +/- 3.11   0.962% *  0.1500% (0.21   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ASP-  62  19.14 +/- 2.96   0.275% *  0.4132% (0.59   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  23.10 +/- 3.70   0.217% *  0.1857% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.831, support = 2.42, residual support = 4.86:
          QB    LYS+  65 - HN    LEU   63   4.59 +/- 0.36  49.259% * 48.7237% (0.76   2.66   3.40) =  62.412%  kept
          QB    LYS+  66 - HN    LEU   63   5.57 +/- 0.95  31.030% * 46.1656% (0.95   2.03   7.35) =  37.252%  kept
          HB2   LEU   71 - HN    LEU   63  12.78 +/- 1.13   2.571% *  3.0563% (0.73   0.18   0.02) =   0.204%  kept
          HG2   PRO   93 - HN    LEU   63  12.99 +/- 2.69   4.446% *  0.4758% (0.99   0.02   0.02) =   0.055%
          HB    VAL   41 - HN    LEU   63  13.20 +/- 1.59   2.379% *  0.3844% (0.80   0.02   0.02) =   0.024%
          HG    LEU  123 - HN    LEU   63  12.06 +/- 2.25   3.869% *  0.1802% (0.38   0.02   0.02) =   0.018%
          HB3   PRO   52 - HN    LEU   63  14.87 +/- 2.04   2.305% *  0.1802% (0.38   0.02   0.02) =   0.011%
          HG12  ILE  103 - HN    LEU   63  17.53 +/- 2.42   1.121% *  0.3106% (0.65   0.02   0.02) =   0.009%
          QB    LYS+ 102 - HN    LEU   63  19.13 +/- 2.46   0.812% *  0.4164% (0.87   0.02   0.02) =   0.009%
          HB3   GLN   17 - HN    LEU   63  14.75 +/- 4.06   2.207% *  0.1069% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.01, residual support = 41.4:
      O   HA    PHE   60 - HN    ALA   61   3.60 +/- 0.05  77.975% * 99.3945% (0.69  10.0   5.01  41.41) =  99.974%  kept
          QB    SER   48 - HN    ALA   61  13.80 +/- 3.96  13.235% *  0.0819% (0.57   1.0   0.02   0.02) =   0.014%
          QB    SER  117 - HN    ALA   61  12.93 +/- 1.14   1.816% *  0.1434% (0.99   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ALA   61  12.78 +/- 1.76   2.141% *  0.0994% (0.69   1.0   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    ALA   61  13.27 +/- 1.22   1.696% *  0.1209% (0.84   1.0   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    ALA   61  15.28 +/- 1.66   1.199% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.30 +/- 1.63   1.938% *  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   2.81 +/- 0.08  87.429% * 94.4178% (0.95  10.0   2.75  17.89) =  99.355%  kept
          HD3   PRO   58 - HN    ALA   61   6.14 +/- 0.78   9.772% *  5.4648% (0.65   1.0   1.69   0.89) =   0.643%  kept
          HD2   PRO   68 - HN    ALA   61  11.60 +/- 1.28   1.415% *  0.0799% (0.80   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA   61  12.25 +/- 2.32   1.383% *  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 = 4.85, residual support = 41.2:
          HB2   PHE   60 - HN    ALA   61   3.37 +/- 0.47  88.177% * 96.3639% (0.84   4.87  41.41) =  99.571%  kept
          HB    THR   46 - HN    ALA   61   9.40 +/- 3.29  11.344% *  3.2107% (0.20   0.68   0.17) =   0.427%  kept
          HB2   TRP   87 - HN    ALA   61  20.20 +/- 1.96   0.478% *  0.4253% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.01, residual support = 41.4:
          HB3   PHE   60 - HN    ALA   61   3.11 +/- 0.75  91.625% * 99.1936% (0.98   5.01  41.41) =  99.983%  kept
          HB2   PHE   97 - HN    ALA   61  13.86 +/- 3.64   3.764% *  0.1662% (0.41   0.02   0.02) =   0.007%
          HB3   TRP   27 - HN    ALA   61  15.62 +/- 2.87   2.978% *  0.1517% (0.38   0.02   0.02) =   0.005%
          QE    LYS+ 106 - HN    ALA   61  16.31 +/- 2.54   1.096% *  0.3506% (0.87   0.02   0.02) =   0.004%
          HB2   ASN   35 - HN    ALA   61  22.94 +/- 3.23   0.537% *  0.1379% (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   2.09 +/- 0.08  90.621% * 99.0576% (0.73  10.0   4.00  17.89) =  99.989%  kept
          HG    LEU   73 - HN    ALA   61  12.22 +/- 3.38   2.445% *  0.1352% (0.99   1.0   0.02   0.02) =   0.004%
          QG    LYS+  66 - HN    ALA   61   9.08 +/- 1.31   1.478% *  0.1337% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    ALA   61   9.17 +/- 1.10   1.342% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   61  13.25 +/- 4.13   1.314% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA   61  10.75 +/- 1.51   0.828% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  10.88 +/- 1.76   0.882% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   61  13.14 +/- 2.28   0.518% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  15.17 +/- 1.76   0.285% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  22.44 +/- 3.51   0.109% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  19.13 +/- 3.96   0.177% *  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 = 39.7:
          HD3   PRO   58 - HN    PHE   59   2.83 +/- 0.67  89.821% * 95.3101% (0.76   6.10  39.88) =  99.580%  kept
          HA    ALA   61 - HN    PHE   59   7.19 +/- 0.41   8.278% *  4.3189% (0.26   0.79   0.74) =   0.416%  kept
          HA    VAL   75 - HN    PHE   59  15.35 +/- 2.01   0.884% *  0.3079% (0.74   0.02   0.02) =   0.003%
          HD2   PRO   68 - HN    PHE   59  13.79 +/- 1.82   1.017% *  0.0631% (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 = 58.3:
      O   HB2   PHE   59 - HN    PHE   59   2.42 +/- 0.45  89.424% * 99.5977% (0.76  10.0   4.36  58.35) =  99.991%  kept
          QB    PHE   55 - HN    PHE   59   7.81 +/- 0.63   3.451% *  0.0951% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   CYS   53 - HN    PHE   59   9.23 +/- 1.57   3.735% *  0.0690% (0.53   1.0   0.02   0.02) =   0.003%
          HD3   PRO   93 - HN    PHE   59  12.58 +/- 2.58   1.157% *  0.0872% (0.67   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HN    PHE   59  10.77 +/- 1.39   1.496% *  0.0609% (0.47   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   59  13.93 +/- 1.89   0.737% *  0.0901% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.97, residual support = 58.4:
      O   HB3   PHE   59 - HN    PHE   59   2.45 +/- 0.40  97.204% * 99.9594% (0.67  10.0   4.97  58.35) =  99.999%  kept
          HB2   PHE   95 - HN    PHE   59  10.04 +/- 2.18   2.461% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.58 +/- 1.82   0.335% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.195, support = 6.54, residual support = 39.7:
      O   HB2   PRO   58 - HN    PHE   59   3.40 +/- 0.65  74.857% * 97.0660% (0.19  10.0   6.58  39.88) =  99.451%  kept
          HB2   GLN  116 - HN    PHE   59   7.68 +/- 2.01  21.689% *  1.8060% (0.64   1.0   0.11   0.44) =   0.536%  kept
          HB3   PHE   97 - HN    PHE   59  13.92 +/- 3.68   2.227% *  0.2674% (0.53   1.0   0.02   0.02) =   0.008%
          QG    GLU-  79 - HN    PHE   59  19.11 +/- 2.66   0.553% *  0.3117% (0.62   1.0   0.02   0.02) =   0.002%
          HB2   GLU- 100 - HN    PHE   59  23.59 +/- 3.58   0.300% *  0.3593% (0.71   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    PHE   59  23.45 +/- 3.31   0.374% *  0.1895% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.42 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 = 39.9:
          HG2   PRO   58 - HN    PHE   59   2.73 +/- 0.36  92.490% * 98.7270% (0.76   6.29  39.88) =  99.989%  kept
          HB2   PRO   93 - HN    PHE   59   9.98 +/- 2.23   2.782% *  0.1316% (0.32   0.02   0.02) =   0.004%
          HG3   PRO   52 - HN    PHE   59  13.33 +/- 1.24   1.018% *  0.3137% (0.76   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    PHE   59  10.11 +/- 0.94   2.380% *  0.0560% (0.14   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    PHE   59  23.73 +/- 3.46   0.215% *  0.3193% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  16.54 +/- 1.52   0.472% *  0.0890% (0.21   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  31.06 +/- 4.08   0.093% *  0.3200% (0.77   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  15.73 +/- 1.94   0.550% *  0.0433% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.684, support = 6.21, residual support = 39.5:
      O   HB3   PRO   58 - HN    PHE   59   3.89 +/- 0.29  52.887% * 97.6194% (0.69  10.0   6.29  39.88) =  98.309%  kept
          HB    ILE   56 - HN    PHE   59   4.68 +/- 1.49  43.521% *  2.0356% (0.19   1.0   1.50  20.23) =   1.687%  kept
          HB2   MET   92 - HN    PHE   59  15.38 +/- 2.19   1.160% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    PHE   59  19.46 +/- 3.55   0.633% *  0.0616% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    PHE   59  14.32 +/- 1.78   1.167% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   59  23.94 +/- 3.56   0.251% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  23.39 +/- 2.77   0.257% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  31.09 +/- 4.84   0.123% *  0.0790% (0.56   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 = 20.2:
          QG1   ILE   56 - HN    PHE   59   3.28 +/- 0.92  83.337% * 97.7305% (0.67   4.26  20.23) =  99.949%  kept
          HB2   LEU   73 - HN    PHE   59  15.63 +/- 4.02   5.251% *  0.3207% (0.47   0.02   0.02) =   0.021%
          HD2   LYS+ 111 - HN    PHE   59  13.61 +/- 2.84   2.833% *  0.1804% (0.26   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HN    PHE   59  15.43 +/- 2.45   1.115% *  0.4234% (0.62   0.02   0.02) =   0.006%
          QD    LYS+  99 - HN    PHE   59  17.27 +/- 3.75   0.904% *  0.4417% (0.64   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    PHE   59  14.42 +/- 1.98   1.680% *  0.2371% (0.35   0.02   0.02) =   0.005%
          HB2   LEU  123 - HN    PHE   59  11.94 +/- 1.76   3.547% *  0.0816% (0.12   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    PHE   59  19.18 +/- 3.93   0.632% *  0.4041% (0.59   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    PHE   59  18.91 +/- 2.18   0.701% *  0.1804% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.47 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 = 0.49, support = 0.02, residual support = 0.844:
          HA    ALA   61 - HN    ALA   57   8.07 +/- 0.78  76.185% * 14.7090% (0.34   0.02   1.35) =  62.089%  kept
          HA    VAL   24 - HN    ALA   57  21.00 +/- 3.68   7.924% * 41.6148% (0.97   0.02   0.02) =  18.271%  kept
          HD2   PRO   68 - HN    ALA   57  15.79 +/- 1.81  12.330% * 22.6869% (0.53   0.02   0.02) =  15.499%  kept
          HA    LYS+  38 - HN    ALA   57  24.89 +/- 3.24   3.561% * 20.9893% (0.49   0.02   0.02) =   4.141%  kept
    Distance limit 3.62 A violated in 20 structures by 4.40 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.402, support = 0.214, residual support = 0.02:
          HD2   ARG+  54 - HN    ALA   57   7.57 +/- 1.67  38.689% * 87.0094% (0.41   0.23   0.02) =  91.116%  kept
          HB3   CYS   53 - HN    ALA   57   7.01 +/- 1.58  41.894% *  6.2050% (0.34   0.02   0.02) =   7.036%  kept
          HD3   PRO   93 - HN    ALA   57  11.00 +/- 3.41  15.457% *  3.5999% (0.20   0.02   0.02) =   1.506%  kept
          HD3   PRO   68 - HN    ALA   57  15.87 +/- 1.89   3.960% *  3.1857% (0.18   0.02   0.02) =   0.341%  kept
    Distance limit 4.61 A violated in 8 structures by 1.34 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.609, support = 4.7, residual support = 28.1:
          HB3   PRO   58 - HN    ALA   57   5.81 +/- 0.66  28.802% * 73.0113% (0.90   4.20  25.12) =  55.572%  kept
          HB    ILE   56 - HN    ALA   57   3.97 +/- 0.87  65.209% * 25.7612% (0.25   5.33  31.76) =  44.393%  kept
          HB2   MET   92 - HN    ALA   57  14.11 +/- 3.13   2.581% *  0.2812% (0.73   0.02   0.02) =   0.019%
          HB3   GLN   30 - HN    ALA   57  20.88 +/- 3.75   1.309% *  0.2193% (0.57   0.02   0.02) =   0.008%
          HB3   MET   96 - HN    ALA   57  15.49 +/- 1.43   1.242% *  0.0966% (0.25   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    ALA   57  25.49 +/- 3.87   0.356% *  0.2038% (0.53   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    ALA   57  32.44 +/- 4.99   0.188% *  0.2812% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ALA   57  25.77 +/- 3.24   0.312% *  0.1454% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.05 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   2.71 +/- 0.47  91.845% * 99.4737% (0.92  10.0   4.84  24.10) =  99.993%  kept
          HD2   LYS+  74 - HN    ALA   57  13.87 +/- 3.56   1.386% *  0.1068% (0.99   1.0   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HN    ALA   57  14.30 +/- 3.45   1.446% *  0.0966% (0.90   1.0   0.02   0.02) =   0.002%
          QD    LYS+  65 - HN    ALA   57  11.21 +/- 1.32   2.004% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          QD    LYS+  33 - HN    ALA   57  22.58 +/- 3.85   1.129% *  0.0697% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ALA   57  15.69 +/- 2.72   0.771% *  0.0697% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  14.61 +/- 1.68   0.856% *  0.0567% (0.53   1.0   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    ALA   57  20.44 +/- 3.18   0.316% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  24.24 +/- 3.50   0.247% *  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 = 5.28, residual support = 31.8:
          QG2   ILE   56 - HN    ALA   57   3.47 +/- 0.69  85.750% * 97.4611% (0.87   5.29  31.76) =  99.955%  kept
          QB    ALA   91 - HN    ALA   57  13.07 +/- 2.95   3.023% *  0.4103% (0.97   0.02   0.02) =   0.015%
          HG2   LYS+  74 - HN    ALA   57  13.53 +/- 3.87   5.639% *  0.1906% (0.45   0.02   0.02) =   0.013%
          HG13  ILE   19 - HN    ALA   57  19.63 +/- 3.23   1.231% *  0.2920% (0.69   0.02   0.02) =   0.004%
          QB    ALA   34 - HN    ALA   57  18.35 +/- 2.51   0.961% *  0.2920% (0.69   0.02   0.02) =   0.003%
          QG2   THR   39 - HN    ALA   57  18.84 +/- 1.45   0.645% *  0.4103% (0.97   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    ALA   57  19.35 +/- 3.75   1.121% *  0.1450% (0.34   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ALA   57  26.37 +/- 3.64   0.336% *  0.4167% (0.98   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    ALA   57  19.46 +/- 2.50   0.736% *  0.1748% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ALA   57  22.40 +/- 3.78   0.560% *  0.2070% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.61, residual support = 59.1:
      O   HB2   ASN   69 - HD21  ASN   69   3.10 +/- 0.50  89.085% * 99.6854% (0.36  10.0   3.61  59.08) =  99.986%  kept
          QE    LYS+  66 - HD21  ASN   69   9.57 +/- 2.71   8.287% *  0.1287% (0.47   1.0   0.02   0.02) =   0.012%
          HB3   ASN   35 - HD21  ASN   69  16.70 +/- 4.30   1.924% *  0.0811% (0.30   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HD21  ASN   69  20.43 +/- 2.70   0.414% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  23.92 +/- 3.25   0.290% *  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 = 0.306, support = 3.8, residual support = 22.3:
          QG1   VAL   70 - HD21  ASN   69   4.53 +/- 1.12  47.340% * 79.9033% (0.32   4.11  24.71) =  90.117%  kept
          QD1   LEU   71 - HD21  ASN   69   7.00 +/- 2.34  27.642% * 12.1509% (0.19   1.04   0.02) =   8.002%  kept
          QD1   LEU  123 - HD21  ASN   69  12.50 +/- 4.79  11.092% *  6.3435% (0.19   0.54   0.02) =   1.676%  kept
          HB3   LEU   63 - HD21  ASN   69  10.49 +/- 2.96   9.606% *  0.6866% (0.56   0.02   0.02) =   0.157%  kept
          QG1   VAL   18 - HD21  ASN   69  12.51 +/- 4.72   3.618% *  0.4716% (0.39   0.02   0.02) =   0.041%
          QG1   VAL  108 - HD21  ASN   69  20.79 +/- 2.87   0.702% *  0.4442% (0.36   0.02   0.02) =   0.007%
    Distance limit 4.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.409, support = 0.02, residual support = 0.02:
          HA    LEU  123 - HD21  ASN   69  14.85 +/- 7.17  21.133% * 14.3693% (0.39   0.02   0.02) =  26.118%  kept
          HA    ASN   35 - HD21  ASN   69  14.49 +/- 4.27  13.748% * 17.4728% (0.47   0.02   0.02) =  20.661%  kept
          HA    LYS+  99 - HD21  ASN   69  13.52 +/- 4.52  11.857% * 19.7883% (0.53   0.02   0.02) =  20.181%  kept
          HA    PHE   59 - HD21  ASN   69  14.79 +/- 2.34  14.666% *  8.6000% (0.23   0.02   0.02) =  10.848%  kept
          HA    ILE   56 - HD21  ASN   69  20.10 +/- 2.78   6.181% * 16.7505% (0.45   0.02   0.02) =   8.905%  kept
          HA    LEU   40 - HD21  ASN   69  10.23 +/- 3.92  28.801% *  2.8311% (0.08   0.02   0.02) =   7.013%  kept
          HA    ASP- 113 - HD21  ASN   69  21.61 +/- 3.08   3.613% * 20.1881% (0.54   0.02   0.02) =   6.274%  kept
    Distance limit 4.95 A violated in 13 structures by 2.98 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.961, support = 4.07, residual support = 20.5:
          QB    PHE   55 - HN    ILE   56   2.97 +/- 0.45  62.483% * 69.1258% (0.97   4.32  21.70) =  93.058%  kept
          HB3   CYS   53 - HN    ILE   56   5.45 +/- 0.62  14.342% * 12.0028% (0.97   0.75   0.02) =   3.709%  kept
          HD2   ARG+  54 - HN    ILE   56   6.55 +/- 0.80   8.693% *  8.6262% (0.92   0.56   0.02) =   1.616%  kept
          HB2   PHE   59 - HN    ILE   56   7.04 +/- 1.17   7.723% *  9.5049% (0.76   0.75  20.23) =   1.582%  kept
          HD3   PRO   93 - HN    ILE   56   8.99 +/- 3.29   4.430% *  0.3309% (1.00   0.02   0.02) =   0.032%
          HD3   PRO   68 - HN    ILE   56  17.66 +/- 2.43   0.512% *  0.3287% (0.99   0.02   0.02) =   0.004%
          HD3   PRO   93 - HZ2   TRP   87  15.39 +/- 2.50   0.599% *  0.0144% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.72 +/- 2.93   0.338% *  0.0139% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.72 +/- 3.75   0.279% *  0.0139% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  22.78 +/- 4.21   0.206% *  0.0143% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  20.45 +/- 3.72   0.245% *  0.0110% (0.03   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  23.81 +/- 2.98   0.149% *  0.0133% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.866, support = 5.94, residual support = 123.5:
      O   HB    ILE   56 - HN    ILE   56   3.36 +/- 0.39  53.248% * 94.5192% (0.87  10.0   5.97 124.21) =  99.445%  kept
          HB3   PRO   58 - HN    ILE   56   8.14 +/- 0.89   4.572% *  4.3626% (0.80   1.0   1.00   0.02) =   0.394%  kept
          HG2   ARG+  54 - HN    ILE   56   5.79 +/- 0.85  14.403% *  0.5377% (0.18   1.0   0.56   0.02) =   0.153%  kept
          HB2   MET   92 - HN    ILE   56  12.19 +/- 3.20   1.843% *  0.1031% (0.95   1.0   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    ILE   56  22.24 +/- 3.53   0.379% *  0.1087% (1.00   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ILE   56  15.37 +/- 1.38   0.618% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ILE   56  17.10 +/- 3.22   0.552% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  19.25 +/- 2.90   0.362% *  0.0448% (0.41   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  11.34 +/- 4.30   6.196% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  27.52 +/- 2.98   0.123% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  17.56 +/- 2.30   0.539% *  0.0216% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  13.52 +/- 3.20   1.866% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.36 +/- 3.31   0.255% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  18.21 +/- 8.46   1.618% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  18.87 +/- 3.25   0.466% *  0.0147% (0.14   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  12.86 +/- 6.79   7.187% *  0.0007% (0.01   1.0   0.02   4.66) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.92 +/- 1.28   0.215% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  12.17 +/- 0.92   1.307% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.63 +/- 4.01   0.395% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  23.49 +/- 6.57   0.310% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.20 +/- 4.94   0.071% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  16.38 +/- 5.71   1.267% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.62 +/- 0.67   0.712% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  20.11 +/- 7.22   0.751% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  24.20 +/- 3.37   0.183% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  24.43 +/- 4.59   0.284% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.80 +/- 3.25   0.203% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  34.48 +/- 6.16   0.076% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.11 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 124.1:
          QG1   ILE   56 - HN    ILE   56   3.76 +/- 0.63  56.741% * 97.4388% (0.87   5.27 124.21) =  99.901%  kept
          HD2   LYS+ 111 - HN    ILE   56  12.60 +/- 3.02   3.261% *  0.7810% (0.34   0.11   0.02) =   0.046%
          HB2   LEU   73 - HN    ILE   56  17.40 +/- 4.95   3.840% *  0.2587% (0.61   0.02   0.02) =   0.018%
          HB3   MET   92 - HN    ILE   56  11.42 +/- 2.95   4.275% *  0.1912% (0.45   0.02   0.02) =   0.015%
          QD    LYS+ 106 - HN    ILE   56  16.65 +/- 1.60   0.830% *  0.3415% (0.80   0.02   0.02) =   0.005%
          HB    ILE   89 - HN    ILE   56  16.35 +/- 2.96   1.269% *  0.1455% (0.34   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HZ2   TRP   87  11.11 +/- 4.96  11.887% *  0.0148% (0.03   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    ILE   56  20.84 +/- 3.08   0.483% *  0.3562% (0.84   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HN    ILE   56  22.88 +/- 2.83   0.328% *  0.3259% (0.76   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    ILE   56  16.72 +/- 3.06   1.030% *  0.0658% (0.15   0.02   0.02) =   0.001%
          HB3   MET   92 - HZ2   TRP   87  13.43 +/- 3.27   4.808% *  0.0083% (0.02   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   8.96 +/- 1.25   4.881% *  0.0063% (0.01   0.02  17.91) =   0.001%
          HB3   LYS+  99 - HZ2   TRP   87  18.31 +/- 6.80   1.458% *  0.0141% (0.03   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.94 +/- 3.58   1.124% *  0.0161% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  17.99 +/- 5.87   1.131% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  15.93 +/- 5.03   1.299% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  20.67 +/- 4.95   1.100% *  0.0063% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  26.31 +/- 5.62   0.253% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.10 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.635, support = 0.608, residual support = 0.776:
          HB3   LEU  115 - HN    ILE   56   8.68 +/- 1.07   8.730% * 54.6822% (0.92   0.65   0.02) =  51.460%  kept
          QB    ALA   61 - HN    ILE   56   7.90 +/- 1.21  12.653% * 22.2303% (0.38   0.65   2.20) =  30.323%  kept
          QB    ALA  110 - HN    ILE   56   9.40 +/- 3.37  14.009% *  9.5182% (0.20   0.53   0.67) =  14.375%  kept
          HG    LEU  115 - HN    ILE   56   8.07 +/- 1.60  12.292% *  0.6869% (0.38   0.02   0.02) =   0.910%  kept
          HG    LEU   73 - HN    ILE   56  17.41 +/- 5.06   3.776% *  1.6413% (0.90   0.02   0.02) =   0.668%  kept
          QG    LYS+  66 - HN    ILE   56  13.56 +/- 2.23   3.261% *  1.3290% (0.73   0.02   0.02) =   0.467%  kept
          HG    LEU   73 - HZ2   TRP   87  15.86 +/- 5.72   3.460% *  1.1814% (0.04   0.33   0.02) =   0.441%  kept
          HG    LEU   80 - HZ2   TRP   87   9.83 +/- 1.90   8.921% *  0.2836% (0.01   0.32   0.02) =   0.273%  kept
          HG    LEU   67 - HN    ILE   56  16.70 +/- 1.91   1.316% *  1.5287% (0.84   0.02   0.02) =   0.217%  kept
          QB    ALA  120 - HN    ILE   56  13.42 +/- 1.92   2.849% *  0.6869% (0.38   0.02   0.02) =   0.211%  kept
          HG    LEU   40 - HN    ILE   56  19.02 +/- 2.75   1.029% *  1.6895% (0.92   0.02   0.02) =   0.187%  kept
          HB3   LEU   67 - HN    ILE   56  16.82 +/- 1.59   1.219% *  0.9629% (0.53   0.02   0.02) =   0.127%  kept
          HG    LEU   40 - HZ2   TRP   87  17.98 +/- 6.01   2.353% *  0.3121% (0.04   0.09   0.02) =   0.079%
          HG2   LYS+ 102 - HN    ILE   56  26.24 +/- 2.23   0.326% *  1.7662% (0.97   0.02   0.02) =   0.062%
          HG12  ILE   19 - HN    ILE   56  21.06 +/- 3.62   1.433% *  0.2824% (0.15   0.02   0.02) =   0.044%
          HG2   LYS+ 102 - HZ2   TRP   87  17.02 +/- 7.75   5.040% *  0.0767% (0.04   0.02   0.02) =   0.042%
          HG    LEU   80 - HN    ILE   56  20.92 +/- 3.95   0.785% *  0.4075% (0.22   0.02   0.02) =   0.034%
          HB3   LEU   40 - HN    ILE   56  20.51 +/- 2.72   0.750% *  0.3622% (0.20   0.02   0.02) =   0.029%
          HB3   LEU  115 - HZ2   TRP   87  17.57 +/- 3.99   1.498% *  0.0733% (0.04   0.02   0.02) =   0.012%
          QB    ALA  110 - HZ2   TRP   87  14.99 +/- 4.19   5.651% *  0.0157% (0.01   0.02   0.02) =   0.010%
          HG    LEU   67 - HZ2   TRP   87  20.83 +/- 4.48   0.815% *  0.0663% (0.04   0.02   0.02) =   0.006%
          QG    LYS+  66 - HZ2   TRP   87  21.07 +/- 3.91   0.774% *  0.0577% (0.03   0.02   0.02) =   0.005%
          QB    ALA   61 - HZ2   TRP   87  17.11 +/- 2.63   1.392% *  0.0298% (0.02   0.02   0.02) =   0.004%
          HG    LEU  115 - HZ2   TRP   87  18.74 +/- 3.85   1.340% *  0.0298% (0.02   0.02   0.02) =   0.004%
          HB3   LEU   67 - HZ2   TRP   87  20.32 +/- 4.08   0.852% *  0.0418% (0.02   0.02   0.02) =   0.004%
          QB    ALA  120 - HZ2   TRP   87  21.00 +/- 4.38   0.822% *  0.0298% (0.02   0.02   0.02) =   0.003%
          HB3   LEU   40 - HZ2   TRP   87  19.14 +/- 6.05   1.500% *  0.0157% (0.01   0.02   0.02) =   0.003%
          HG12  ILE   19 - HZ2   TRP   87  22.19 +/- 7.71   1.155% *  0.0123% (0.01   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 9 structures by 1.30 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.71, residual support = 124.2:
          QG2   ILE   56 - HN    ILE   56   2.41 +/- 0.67  87.536% * 98.4675% (1.00   6.71 124.21) =  99.990%  kept
          QB    ALA   91 - HN    ILE   56  11.49 +/- 2.83   2.565% *  0.2131% (0.73   0.02   0.02) =   0.006%
          HG2   LYS+  74 - HN    ILE   56  14.36 +/- 3.68   1.413% *  0.0581% (0.20   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   56  19.62 +/- 2.27   0.228% *  0.2777% (0.95   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   56  20.28 +/- 1.66   0.212% *  0.2131% (0.73   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ILE   56  20.07 +/- 3.71   0.212% *  0.1899% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  15.79 +/- 6.40   2.045% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  28.10 +/- 3.28   0.080% *  0.2777% (0.95   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  21.35 +/- 3.27   0.187% *  0.1102% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  15.90 +/- 3.34   0.816% *  0.0127% (0.04   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.48 +/- 0.94   1.051% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.23 +/- 3.21   0.164% *  0.0514% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  23.78 +/- 3.22   0.127% *  0.0654% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  17.72 +/- 5.19   0.596% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  17.84 +/- 6.48   0.643% *  0.0082% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  23.98 +/- 6.49   0.223% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  22.93 +/- 7.59   0.419% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  16.74 +/- 3.60   0.650% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  19.73 +/- 6.94   0.423% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  20.60 +/- 5.83   0.409% *  0.0022% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.907, support = 5.53, residual support = 78.0:
          HB3   CYS   53 - HN    ARG+  54   3.90 +/- 0.35  29.165% * 35.3864% (0.94   5.34  31.61) =  44.671%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.65 +/- 0.69  19.095% * 45.3148% (0.95   6.78 168.40) =  37.454%  kept
          QB    PHE   55 - HN    ARG+  54   4.27 +/- 0.26  22.094% * 18.3847% (0.76   3.43   4.51) =  17.582%  kept
          HB2   PHE   59 - HN    ASP-  62   5.73 +/- 0.79  11.439% *  0.4937% (0.09   0.75   6.20) =   0.244%  kept
          HD3   PRO   93 - HN    ARG+  54   8.78 +/- 2.83   5.840% *  0.1199% (0.85   0.02   0.02) =   0.030%
          HB2   PHE   59 - HN    ARG+  54  10.41 +/- 1.34   1.718% *  0.0704% (0.50   0.02   0.02) =   0.005%
          HB3   CYS   53 - HN    ASP-  62  10.04 +/- 2.42   3.937% *  0.0248% (0.18   0.02   0.02) =   0.004%
          HD3   PRO   68 - HN    ARG+  54  19.00 +/- 4.09   0.621% *  0.1160% (0.82   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    ASP-  62  11.84 +/- 2.90   1.998% *  0.0250% (0.18   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ASP-  62  10.60 +/- 1.30   1.618% *  0.0217% (0.15   0.02   0.02) =   0.002%
          QB    PHE   55 - HN    ASP-  62  10.49 +/- 1.09   1.693% *  0.0200% (0.14   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    ASP-  62  14.09 +/- 2.11   0.780% *  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 = 6.56, residual support = 168.4:
      O   HB2   ARG+  54 - HN    ARG+  54   2.77 +/- 0.47  80.177% * 96.9633% (0.26  10.0   6.56 168.40) =  99.981%  kept
          HB2   LYS+ 111 - HN    ARG+  54  14.33 +/- 2.07   0.825% *  0.2793% (0.76   1.0   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    ARG+  54  21.02 +/- 4.29   0.527% *  0.3457% (0.94   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ARG+  54  14.87 +/- 2.17   0.894% *  0.1974% (0.54   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASP-  62   9.46 +/- 1.25   3.210% *  0.0369% (0.10   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ASP-  62  12.59 +/- 1.42   1.246% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  13.91 +/- 1.38   0.813% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  24.05 +/- 4.03   0.201% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  23.01 +/- 4.32   0.231% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASP-  62  11.37 +/- 2.54   2.663% *  0.0181% (0.05   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ARG+  54  17.71 +/- 2.41   0.395% *  0.1190% (0.32   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ARG+  54  23.40 +/- 3.43   0.207% *  0.1974% (0.54   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ARG+  54  25.15 +/- 3.86   0.160% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP-  62  15.54 +/- 4.00   0.815% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.74 +/- 1.74   0.612% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  20.66 +/- 4.63   0.676% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  17.65 +/- 2.84   0.431% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.68 +/- 3.24   0.129% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  17.68 +/- 3.12   0.454% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  29.68 +/- 3.40   0.086% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  17.10 +/- 2.48   0.503% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  21.83 +/- 3.30   0.274% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.98 +/- 1.37   1.143% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.23 +/- 1.89   1.749% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  22.67 +/- 4.02   0.227% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.55 +/- 2.29   0.425% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.85 +/- 2.00   0.733% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  22.93 +/- 2.86   0.196% *  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 = 0.906, support = 6.37, residual support = 160.1:
          HG2   ARG+  54 - HN    ARG+  54   3.41 +/- 0.43  53.147% * 81.7784% (0.94   6.54 168.40) =  95.009%  kept
          HB3   PRO   52 - HN    ARG+  54   5.26 +/- 0.23  15.504% * 13.3655% (0.29   3.43   1.93) =   4.530%  kept
          HB    ILE   56 - HN    ARG+  54   7.10 +/- 0.75   7.793% *  2.5060% (0.46   0.41   0.02) =   0.427%  kept
          HB3   GLN   90 - HN    ARG+  54  15.29 +/- 3.00   0.965% *  0.2434% (0.91   0.02   0.02) =   0.005%
          HG3   PRO   68 - HN    ARG+  54  20.25 +/- 4.65   0.807% *  0.2434% (0.91   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    ASP-  62  11.18 +/- 2.49   3.736% *  0.0468% (0.18   0.02   0.02) =   0.004%
          HG    LEU  123 - HN    ARG+  54  19.10 +/- 4.19   1.784% *  0.0779% (0.29   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    ASP-  62   8.37 +/- 1.70   5.489% *  0.0230% (0.09   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ARG+  54  17.61 +/- 2.78   0.510% *  0.2328% (0.87   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ARG+  54  17.29 +/- 1.68   0.454% *  0.2262% (0.85   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ASP-  62  11.71 +/- 1.84   1.819% *  0.0455% (0.17   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ARG+  54  20.38 +/- 2.50   0.287% *  0.2517% (0.94   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ARG+  54  25.61 +/- 3.11   0.188% *  0.2500% (0.94   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASP-  62  15.18 +/- 3.65   0.944% *  0.0471% (0.18   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ARG+  54  23.87 +/- 1.80   0.168% *  0.2472% (0.93   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ASP-  62  15.07 +/- 2.88   0.872% *  0.0423% (0.16   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ASP-  62  12.45 +/- 2.03   1.622% *  0.0146% (0.05   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP-  62  19.25 +/- 2.37   0.452% *  0.0468% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  19.81 +/- 3.16   0.355% *  0.0463% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.35 +/- 3.44   0.323% *  0.0499% (0.19   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.07 +/- 1.69   0.958% *  0.0146% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  20.16 +/- 1.75   0.304% *  0.0436% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  21.37 +/- 2.28   0.268% *  0.0455% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  17.03 +/- 2.64   0.883% *  0.0093% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  29.63 +/- 3.72   0.095% *  0.0860% (0.32   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  21.32 +/- 3.14   0.274% *  0.0161% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.177, support = 2.69, residual support = 7.89:
          QB    ALA   61 - HN    ASP-  62   2.71 +/- 0.22  69.887% * 47.8982% (0.16   2.79   8.20) =  96.027%  kept
          QG    LYS+  66 - HN    ASP-  62   7.37 +/- 1.52   6.465% *  8.4654% (0.11   0.75   0.79) =   1.570%  kept
          QB    ALA  110 - HN    ARG+  54  10.93 +/- 3.27   2.715% * 17.6260% (0.95   0.18   0.02) =   1.373%  kept
          QB    ALA   61 - HN    ARG+  54   9.13 +/- 1.42   2.624% *  8.4411% (0.87   0.09   0.02) =   0.635%  kept
          HB3   LEU   67 - HN    ASP-  62   9.96 +/- 1.33   1.595% *  3.3992% (0.14   0.23   0.02) =   0.156%  kept
          QG    LYS+  66 - HN    ARG+  54  14.53 +/- 3.73   1.806% *  1.2065% (0.57   0.02   0.02) =   0.062%
          HG    LEU   73 - HN    ASP-  62  12.68 +/- 3.12   5.934% *  0.1530% (0.07   0.02   0.02) =   0.026%
          HB3   LYS+  74 - HN    ARG+  54  16.11 +/- 2.77   0.843% *  0.9682% (0.46   0.02   0.02) =   0.023%
          HG    LEU   73 - HN    ARG+  54  18.36 +/- 4.67   0.853% *  0.8178% (0.39   0.02   0.02) =   0.020%
          HB3   LEU   67 - HN    ARG+  54  18.00 +/- 2.65   0.345% *  1.5928% (0.76   0.02   0.02) =   0.016%
          HG    LEU   80 - HN    ARG+  54  20.03 +/- 3.33   0.273% *  1.9847% (0.94   0.02   0.02) =   0.016%
          HG12  ILE   19 - HN    ARG+  54  22.30 +/- 3.64   0.269% *  1.9715% (0.94   0.02   0.02) =   0.015%
          HB2   LEU   80 - HN    ARG+  54  18.76 +/- 2.99   0.304% *  1.3664% (0.65   0.02   0.02) =   0.012%
          HB3   LYS+  74 - HN    ASP-  62  11.27 +/- 2.64   2.233% *  0.1812% (0.09   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - HN    ARG+  54  20.92 +/- 2.62   0.340% *  1.0465% (0.50   0.02   0.02) =   0.010%
          QB    ALA  110 - HN    ASP-  62  13.59 +/- 2.00   0.681% *  0.3722% (0.18   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ASP-  62  15.07 +/- 1.50   0.480% *  0.3689% (0.18   0.02   0.02) =   0.005%
          QB    LEU   98 - HN    ARG+  54  20.16 +/- 2.09   0.232% *  0.4960% (0.24   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    ASP-  62  15.01 +/- 1.64   0.503% *  0.1958% (0.09   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ASP-  62  19.93 +/- 3.49   0.241% *  0.3714% (0.18   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  15.23 +/- 3.11   0.858% *  0.0928% (0.04   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ASP-  62  19.14 +/- 2.96   0.245% *  0.2557% (0.12   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  28.28 +/- 2.63   0.081% *  0.6139% (0.29   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  23.10 +/- 3.70   0.194% *  0.1149% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.461, support = 2.74, residual support = 10.8:
      O   HA2   GLY   51 - HN    GLY   51   2.64 +/- 0.26  44.469% * 83.6626% (0.49  10.0   2.21  10.17) =  82.318%  kept
          HD2   PRO   52 - HN    GLY   51   2.53 +/- 0.76  52.419% * 15.2376% (0.34   1.0   5.20  13.53) =  17.673%  kept
          QB    SER   48 - HN    GLY   51   7.64 +/- 1.09   1.703% *  0.1314% (0.76   1.0   0.02   0.02) =   0.005%
          HA    LYS+  65 - HN    GLY   51  17.04 +/- 4.01   0.336% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  13.22 +/- 1.49   0.334% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    GLY   51  17.54 +/- 2.57   0.156% *  0.1659% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    GLY   51  22.32 +/- 3.40   0.107% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  27.35 +/- 4.79   0.045% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  24.31 +/- 3.15   0.076% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  17.31 +/- 3.02   0.198% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  18.49 +/- 2.27   0.130% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.85 +/- 2.26   0.027% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.55, residual support = 7.75:
      O   QB    CYS   50 - HN    CYS   50   2.97 +/- 0.32  91.856% * 99.6203% (0.69  10.0   1.55   7.75) =  99.988%  kept
          HB3   ASP-  78 - HN    CYS   50  10.84 +/- 3.49   4.464% *  0.1566% (0.84   1.0   0.02   0.02) =   0.008%
          QE    LYS+  74 - HN    CYS   50  11.47 +/- 2.31   2.551% *  0.1362% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   HIS  122 - HN    CYS   50  22.07 +/- 3.54   0.910% *  0.0289% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  24.67 +/- 3.72   0.218% *  0.0579% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.01, residual support = 6.91:
          QB    ALA   47 - HN    CYS   50   2.93 +/- 1.11  83.017% * 97.6816% (0.57   2.01   6.92) =  99.893%  kept
          HG2   LYS+ 112 - HN    CYS   50  13.92 +/- 3.59  12.161% *  0.3008% (0.18   0.02   0.02) =   0.045%
          QB    ALA   64 - HN    CYS   50  13.32 +/- 1.83   2.816% *  1.2474% (0.73   0.02   0.02) =   0.043%
          QG1   VAL   42 - HN    CYS   50  14.28 +/- 1.26   2.005% *  0.7702% (0.45   0.02   0.02) =   0.019%
    Distance limit 4.33 A violated in 0 structures by 0.07 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.294, support = 3.46, residual support = 14.4:
      O   HA    SER   48 - HN    TRP   49   3.48 +/- 0.05  37.501% * 70.3633% (0.22  10.0   3.25  14.44) =  68.081%  kept
          QB    SER   48 - HN    TRP   49   3.29 +/- 0.26  44.464% * 27.7542% (0.45   1.0   3.92  14.44) =  31.840%  kept
          HD2   PRO   52 - HN    TRP   49   6.08 +/- 1.16   9.642% *  0.2045% (0.65   1.0   0.02   3.36) =   0.051%
          HA2   GLY   51 - HN    TRP   49   7.35 +/- 1.01   4.758% *  0.0704% (0.22   1.0   0.02   0.02) =   0.009%
          HA    LYS+  65 - HN    TRP   49  17.14 +/- 4.83   0.929% *  0.3133% (0.99   1.0   0.02   0.02) =   0.008%
          QB    SER   85 - HN    TRP   49  14.99 +/- 2.63   0.644% *  0.3050% (0.97   1.0   0.02   0.02) =   0.005%
          HB    THR   94 - HN    TRP   49  12.68 +/- 1.22   0.940% *  0.1078% (0.34   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    TRP   49  15.28 +/- 3.20   0.672% *  0.1299% (0.41   1.0   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    TRP   49  27.53 +/- 5.52   0.114% *  0.3050% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    TRP   49  24.67 +/- 3.12   0.154% *  0.2171% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    TRP   49  28.94 +/- 2.57   0.072% *  0.1417% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  26.23 +/- 2.78   0.110% *  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 = 85.6:
      O   HB3   TRP   49 - HN    TRP   49   2.98 +/- 0.25  99.074% * 99.8958% (0.80  10.0   4.10  85.57) =  99.999%  kept
          HB3   PHE   59 - HN    TRP   49  15.27 +/- 1.74   0.926% *  0.1042% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 2.45, residual support = 9.16:
      O   QB    SER   48 - HN    SER   48   2.29 +/- 0.25  59.147% * 66.2308% (0.45  10.0   2.40   9.17) =  77.209%  kept
      O   HA    SER   48 - HN    SER   48   2.75 +/- 0.05  35.144% * 32.8893% (0.22  10.0   2.61   9.17) =  22.781%  kept
          HD2   PRO   52 - HN    SER   48   7.76 +/- 1.41   1.997% *  0.0956% (0.65   1.0   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    SER   48  16.43 +/- 5.28   0.846% *  0.1464% (0.99   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    SER   48  13.51 +/- 2.72   0.616% *  0.1426% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    SER   48  14.00 +/- 3.27   0.561% *  0.0607% (0.41   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.43 +/- 0.93   0.907% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  11.57 +/- 1.02   0.554% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    SER   48  24.58 +/- 3.27   0.081% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  26.70 +/- 5.86   0.052% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  27.26 +/- 3.25   0.040% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  25.85 +/- 2.93   0.055% *  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 = 0.897, support = 4.08, residual support = 6.27:
          QB    ALA   47 - HN    SER   48   2.90 +/- 0.29  91.761% * 99.1195% (0.90   4.08   6.27) =  99.977%  kept
          QB    ALA   64 - HN    SER   48  12.95 +/- 2.84   5.127% *  0.2034% (0.38   0.02   0.02) =   0.011%
          QG1   VAL   42 - HN    SER   48  13.73 +/- 1.76   1.670% *  0.4340% (0.80   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - HN    SER   48  16.23 +/- 3.44   1.442% *  0.2430% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.67 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 = 0.811, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.39 +/- 3.77  64.146% * 52.2208% (0.84   0.02   0.02) =  66.163%  kept
          HB2   TRP   87 - HN    ALA   47  14.57 +/- 1.84  35.854% * 47.7792% (0.76   0.02   0.02) =  33.837%  kept
    Distance limit 4.30 A violated in 18 structures by 5.15 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 1.41, residual support = 6.22:
          QB    CYS   50 - HN    ALA   47   3.97 +/- 0.79  64.553% * 69.9408% (0.97   1.50   6.92) =  89.899%  kept
          QE    LYS+  74 - HN    ALA   47   8.69 +/- 2.37  17.358% * 28.7486% (0.98   0.61   0.02) =   9.936%  kept
          HB3   ASP-  78 - HN    ALA   47   8.83 +/- 2.75  16.304% *  0.4703% (0.49   0.02   0.62) =   0.153%  kept
          HB3   ASN   69 - HN    ALA   47  21.98 +/- 2.70   0.492% *  0.6251% (0.65   0.02   0.02) =   0.006%
          HB2   PHE   72 - HN    ALA   47  15.35 +/- 0.86   1.294% *  0.2151% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.04 A violated in 0 structures by 0.11 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 11.7:
          QG2   THR   46 - HN    ALA   47   3.46 +/- 0.72  90.719% * 97.5685% (0.97   3.20  11.68) =  99.950%  kept
          QG1   VAL   43 - HN    ALA   47  11.24 +/- 1.24   4.069% *  0.4336% (0.69   0.02   0.02) =   0.020%
          QG2   VAL   18 - HN    ALA   47  14.52 +/- 4.84   2.512% *  0.5662% (0.90   0.02   0.02) =   0.016%
          QD1   ILE   19 - HN    ALA   47  17.93 +/- 2.27   0.801% *  0.5972% (0.95   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    ALA   47  18.87 +/- 2.15   0.887% *  0.5273% (0.84   0.02   0.02) =   0.005%
          QG1   VAL   41 - HN    ALA   47  16.84 +/- 0.72   1.010% *  0.3073% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.13 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 = 2.33, residual support = 10.8:
      O   QB    ALA   47 - HN    ALA   47   2.36 +/- 0.11  96.285% * 99.7622% (0.57  10.0   2.33  10.83) =  99.997%  kept
          QB    ALA   64 - HN    ALA   47  10.96 +/- 1.64   1.348% *  0.1280% (0.73   1.0   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    ALA   47  11.45 +/- 0.95   0.940% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    ALA   47  12.83 +/- 2.86   1.427% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.23, residual support = 34.3:
      O   HB    THR   46 - HN    THR   46   3.37 +/- 0.40  95.577% * 99.3656% (0.25  10.0   3.23  34.27) =  99.990%  kept
          HA    LYS+ 112 - HN    THR   46  13.69 +/- 1.75   1.820% *  0.3045% (0.76   1.0   0.02   0.02) =   0.006%
          HB2   HIS   22 - HN    THR   46  16.01 +/- 5.09   1.699% *  0.1359% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   HIS  122 - HN    THR   46  18.72 +/- 2.72   0.904% *  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 = 0.59, support = 3.59, residual support = 11.1:
          QG2   THR   77 - HN    THR   46   2.76 +/- 0.74  71.755% * 81.1492% (0.61   3.67  11.56) =  95.669%  kept
          HB3   ASP-  44 - HN    THR   46   5.79 +/- 0.78  16.763% * 15.3951% (0.22   1.90   0.02) =   4.240%  kept
          QB    ALA   88 - HN    THR   46  11.95 +/- 2.46   4.929% *  0.6896% (0.95   0.02   0.02) =   0.056%
          HB3   LEU   80 - HN    THR   46   9.90 +/- 1.92   3.058% *  0.2997% (0.41   0.02   0.02) =   0.015%
          HB2   LEU   63 - HN    THR   46  11.84 +/- 3.06   2.015% *  0.2250% (0.31   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HN    THR   46  16.56 +/- 2.60   0.699% *  0.4716% (0.65   0.02   0.02) =   0.005%
          HB2   LEU   31 - HN    THR   46  18.62 +/- 3.00   0.403% *  0.4127% (0.57   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    THR   46  21.32 +/- 0.93   0.230% *  0.6537% (0.90   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    THR   46  24.86 +/- 1.18   0.148% *  0.7035% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  11.89 +/- 2.18  35.157% * 32.0586% (0.99   0.02   0.02) =  45.580%  kept
          QD1   ILE  119 - HN    THR   46  12.76 +/- 1.82  26.794% * 25.8997% (0.80   0.02   0.02) =  28.064%  kept
          HB2   LEU  104 - HN    THR   46  17.51 +/- 2.11  12.315% * 32.0586% (0.99   0.02   0.02) =  15.967%  kept
          HG3   LYS+ 112 - HN    THR   46  13.77 +/- 2.87  25.734% *  9.9831% (0.31   0.02   0.02) =  10.389%  kept
    Distance limit 4.74 A violated in 20 structures by 4.92 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.35, residual support = 34.1:
          QG2   THR   46 - HN    THR   46   2.61 +/- 0.44  82.847% * 88.0984% (0.97   3.36  34.27) =  99.623%  kept
          QG2   VAL   18 - HN    THR   46  13.00 +/- 5.33   2.308% * 10.0750% (1.00   0.37   0.02) =   0.317%  kept
          QG1   VAL   43 - HN    THR   46   7.85 +/- 1.34   5.747% *  0.5137% (0.95   0.02   0.02) =   0.040%
          QD2   LEU   73 - HN    THR   46   8.82 +/- 1.48   6.184% *  0.0838% (0.15   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    THR   46  13.67 +/- 0.79   0.763% *  0.4349% (0.80   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    THR   46  16.02 +/- 2.32   0.963% *  0.2857% (0.53   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    THR   46  15.62 +/- 2.77   0.633% *  0.3730% (0.69   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    THR   46  16.40 +/- 2.97   0.556% *  0.1354% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.65, residual support = 1.62:
          QG1   VAL   75 - HN    THR   46   3.85 +/- 1.19  87.031% * 99.0097% (0.92   1.66   1.63) =  99.851%  kept
          QD1   LEU  115 - HN    THR   46  10.08 +/- 1.72  12.969% *  0.9903% (0.76   0.02   0.02) =   0.149%  kept
    Distance limit 4.58 A violated in 2 structures by 0.24 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 3.41, residual support = 27.3:
          HB    THR   94 - HN    PHE   45   4.03 +/- 0.42  64.504% * 93.3516% (0.65   3.43  27.37) =  99.573%  kept
          HA    LYS+  65 - HN    PHE   45  12.04 +/- 3.80  12.747% *  0.7775% (0.92   0.02   0.02) =   0.164%  kept
          HA    ALA   88 - HN    PHE   45  13.98 +/- 2.60   6.349% *  1.2538% (0.18   0.17   0.02) =   0.132%  kept
          QB    SER   48 - HN    PHE   45  11.12 +/- 0.83   3.353% *  0.6437% (0.76   0.02   0.02) =   0.036%
          QB    SER   85 - HN    PHE   45  14.32 +/- 1.56   1.812% *  0.8129% (0.97   0.02   0.02) =   0.024%
          HD2   PRO   52 - HN    PHE   45  11.30 +/- 1.43   3.932% *  0.2873% (0.34   0.02   0.02) =   0.019%
          HA    ALA  120 - HN    PHE   45  17.18 +/- 1.82   1.091% *  0.7968% (0.95   0.02   0.02) =   0.014%
          HA2   GLY   51 - HN    PHE   45  13.78 +/- 1.59   2.020% *  0.4100% (0.49   0.02   0.02) =   0.014%
          HA2   GLY   16 - HN    PHE   45  21.72 +/- 4.89   0.589% *  0.8129% (0.97   0.02   0.02) =   0.008%
          HA    LYS+ 121 - HN    PHE   45  17.60 +/- 2.01   0.955% *  0.4769% (0.57   0.02   0.02) =   0.008%
          QB    SER  117 - HN    PHE   45  13.51 +/- 1.28   2.038% *  0.2100% (0.25   0.02   0.02) =   0.007%
          HA    GLN   32 - HN    PHE   45  20.31 +/- 2.07   0.611% *  0.1667% (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 = 3.62, residual support = 80.0:
      O   HB2   PHE   45 - HN    PHE   45   2.72 +/- 0.56  96.309% * 99.8561% (0.99  10.0   3.62  80.00) =  99.997%  kept
          QE    LYS+ 111 - HN    PHE   45  13.40 +/- 2.06   1.716% *  0.0988% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   CYS   21 - HN    PHE   45  13.53 +/- 3.14   1.975% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 80.0:
      O   HB3   PHE   45 - HN    PHE   45   3.17 +/- 0.55  81.408% * 99.6079% (0.87  10.0   3.95  80.00) =  99.985%  kept
          QE    LYS+ 112 - HN    PHE   45  10.98 +/- 3.26   4.818% *  0.0996% (0.87   1.0   0.02   0.02) =   0.006%
          HB    VAL  107 - HN    PHE   45   8.37 +/- 0.94   5.663% *  0.0515% (0.45   1.0   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HN    PHE   45  11.14 +/- 3.23   6.113% *  0.0431% (0.38   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    PHE   45  13.59 +/- 2.20   1.647% *  0.0919% (0.80   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    PHE   45  21.35 +/- 2.48   0.352% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (1.33, 8.74, 125.75 ppm):
    13 chemical-shift based assignments, quality = 0.441, support = 3.69, residual support = 15.9:
          HB3   ASP-  44 - HN    PHE   45   3.82 +/- 0.43  38.823% * 60.4813% (0.49   4.10  18.06) =  77.482%  kept
          QG2   THR   77 - HN    PHE   45   4.80 +/- 0.71  22.001% * 24.1323% (0.31   2.58  11.00) =  17.520%  kept
          HB3   PRO   93 - HN    PHE   45   5.53 +/- 1.32  19.886% *  6.4203% (0.15   1.37   0.02) =   4.213%  kept
          QB    ALA   88 - HN    PHE   45  12.35 +/- 2.49   3.717% *  3.5383% (0.69   0.17   0.02) =   0.434%  kept
          QB    ALA   84 - HN    PHE   45   9.58 +/- 1.27   2.893% *  1.9877% (0.18   0.37   0.35) =   0.190%  kept
          HB2   LEU   63 - HN    PHE   45   9.81 +/- 3.03   5.340% *  0.3676% (0.61   0.02   0.02) =   0.065%
          HB3   LEU   80 - HN    PHE   45  11.70 +/- 2.90   2.713% *  0.4401% (0.73   0.02   0.02) =   0.039%
          HG2   LYS+ 111 - HN    PHE   45  14.10 +/- 2.47   1.297% *  0.5594% (0.92   0.02   0.02) =   0.024%
          HB2   LEU   31 - HN    PHE   45  16.86 +/- 2.48   0.581% *  0.5257% (0.87   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    PHE   45  12.63 +/- 2.27   1.777% *  0.1511% (0.25   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    PHE   45  18.04 +/- 0.76   0.416% *  0.6047% (1.00   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HN    PHE   45  22.27 +/- 0.72   0.208% *  0.5849% (0.97   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    PHE   45  19.24 +/- 1.92   0.348% *  0.2067% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.886, support = 1.03, residual support = 6.98:
          QD1   ILE   89 - HN    PHE   45   7.64 +/- 2.03  46.702% * 47.1831% (0.80   1.08  10.62) =  52.461%  kept
          QG2   VAL   83 - HN    PHE   45   8.19 +/- 1.93  38.203% * 51.9079% (0.98   0.97   2.98) =  47.212%  kept
          QD2   LEU   31 - HN    PHE   45  12.18 +/- 2.08  15.095% *  0.9090% (0.84   0.02   0.02) =   0.327%  kept
    Distance limit 4.44 A violated in 11 structures by 2.00 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.1, residual support = 12.4:
          HB3   PHE   45 - HN    THR   46   3.62 +/- 0.59  79.588% * 98.4416% (1.00   4.10  12.43) =  99.926%  kept
          QE    LYS+ 112 - HN    THR   46  12.73 +/- 3.32   7.642% *  0.4802% (1.00   0.02   0.02) =   0.047%
          HB    VAL  107 - HN    THR   46  12.38 +/- 1.05   2.630% *  0.3854% (0.80   0.02   0.02) =   0.013%
          HB3   ASP-  62 - HN    THR   46  12.76 +/- 3.58   7.014% *  0.0651% (0.14   0.02   0.02) =   0.006%
          HB3   ASP-  86 - HN    THR   46  13.25 +/- 1.63   2.117% *  0.2158% (0.45   0.02   0.02) =   0.006%
          HG2   GLU-  29 - HN    THR   46  22.23 +/- 3.46   0.521% *  0.2919% (0.61   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    THR   46  21.35 +/- 2.24   0.489% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.744, residual support = 7.54:
          HN    CYS   50 - HN    CYS   53   5.13 +/- 0.41  97.231% * 77.1198% (0.87  1.00   0.75   7.60) =  99.162%  kept
        T HN    VAL   83 - HN    CYS   53  18.53 +/- 2.70   2.769% * 22.8802% (0.97 10.00   0.02   0.02) =   0.838%  kept
    Distance limit 4.87 A violated in 0 structures by 0.33 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 55.1:
      O   HA    PRO   52 - HN    CYS   53   3.46 +/- 0.02  97.176% * 99.8358% (0.61  10.0   7.18  55.11) =  99.995%  kept
          HA    LYS+ 111 - HN    CYS   53  12.27 +/- 2.41   2.824% *  0.1642% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.77, residual support = 44.1:
      O   HA    CYS   53 - HN    CYS   53   2.73 +/- 0.05  98.658% * 99.7036% (0.90  10.0   4.77  44.08) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  16.03 +/- 1.82   0.591% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  21.98 +/- 3.00   0.256% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  25.99 +/- 2.73   0.140% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  25.72 +/- 2.50   0.136% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  28.13 +/- 2.27   0.098% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.47 +/- 2.13   0.121% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.351, support = 7.85, residual support = 51.2:
          HD2   PRO   52 - HN    CYS   53   2.27 +/- 0.02  84.757% * 60.8951% (0.34   8.19  55.11) =  92.831%  kept
          HA2   GLY   51 - HN    CYS   53   4.54 +/- 0.21  10.939% * 36.3163% (0.49   3.42   0.24) =   7.145%  kept
          QB    SER   48 - HN    CYS   53   8.98 +/- 1.15   1.707% *  0.3330% (0.76   0.02   0.02) =   0.010%
          HB    THR   94 - HN    CYS   53  11.58 +/- 1.46   0.733% *  0.2819% (0.65   0.02   0.02) =   0.004%
          HA    ALA  120 - HN    CYS   53  19.40 +/- 3.42   0.397% *  0.4122% (0.95   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    CYS   53  15.94 +/- 2.74   0.356% *  0.4023% (0.92   0.02   0.02) =   0.003%
          QB    SER   85 - HN    CYS   53  18.04 +/- 2.27   0.197% *  0.4206% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    CYS   53  21.41 +/- 3.17   0.247% *  0.2467% (0.57   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYS   53  15.74 +/- 1.87   0.313% *  0.1087% (0.25   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    CYS   53  26.10 +/- 4.66   0.073% *  0.4206% (0.97   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    CYS   53  17.49 +/- 2.50   0.233% *  0.0763% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.47 +/- 2.28   0.048% *  0.0862% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.952, support = 4.99, residual support = 44.8:
      O   HB2   CYS   53 - HN    CYS   53   2.64 +/- 0.42  67.219% * 84.8976% (0.98  10.0   4.91  44.08) =  93.130%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.01  28.244% * 14.8957% (0.57   1.0   6.08  55.11) =   6.866%  kept
          HD2   PRO   58 - HN    CYS   53   9.09 +/- 2.04   4.100% *  0.0560% (0.65   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HN    CYS   53  19.00 +/- 2.66   0.261% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.49 +/- 2.79   0.109% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.07 +/- 2.38   0.067% *  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 = 5.93, residual support = 42.7:
      O   HB3   CYS   53 - HN    CYS   53   2.81 +/- 0.58  63.934% * 75.7441% (0.97  10.0   6.09  44.08) =  94.730%  kept
          HD2   ARG+  54 - HN    CYS   53   7.10 +/- 0.94  10.172% * 15.3845% (0.92   1.0   4.25  31.61) =   3.061%  kept
          QB    PHE   55 - HN    CYS   53   5.09 +/- 0.50  14.635% *  6.0500% (0.97   1.0   1.60   0.02) =   1.732%  kept
          HD3   PRO   93 - HN    CYS   53   7.17 +/- 2.88   9.024% *  2.6836% (1.00   1.0   0.69   0.02) =   0.474%  kept
          HB2   PHE   59 - HN    CYS   53  11.00 +/- 1.36   1.854% *  0.0600% (0.76   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    CYS   53  19.66 +/- 3.45   0.382% *  0.0778% (0.99   1.0   0.02   0.02) =   0.001%
    Distance limit 3.89 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 = 0.688, support = 2.82, residual support = 7.33:
          QB    CYS   50 - HN    CYS   53   4.03 +/- 0.84  70.006% * 81.2447% (0.69   2.90   7.60) =  96.359%  kept
          QE    LYS+  74 - HN    CYS   53  11.77 +/- 2.72  11.894% * 17.6981% (0.73   0.60   0.02) =   3.566%  kept
          HB3   ASP-  78 - HN    CYS   53  13.65 +/- 3.37   3.721% *  0.6803% (0.84   0.02   0.02) =   0.043%
          HB3   HIS  122 - HN    CYS   53  18.81 +/- 4.02  13.708% *  0.1257% (0.15   0.02   0.02) =   0.029%
          HB3   ASN   69 - HN    CYS   53  23.26 +/- 3.12   0.671% *  0.2514% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 55.1:
          HG2   PRO   52 - HN    CYS   53   3.03 +/- 0.12  88.025% * 94.9796% (0.25   7.20  55.11) =  99.923%  kept
          HG2   MET   92 - HN    CYS   53  10.10 +/- 3.06   4.654% *  0.8084% (0.76   0.02   0.02) =   0.045%
          QG    GLU- 114 - HN    CYS   53  13.30 +/- 1.92   1.382% *  0.7266% (0.69   0.02   0.02) =   0.012%
          HB2   ASP-  44 - HN    CYS   53  11.41 +/- 1.91   2.324% *  0.2638% (0.25   0.02   0.02) =   0.007%
          HB2   GLU-  79 - HN    CYS   53  16.47 +/- 2.53   0.645% *  0.6416% (0.61   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    CYS   53  12.58 +/- 2.55   1.852% *  0.1432% (0.14   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    CYS   53  17.85 +/- 2.63   0.560% *  0.1852% (0.18   0.02   0.02) =   0.001%
          QB    MET   11 - HN    CYS   53  31.03 +/- 3.75   0.096% *  0.8470% (0.80   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   53  25.25 +/- 3.56   0.186% *  0.3608% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    CYS   53  32.62 +/- 2.89   0.080% *  0.8084% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  24.73 +/- 3.30   0.196% *  0.2355% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.941, support = 7.03, residual support = 54.0:
          HG3   PRO   52 - HN    CYS   53   4.20 +/- 0.08  47.152% * 90.6579% (0.98   7.20  55.11) =  95.204%  kept
          HB2   ARG+  54 - HN    CYS   53   5.28 +/- 0.52  25.328% *  8.3654% (0.18   3.72  31.61) =   4.719%  kept
          HB2   PRO   93 - HN    CYS   53   7.01 +/- 2.48  21.592% *  0.1056% (0.41   0.02   0.02) =   0.051%
          HG2   PRO   58 - HN    CYS   53  10.91 +/- 1.69   4.169% *  0.2518% (0.98   0.02   0.02) =   0.023%
          HB2   GLU-  14 - HN    CYS   53  28.07 +/- 3.37   0.183% *  0.2563% (1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    CYS   53  22.29 +/- 3.74   0.591% *  0.0714% (0.28   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  16.57 +/- 2.90   0.892% *  0.0348% (0.14   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    CYS   53  34.99 +/- 3.61   0.092% *  0.2568% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.47 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 = 0.668, support = 7.24, residual support = 53.1:
      O   HB3   PRO   52 - HN    CYS   53   3.93 +/- 0.43  57.260% * 77.7515% (0.65  10.0   7.55  55.11) =  91.340%  kept
          HG2   ARG+  54 - HN    CYS   53   5.76 +/- 0.55  19.643% * 21.4277% (0.90   1.0   3.98  31.61) =   8.635%  kept
          HG    LEU  123 - HN    CYS   53  19.64 +/- 4.60   4.814% *  0.0778% (0.65   1.0   0.02   0.02) =   0.008%
          HB    ILE   56 - HN    CYS   53   7.62 +/- 1.04  11.211% *  0.0238% (0.20   1.0   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    CYS   53  13.46 +/- 3.09   2.415% *  0.0826% (0.69   1.0   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    CYS   53  16.23 +/- 2.95   1.160% *  0.0729% (0.61   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    CYS   53  21.05 +/- 3.99   0.611% *  0.1137% (0.95   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    CYS   53  16.41 +/- 1.86   0.939% *  0.0680% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    CYS   53  19.90 +/- 1.94   0.503% *  0.1043% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    CYS   53  22.93 +/- 1.26   0.315% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    CYS   53  25.35 +/- 2.59   0.301% *  0.0919% (0.76   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    CYS   53  21.75 +/- 2.04   0.392% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  20.74 +/- 1.18   0.436% *  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 = 0.772, support = 5.84, residual support = 44.4:
        T HN    GLN   32 - HN    LEU   31   2.70 +/- 0.18  79.653% * 96.1084% (0.78 10.00   5.85  44.60) =  99.251%  kept
          HN    ALA   34 - HN    LEU   31   4.53 +/- 0.30  18.011% *  3.2006% (0.14  1.00   3.61  11.78) =   0.747%  kept
        T HN    GLN   32 - HN    PHE   55  27.40 +/- 3.48   0.113% *  0.4688% (0.38 10.00   0.02   0.02) =   0.001%
          HN    SER   85 - HN    LEU   31  21.79 +/- 6.98   0.282% *  0.1148% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    PHE   55  11.19 +/- 1.46   1.350% *  0.0140% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.18 +/- 2.71   0.202% *  0.0560% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.45 +/- 1.96   0.278% *  0.0287% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  26.94 +/- 3.24   0.111% *  0.0087% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.546, support = 7.01, residual support = 49.5:
        T HN    GLN   30 - HN    LEU   31   2.58 +/- 0.10  82.084% * 78.2963% (0.53 10.00   7.22  52.12) =  94.916%  kept
          HN    GLU-  29 - HN    LEU   31   4.43 +/- 0.24  16.337% * 21.0653% (0.91  1.00   3.11   0.42) =   5.082%  kept
        T HN    GLN   30 - HN    PHE   55  25.63 +/- 3.68   0.139% *  0.3819% (0.26 10.00   0.02   0.02) =   0.001%
          HN    ASP-  86 - HN    LEU   31  21.22 +/- 7.67   0.368% *  0.0895% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  14.34 +/- 1.86   0.561% *  0.0385% (0.26  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.00 +/- 3.67   0.110% *  0.0661% (0.44  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.84 +/- 2.72   0.154% *  0.0436% (0.29  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  21.14 +/- 4.74   0.247% *  0.0188% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.481, support = 3.31, residual support = 20.8:
      O   HA    PHE   55 - HN    PHE   55   2.83 +/- 0.06  76.028% * 97.2034% (0.48  10.0   3.31  20.82) =  99.803%  kept
          HA    TRP   27 - HN    LEU   31   4.65 +/- 0.28  17.727% *  0.5438% (0.13   1.0   0.40  22.96) =   0.130%  kept
          HA    ALA  110 - HN    PHE   55  11.93 +/- 4.24   3.044% *  1.5339% (0.71   1.0   0.21   0.62) =   0.063%
          HA    ALA   91 - HN    PHE   55  13.36 +/- 2.80   1.014% *  0.0659% (0.33   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    PHE   55  16.53 +/- 2.95   0.515% *  0.1283% (0.64   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    PHE   55  15.86 +/- 1.66   0.473% *  0.0907% (0.45   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  23.76 +/- 4.26   0.173% *  0.0972% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.09 +/- 1.63   0.225% *  0.0687% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  25.86 +/- 4.15   0.200% *  0.0736% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.72 +/- 2.59   0.132% *  0.1089% (0.54   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  23.13 +/- 3.67   0.295% *  0.0357% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.92 +/- 3.37   0.175% *  0.0499% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.785, support = 3.05, residual support = 20.4:
      O   QB    PHE   55 - HN    PHE   55   2.06 +/- 0.08  81.250% * 82.1202% (0.79  10.0   3.04  20.82) =  97.631%  kept
          HD2   ARG+  54 - HN    PHE   55   5.06 +/- 0.73  10.433% * 14.0718% (0.69   1.0   3.92   4.51) =   2.148%  kept
          HB3   CYS   53 - HN    PHE   55   5.45 +/- 0.34   4.601% *  3.2209% (0.73   1.0   0.84   0.02) =   0.217%  kept
          HD3   PRO   93 - HN    PHE   55   9.14 +/- 3.29   1.954% *  0.0827% (0.79   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HN    PHE   55   9.31 +/- 1.11   1.012% *  0.0692% (0.66   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   55  19.02 +/- 3.30   0.167% *  0.0829% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  17.21 +/- 2.57   0.186% *  0.0628% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  20.33 +/- 3.22   0.126% *  0.0524% (0.50   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.13 +/- 3.01   0.077% *  0.0622% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.69 +/- 2.34   0.074% *  0.0579% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.40 +/- 1.82   0.060% *  0.0626% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  26.41 +/- 4.57   0.060% *  0.0544% (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 = 0.329, support = 3.61, residual support = 9.28:
      O   HA    ARG+  54 - HN    PHE   55   3.54 +/- 0.05  39.162% * 65.4229% (0.25  10.0   3.31   4.51) =  67.273%  kept
          HA    ASN   28 - HN    LEU   31   3.44 +/- 0.15  42.404% * 28.8286% (0.50   1.0   4.30  19.46) =  32.098%  kept
          HA    THR   26 - HN    LEU   31   6.83 +/- 0.43   5.639% *  3.8950% (0.39   1.0   0.75   0.02) =   0.577%  kept
          HA    ALA   34 - HN    LEU   31   6.83 +/- 0.39   5.649% *  0.1550% (0.58   1.0   0.02  11.78) =   0.023%
          HA1   GLY  101 - HN    LEU   31  11.94 +/- 4.42   3.676% *  0.1602% (0.60   1.0   0.02   0.02) =   0.015%
          HA    LEU  115 - HN    PHE   55  12.45 +/- 1.11   0.955% *  0.1839% (0.69   1.0   0.02   1.50) =   0.005%
          HA    GLU- 114 - HN    PHE   55  14.72 +/- 0.95   0.562% *  0.2005% (0.75   1.0   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    LEU   31  20.29 +/- 3.26   0.531% *  0.1393% (0.52   1.0   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    LEU   31  23.92 +/- 3.50   0.216% *  0.1519% (0.57   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    PHE   55  25.07 +/- 3.07   0.151% *  0.1770% (0.66   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  26.76 +/- 2.94   0.112% *  0.2046% (0.77   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    PHE   55  27.08 +/- 3.83   0.144% *  0.1371% (0.51   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    PHE   55  28.81 +/- 2.51   0.080% *  0.2115% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  23.21 +/- 4.05   0.261% *  0.0472% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.12 +/- 4.22   0.242% *  0.0496% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  23.30 +/- 4.71   0.217% *  0.0357% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 7.13, residual support = 232.0:
      O   HA    LEU   31 - HN    LEU   31   2.78 +/- 0.06  99.804% * 99.9512% (0.60  10.0   7.13 231.95) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  24.78 +/- 3.13   0.196% *  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 = 0.49, support = 5.83, residual support = 42.1:
          HB2   GLN   30 - HN    LEU   31   3.29 +/- 0.33  38.975% * 34.0801% (0.48   6.18  52.12) =  54.507%  kept
          HG3   GLN   30 - HN    LEU   31   4.94 +/- 0.21  12.085% * 49.4639% (0.60   7.25  52.12) =  24.530%  kept
          HB2   ARG+  54 - HN    PHE   55   3.43 +/- 0.45  35.371% * 14.4103% (0.39   3.26   4.51) =  20.917%  kept
          HB3   GLU- 100 - HN    LEU   31  12.52 +/- 3.29   1.936% *  0.1195% (0.52   0.02   0.02) =   0.009%
          HB2   PRO   93 - HN    PHE   55   8.49 +/- 2.43   3.819% *  0.0405% (0.18   0.02   0.02) =   0.006%
          HB    ILE  119 - HN    PHE   55  13.51 +/- 2.02   0.885% *  0.1456% (0.64   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - HN    PHE   55  12.86 +/- 2.54   0.816% *  0.1029% (0.45   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    LEU   31  13.54 +/- 3.01   1.098% *  0.0670% (0.29   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    LEU   31  21.03 +/- 3.64   0.489% *  0.1103% (0.48   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    LEU   31  10.49 +/- 0.28   1.239% *  0.0425% (0.19   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    PHE   55  21.11 +/- 3.73   0.333% *  0.1577% (0.69   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    PHE   55  24.53 +/- 4.31   0.289% *  0.1802% (0.79   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LEU   31  15.03 +/- 2.88   0.696% *  0.0670% (0.29   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    PHE   55  23.82 +/- 3.72   0.285% *  0.1456% (0.64   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LEU   31  18.17 +/- 2.71   0.319% *  0.1195% (0.52   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    PHE   55  17.11 +/- 2.53   0.323% *  0.1029% (0.45   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  23.35 +/- 4.48   0.160% *  0.0885% (0.39   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    PHE   55  29.47 +/- 3.13   0.077% *  0.1577% (0.69   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  21.45 +/- 2.03   0.153% *  0.0780% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  25.96 +/- 4.07   0.170% *  0.0670% (0.29   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  25.29 +/- 4.04   0.122% *  0.0885% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.20 +/- 2.71   0.097% *  0.0780% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.55 +/- 3.63   0.111% *  0.0561% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  21.11 +/- 1.85   0.153% *  0.0307% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.13, residual support = 231.9:
      O   HB2   LEU   31 - HN    LEU   31   2.65 +/- 0.16  78.563% * 98.5368% (0.78  10.0   7.13 231.95) =  99.983%  kept
          HG    LEU   98 - HN    LEU   31  11.15 +/- 3.36   2.400% *  0.1023% (0.81   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    LEU   31  12.50 +/- 3.30   4.032% *  0.0574% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    PHE   55   8.38 +/- 2.33   4.999% *  0.0418% (0.33   1.0   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    PHE   55  11.99 +/- 2.69   1.809% *  0.0570% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    LEU   31  17.50 +/- 7.71   0.819% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  11.96 +/- 2.06   1.165% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   31  16.56 +/- 2.99   0.517% *  0.1169% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LEU   31  15.39 +/- 1.74   0.483% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  13.09 +/- 2.72   1.023% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  12.14 +/- 1.38   0.934% *  0.0443% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  17.77 +/- 4.73   0.458% *  0.0902% (0.71   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   31  19.92 +/- 4.27   0.364% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   55  15.26 +/- 2.30   0.528% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  19.78 +/- 3.40   0.331% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  21.00 +/- 1.79   0.175% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.47 +/- 3.30   0.247% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  16.33 +/- 2.82   0.432% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.96 +/- 2.84   0.088% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.55 +/- 2.59   0.151% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  25.73 +/- 3.16   0.109% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.26 +/- 3.06   0.098% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.88 +/- 1.87   0.206% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  30.15 +/- 3.71   0.069% *  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 = 7.13, residual support = 231.9:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.04  70.524% * 99.4260% (0.83  10.0   7.13 231.95) =  99.985%  kept
          QB    ALA   20 - HN    LEU   31  10.44 +/- 1.50   3.468% *  0.0994% (0.83   1.0   0.02   0.02) =   0.005%
          HD3   LYS+ 112 - HN    PHE   55   8.93 +/- 2.99  10.378% *  0.0167% (0.14   1.0   0.02   0.85) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.81 +/- 0.60   4.763% *  0.0247% (0.21   1.0   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    PHE   55  12.80 +/- 2.08   2.239% *  0.0499% (0.42   1.0   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    LEU   31  19.57 +/- 3.79   1.024% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    PHE   55  18.00 +/- 3.54   1.513% *  0.0485% (0.41   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    PHE   55  11.16 +/- 2.01   2.746% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    LEU   31  19.94 +/- 4.52   0.589% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  16.87 +/- 1.80   0.775% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.07 +/- 2.81   0.829% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  24.97 +/- 2.97   0.268% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  25.66 +/- 4.26   0.292% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.58 +/- 2.86   0.592% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.627, support = 7.3, residual support = 212.3:
          HG    LEU   31 - HN    LEU   31   2.44 +/- 0.37  68.322% * 64.5259% (0.64   7.72 231.95) =  90.785%  kept
          QD1   ILE   56 - HN    PHE   55   4.65 +/- 1.05  17.977% * 20.7225% (0.45   3.52  21.70) =   7.672%  kept
          QD2   LEU   73 - HN    LEU   31   7.79 +/- 3.03   5.308% * 14.0178% (0.78   1.38   1.32) =   1.532%  kept
          QG1   VAL   41 - HN    LEU   31   6.68 +/- 2.16   5.958% *  0.0426% (0.16   0.02   0.02) =   0.005%
          QD1   ILE   56 - HN    LEU   31  17.99 +/- 3.16   0.501% *  0.2411% (0.92   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    PHE   55  14.95 +/- 3.85   1.162% *  0.0991% (0.38   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LEU   31  19.54 +/- 4.76   0.245% *  0.1671% (0.64   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  20.25 +/- 2.50   0.208% *  0.0815% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  23.67 +/- 3.27   0.145% *  0.0815% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.20 +/- 1.42   0.174% *  0.0208% (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 = 231.9:
          QD2   LEU   31 - HN    LEU   31   1.97 +/- 0.43  97.714% * 97.7465% (0.18   6.89 231.95) =  99.974%  kept
          QG2   VAL   43 - HN    LEU   31   9.43 +/- 3.03   1.410% *  1.4216% (0.92   0.02   0.02) =   0.021%
          QG2   VAL   43 - HN    PHE   55  14.74 +/- 1.31   0.628% *  0.6935% (0.45   0.02   0.02) =   0.005%
          QD2   LEU   31 - HN    PHE   55  19.55 +/- 2.46   0.247% *  0.1385% (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 = 0.688, support = 1.5, residual support = 1.05:
          QD1   LEU   73 - HN    LEU   31   7.12 +/- 3.87  29.914% * 42.3472% (0.60   1.80   1.32) =  67.970%  kept
          QD1   LEU  104 - HN    LEU   31  11.17 +/- 3.43  11.480% * 38.2758% (0.92   1.06   0.49) =  23.576%  kept
          QD2   LEU  115 - HN    LEU   31  17.26 +/- 3.48   7.925% * 12.6235% (0.88   0.37   0.02) =   5.368%  kept
          QD2   LEU  115 - HN    PHE   55   8.54 +/- 1.83  10.880% *  3.7261% (0.43   0.22   1.50) =   2.175%  kept
          QD2   LEU   80 - HN    LEU   31  13.27 +/- 7.08   8.008% *  0.7023% (0.90   0.02   0.02) =   0.302%  kept
          QD1   LEU   63 - HN    LEU   31  13.23 +/- 3.02   8.711% *  0.4708% (0.60   0.02   0.02) =   0.220%  kept
          QG1   VAL   83 - HN    LEU   31  14.12 +/- 6.92   6.902% *  0.4708% (0.60   0.02   0.02) =   0.174%  kept
          QD1   LEU   63 - HN    PHE   55  10.59 +/- 2.25   7.595% *  0.2297% (0.29   0.02   0.02) =   0.094%
          QD1   LEU   73 - HN    PHE   55  16.08 +/- 4.23   4.826% *  0.2297% (0.29   0.02   0.02) =   0.059%
          QD2   LEU   80 - HN    PHE   55  17.97 +/- 2.65   1.613% *  0.3426% (0.44   0.02   0.02) =   0.030%
          QG1   VAL   83 - HN    PHE   55  17.38 +/- 2.87   1.329% *  0.2297% (0.29   0.02   0.02) =   0.016%
          QD1   LEU  104 - HN    PHE   55  19.58 +/- 2.89   0.816% *  0.3519% (0.45   0.02   0.02) =   0.015%
    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 = 0.664, support = 8.14, residual support = 51.4:
          HB3   GLN   30 - HN    LEU   31   2.95 +/- 0.35  74.685% * 88.1220% (0.68   8.24  52.12) =  97.754%  kept
          HB    ILE   56 - HN    PHE   55   5.58 +/- 0.64  14.780% * 10.1433% (0.17   3.76  21.70) =   2.227%  kept
          HB3   PRO   58 - HN    PHE   55   9.97 +/- 1.07   2.434% *  0.1408% (0.44   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    PHE   55  12.28 +/- 3.23   1.837% *  0.1246% (0.39   0.02   0.02) =   0.003%
          HB3   LYS+  38 - HN    LEU   31  12.94 +/- 0.99   1.062% *  0.1549% (0.49   0.02   0.02) =   0.002%
          HB3   GLU-  14 - HN    LEU   31  14.55 +/- 4.13   1.329% *  0.1105% (0.35   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    LEU   31  19.75 +/- 4.85   0.759% *  0.1667% (0.53   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    LEU   31  22.72 +/- 4.44   0.356% *  0.2886% (0.91   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    LEU   31  13.74 +/- 2.76   1.260% *  0.0454% (0.14   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  23.33 +/- 2.49   0.176% *  0.2554% (0.81   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LEU   31  22.28 +/- 3.60   0.270% *  0.1105% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.78 +/- 3.72   0.275% *  0.1043% (0.33   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.14 +/- 1.31   0.458% *  0.0222% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  28.64 +/- 4.40   0.153% *  0.0539% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  29.41 +/- 3.38   0.095% *  0.0756% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  35.48 +/- 5.27   0.071% *  0.0813% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.551, support = 6.08, residual support = 43.1:
          HG2   GLN   30 - HN    LEU   31   4.89 +/- 0.27  49.997% * 68.3651% (0.49   7.50  52.12) =  72.306%  kept
          HB3   ASN   28 - HN    LEU   31   5.21 +/- 0.27  41.753% * 31.3470% (0.71   2.37  19.46) =  27.687%  kept
          QE    LYS+ 121 - HN    PHE   55  17.71 +/- 2.92   4.994% *  0.0229% (0.06   0.02   0.02) =   0.002%
          QE    LYS+ 121 - HN    LEU   31  18.24 +/- 4.21   2.043% *  0.0469% (0.13   0.02   0.02) =   0.002%
          HG2   GLN   30 - HN    PHE   55  24.61 +/- 3.98   0.852% *  0.0890% (0.24   0.02   0.02) =   0.002%
          HB3   ASN   28 - HN    PHE   55  27.23 +/- 3.14   0.362% *  0.1292% (0.35   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.6, residual support = 51.9:
      O   HA    GLN   30 - HN    LEU   31   3.60 +/- 0.04  52.950% * 98.0645% (0.64  10.0   6.62  52.12) =  99.649%  kept
          HB2   CYS   53 - HN    PHE   55   5.16 +/- 0.28  18.334% *  0.8731% (0.13   1.0   0.90   0.02) =   0.307%  kept
          QB    SER   13 - HN    LEU   31  14.74 +/- 4.53   9.075% *  0.1091% (0.71   1.0   0.02   0.02) =   0.019%
          HD3   PRO   52 - HN    PHE   55   6.46 +/- 0.46   9.577% *  0.0532% (0.35   1.0   0.02   0.33) =   0.010%
          HB    THR   39 - HN    LEU   31  10.47 +/- 1.62   2.654% *  0.1037% (0.68   1.0   0.02   0.02) =   0.005%
          HB3   SER   37 - HN    LEU   31  10.46 +/- 1.08   2.429% *  0.0808% (0.53   1.0   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    LEU   31  19.57 +/- 8.68   1.001% *  0.1399% (0.91   1.0   0.02   0.02) =   0.003%
          HB    THR  118 - HN    LEU   31  19.28 +/- 3.86   0.882% *  0.0318% (0.21   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    PHE   55  16.59 +/- 2.69   0.696% *  0.0394% (0.26   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    LEU   31  23.59 +/- 4.72   0.266% *  0.0808% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.64 +/- 2.36   0.140% *  0.1091% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  23.92 +/- 2.87   0.207% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  14.44 +/- 1.36   0.909% *  0.0155% (0.10   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.18 +/- 3.91   0.212% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  23.00 +/- 2.52   0.237% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.35 +/- 4.95   0.172% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.05 +/- 2.18   0.149% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.17 +/- 3.09   0.111% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (4.13, 7.87, 121.30 ppm):
    18 chemical-shift based assignments, quality = 0.612, support = 6.53, residual support = 168.4:
      O   HA    ARG+  54 - HN    ARG+  54   2.75 +/- 0.06  87.157% * 99.0002% (0.61  10.0   6.53 168.40) =  99.994%  kept
          HA    LEU  115 - HN    ARG+  54  13.64 +/- 1.38   0.838% *  0.1527% (0.94   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ASP-  62   9.32 +/- 2.36   5.811% *  0.0185% (0.11   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  10.61 +/- 1.39   1.952% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ARG+  54  16.25 +/- 1.27   0.465% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    ARG+  54  24.58 +/- 2.84   0.166% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  24.46 +/- 4.15   0.277% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.68 +/- 2.91   0.120% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.43 +/- 1.25   0.663% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  19.46 +/- 2.89   0.410% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.05 +/- 2.73   0.418% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.83 +/- 3.01   0.088% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  18.91 +/- 2.38   0.376% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  26.41 +/- 3.49   0.159% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  17.48 +/- 1.93   0.394% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  22.95 +/- 4.05   0.224% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  21.17 +/- 2.52   0.264% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  20.90 +/- 1.72   0.216% *  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 = 85.6:
      O   HB2   TRP   49 - HN    TRP   49   3.57 +/- 0.09  94.352% * 99.6106% (0.98  10.0   4.10  85.57) =  99.994%  kept
          HA    ALA   84 - HN    TRP   49  12.86 +/- 2.53   3.272% *  0.1007% (0.99   1.0   0.02   0.02) =   0.004%
          HA2   GLY  109 - HN    TRP   49  18.47 +/- 4.10   1.394% *  0.0911% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    TRP   49  21.01 +/- 2.66   0.580% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    TRP   49  22.77 +/- 2.12   0.402% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.54, residual support = 16.1:
          QB    ALA   47 - HE1   TRP   49   2.62 +/- 0.90  74.178% * 98.5614% (1.00   2.54  16.17) =  99.847%  kept
          HG2   LYS+ 112 - HE1   TRP   49  14.94 +/- 4.16  17.101% *  0.5342% (0.69   0.02   0.02) =   0.125%  kept
          QB    ALA   64 - HE1   TRP   49  14.44 +/- 2.61   7.508% *  0.1539% (0.20   0.02   0.02) =   0.016%
          QG1   VAL   42 - HE1   TRP   49  14.55 +/- 1.66   1.212% *  0.7505% (0.97   0.02   0.02) =   0.012%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.73, residual support = 16.2:
          QB    ALA   47 - HN    TRP   49   2.46 +/- 0.17  97.308% * 99.0162% (1.00   3.73  16.17) =  99.992%  kept
          HG2   LYS+ 112 - HN    TRP   49  15.59 +/- 3.43   0.878% *  0.3653% (0.69   0.02   0.02) =   0.003%
          QG1   VAL   42 - HN    TRP   49  14.70 +/- 1.50   0.570% *  0.5133% (0.97   0.02   0.02) =   0.003%
          QB    ALA   64 - HN    TRP   49  13.73 +/- 2.35   1.243% *  0.1053% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.882, support = 0.185, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   5.19 +/- 1.40  57.280% * 73.5269% (0.90   0.19   0.02) =  95.709%  kept
          HD3   PRO   52 - HN    ALA   47   7.21 +/- 1.46  29.350% *  3.4976% (0.41   0.02   0.02) =   2.333%  kept
          HD2   PRO   58 - HN    ALA   47  12.45 +/- 3.33   8.459% *  6.8124% (0.80   0.02   0.02) =   1.310%  kept
          HA    VAL   83 - HN    ALA   47  14.70 +/- 1.65   3.502% *  6.1779% (0.73   0.02   0.02) =   0.492%  kept
          HA    GLU- 100 - HN    ALA   47  25.74 +/- 1.45   0.625% *  5.8440% (0.69   0.02   0.02) =   0.083%
          HA    GLN   30 - HN    ALA   47  22.90 +/- 2.27   0.785% *  4.1411% (0.49   0.02   0.02) =   0.074%
    Distance limit 4.49 A violated in 2 structures by 0.55 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.12, residual support = 39.4:
      O   HB2   ASP-  44 - HN    ASP-  44   2.77 +/- 0.45  87.629% * 96.1014% (0.87  10.0   3.12  39.48) =  99.702%  kept
          HB3   PHE   72 - HN    ASP-  44   6.88 +/- 0.68   7.212% *  3.4492% (0.76   1.0   0.81   0.02) =   0.294%  kept
          QG    GLU-  15 - HN    ASP-  44  17.05 +/- 3.57   0.624% *  0.1048% (0.95   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  44  16.99 +/- 3.90   0.703% *  0.0925% (0.84   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP-  44  14.56 +/- 1.29   0.755% *  0.0761% (0.69   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  12.11 +/- 1.27   1.454% *  0.0378% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ASP-  44  13.05 +/- 1.63   1.176% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  23.37 +/- 2.71   0.178% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.72 +/- 1.32   0.269% *  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 = 0.863, support = 2.64, residual support = 5.02:
          HB2   LEU   73 - HN    ASP-  44   6.67 +/- 1.99  33.991% * 94.3050% (0.87   2.68   5.09) =  98.751%  kept
          HB    ILE   89 - HN    ASP-  44  12.97 +/- 2.69   7.142% *  1.4512% (0.15   0.23   0.02) =   0.319%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.34 +/- 1.53  11.501% *  0.7966% (0.98   0.02   0.02) =   0.282%  kept
          QG1   ILE   56 - HN    ASP-  44   9.80 +/- 1.83  13.632% *  0.4929% (0.61   0.02   0.02) =   0.207%  kept
          HB3   MET   92 - HN    ASP-  44  12.07 +/- 1.04   6.836% *  0.5901% (0.73   0.02   0.02) =   0.124%  kept
          QD    LYS+  99 - HN    ASP-  44  13.72 +/- 1.12   4.958% *  0.8055% (0.99   0.02   0.02) =   0.123%  kept
          HG3   PRO   93 - HN    ASP-  44  11.48 +/- 1.46   8.706% *  0.2508% (0.31   0.02   0.02) =   0.067%
          HB3   LYS+  99 - HN    ASP-  44  14.46 +/- 1.21   4.330% *  0.3956% (0.49   0.02   0.02) =   0.053%
          HD2   LYS+ 111 - HN    ASP-  44  17.83 +/- 2.72   2.278% *  0.4929% (0.61   0.02   0.02) =   0.035%
          HB2   LEU  123 - HN    ASP-  44  18.15 +/- 1.54   2.376% *  0.2772% (0.34   0.02   0.02) =   0.020%
          QD    LYS+ 102 - HN    ASP-  44  15.34 +/- 1.59   4.250% *  0.1423% (0.18   0.02   0.02) =   0.019%
    Distance limit 4.63 A violated in 14 structures by 1.79 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.555, support = 1.17, residual support = 5.37:
          HB2   LYS+  74 - HN    ASP-  44   6.87 +/- 0.56  31.448% * 62.8540% (0.65   1.17   5.49) =  72.019%  kept
          HD3   LYS+  74 - HN    ASP-  44   7.69 +/- 1.21  24.438% * 29.1183% (0.28   1.27   5.49) =  25.927%  kept
          HG2   LYS+  65 - HN    ASP-  44  10.96 +/- 3.10  14.725% *  1.5655% (0.95   0.02   0.02) =   0.840%  kept
          QG2   THR   26 - HN    ASP-  44  12.20 +/- 2.53   7.362% *  1.4842% (0.90   0.02   0.02) =   0.398%  kept
          QD    LYS+  66 - HN    ASP-  44  12.72 +/- 1.94   6.403% *  1.4842% (0.90   0.02   0.02) =   0.346%  kept
          HD2   LYS+ 121 - HN    ASP-  44  15.71 +/- 1.75   2.970% *  1.6222% (0.98   0.02   0.02) =   0.176%  kept
          HG    LEU  104 - HN    ASP-  44  13.76 +/- 2.30   6.188% *  0.6804% (0.41   0.02   0.02) =   0.153%  kept
          HB3   LYS+ 121 - HN    ASP-  44  15.23 +/- 2.35   3.280% *  0.6804% (0.41   0.02   0.02) =   0.081%
          HB3   LYS+ 111 - HN    ASP-  44  15.94 +/- 2.19   3.186% *  0.5108% (0.31   0.02   0.02) =   0.059%
    Distance limit 4.78 A violated in 7 structures by 1.24 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.91, residual support = 39.5:
      O   HB3   ASP-  44 - HN    ASP-  44   3.19 +/- 0.47  70.971% * 99.1884% (0.99  10.0   3.91  39.48) =  99.969%  kept
          HB2   LEU   63 - HN    ASP-  44   8.80 +/- 2.52   7.861% *  0.0947% (0.95   1.0   0.02   0.02) =   0.011%
          HB3   PRO   93 - HN    ASP-  44   9.35 +/- 1.58   4.001% *  0.0836% (0.84   1.0   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    ASP-  44  10.61 +/- 2.03   3.500% *  0.0947% (0.95   1.0   0.02   0.02) =   0.005%
          HB3   LEU   80 - HN    ASP-  44  11.83 +/- 3.05   2.770% *  0.0868% (0.87   1.0   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    ASP-  44  11.27 +/- 1.60   1.931% *  0.0868% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ASP-  44  13.74 +/- 2.38   1.237% *  0.0727% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    ASP-  44  11.60 +/- 1.64   2.080% *  0.0278% (0.28   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  17.26 +/- 2.79   0.824% *  0.0647% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ASP-  44  15.15 +/- 3.29   2.552% *  0.0198% (0.20   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  18.41 +/- 1.76   0.472% *  0.0992% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  15.44 +/- 0.94   0.744% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.80 +/- 0.83   0.424% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  16.46 +/- 1.37   0.634% *  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 = 0.895, support = 4.74, residual support = 16.2:
          QG1   VAL   43 - HN    ASP-  44   3.94 +/- 0.78  52.553% * 91.2551% (0.90   4.82  16.51) =  98.372%  kept
          QG2   THR   46 - HN    ASP-  44   6.18 +/- 0.82  18.047% *  1.9898% (0.99   0.10   0.02) =   0.737%  kept
          QG1   VAL   41 - HN    ASP-  44   8.54 +/- 0.77   6.614% *  4.7444% (0.73   0.31   0.02) =   0.644%  kept
          QD2   LEU  104 - HN    ASP-  44  11.62 +/- 2.36   5.325% *  1.1832% (0.61   0.09   0.02) =   0.129%  kept
          QG2   VAL   18 - HN    ASP-  44  10.21 +/- 5.07  10.572% *  0.4212% (1.00   0.02   0.02) =   0.091%
          QD1   ILE   19 - HN    ASP-  44  11.65 +/- 2.62   3.054% *  0.3226% (0.76   0.02   0.02) =   0.020%
          HG    LEU   31 - HN    ASP-  44  11.44 +/- 2.40   3.835% *  0.0835% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.642, support = 3.86, residual support = 16.3:
          QG2   VAL   43 - HN    ASP-  44   3.45 +/- 0.40  80.098% * 87.9467% (0.65   3.90  16.51) =  98.735%  kept
          QG2   VAL   83 - HN    ASP-  44   8.99 +/- 2.44   9.056% *  7.3691% (0.31   0.68   0.02) =   0.935%  kept
          QD1   ILE   89 - HN    ASP-  44  10.20 +/- 2.32   4.903% *  4.1510% (0.14   0.88   0.02) =   0.285%  kept
          QD2   LEU   31 - HN    ASP-  44   9.48 +/- 2.11   5.943% *  0.5332% (0.76   0.02   0.02) =   0.044%
    Distance limit 3.56 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.52, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   7.97 +/- 0.36  75.133% * 36.5033% (0.53   0.02   0.02) =  78.028%  kept
          HA    ASP-  78 - HN    VAL   43  15.32 +/- 1.68  11.601% * 42.0822% (0.61   0.02   0.02) =  13.890%  kept
          HA    THR   23 - HN    VAL   43  15.83 +/- 2.72  13.266% * 21.4145% (0.31   0.02   0.02) =   8.082%  kept
    Distance limit 4.67 A violated in 20 structures by 3.23 A, eliminated.
    Peak unassigned.
 
    Peak 1011 (5.33, 9.16, 125.94 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.5, residual support = 16.0:
          HA    MET   96 - HN    VAL   43   4.83 +/- 0.57 100.000% *100.0000% (0.53   1.50  16.03) = 100.000%  kept
    Distance limit 4.67 A violated in 1 structures by 0.28 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 2.95, residual support = 16.0:
          HB2   MET   96 - HN    VAL   43   3.10 +/- 0.93  69.832% * 94.1679% (0.97   2.96  16.03) =  99.596%  kept
          HB3   ASP-  76 - HN    VAL   43  12.30 +/- 1.43   5.092% *  3.6527% (0.49   0.23   0.02) =   0.282%  kept
          HB    VAL   70 - HN    VAL   43   9.18 +/- 2.07   5.996% *  0.5919% (0.90   0.02   0.02) =   0.054%
          HB2   ASP- 105 - HN    VAL   43   8.72 +/- 1.55  15.501% *  0.1835% (0.28   0.02   0.02) =   0.043%
          QG    GLN   17 - HN    VAL   43  15.86 +/- 4.40   1.540% *  0.5512% (0.84   0.02   0.02) =   0.013%
          HG2   GLU- 100 - HN    VAL   43  14.06 +/- 1.29   1.214% *  0.3736% (0.57   0.02   0.02) =   0.007%
          HB2   GLU-  25 - HN    VAL   43  18.22 +/- 2.50   0.825% *  0.4792% (0.73   0.02   0.02) =   0.006%
    Distance limit 4.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.21, residual support = 61.0:
      O   HB    VAL   43 - HN    VAL   43   2.84 +/- 0.45  94.784% * 99.7821% (0.87  10.0   4.21  60.96) =  99.997%  kept
          HB2   LYS+  99 - HN    VAL   43  10.08 +/- 0.96   2.579% *  0.0879% (0.76   1.0   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    VAL   43  17.36 +/- 1.89   0.506% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  14.07 +/- 2.95   1.396% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  17.35 +/- 3.93   0.735% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.806, support = 4.94, residual support = 33.7:
          HB    VAL   42 - HN    VAL   43   4.45 +/- 0.16  26.376% * 67.4895% (0.84   5.67  39.13) =  82.601%  kept
          HB3   LEU   73 - HN    VAL   43   7.77 +/- 2.33  12.784% * 18.1136% (0.90   1.42   6.16) =  10.745%  kept
          HB3   ASP-  44 - HN    VAL   43   6.48 +/- 0.75  10.202% *  8.6463% (0.25   2.43  16.51) =   4.093%  kept
          HG    LEU   98 - HN    VAL   43   6.75 +/- 2.03  16.158% *  2.1627% (0.49   0.31   0.02) =   1.621%  kept
          QB    LEU   98 - HN    VAL   43   5.87 +/- 1.13  14.468% *  0.9139% (0.18   0.37   0.02) =   0.614%  kept
          HB2   LEU   63 - HN    VAL   43  10.18 +/- 2.42   3.847% *  0.8233% (0.18   0.33   0.02) =   0.147%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.14 +/- 1.51   6.174% *  0.2845% (1.00   0.02   0.02) =   0.082%
          HG3   LYS+  65 - HN    VAL   43  13.49 +/- 2.95   1.909% *  0.2382% (0.84   0.02   0.02) =   0.021%
          HB3   PRO   93 - HN    VAL   43  11.09 +/- 1.31   2.154% *  0.1845% (0.65   0.02   0.02) =   0.018%
          HG3   LYS+ 102 - HN    VAL   43  12.71 +/- 1.21   1.284% *  0.2633% (0.92   0.02   0.02) =   0.016%
          HB2   LYS+ 112 - HN    VAL   43  15.65 +/- 2.84   1.217% *  0.2752% (0.97   0.02   0.02) =   0.016%
          QB    ALA   84 - HN    VAL   43  12.93 +/- 2.00   1.637% *  0.1730% (0.61   0.02   0.02) =   0.013%
          HG3   LYS+  33 - HN    VAL   43  14.23 +/- 1.56   0.934% *  0.2179% (0.76   0.02   0.02) =   0.009%
          QB    ALA  124 - HN    VAL   43  17.21 +/- 2.63   0.545% *  0.1070% (0.38   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    VAL   43  20.48 +/- 2.22   0.310% *  0.1070% (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 = 0.886, support = 5.15, residual support = 57.6:
          QG1   VAL   43 - HN    VAL   43   2.46 +/- 0.76  70.651% * 66.8300% (0.90   5.32  60.96) =  94.452%  kept
          QG1   VAL   41 - HN    VAL   43   6.23 +/- 0.58   7.875% * 28.8288% (0.73   2.83   1.33) =   4.541%  kept
          QD2   LEU  104 - HN    VAL   43   8.32 +/- 2.27  13.897% *  3.5138% (0.61   0.41   0.02) =   0.977%  kept
          QG2   THR   46 - HN    VAL   43   9.33 +/- 0.83   2.469% *  0.2779% (0.99   0.02   0.02) =   0.014%
          QG2   VAL   18 - HN    VAL   43  11.95 +/- 4.08   1.536% *  0.2797% (1.00   0.02   0.02) =   0.009%
          QD1   ILE   19 - HN    VAL   43  11.96 +/- 1.94   1.168% *  0.2143% (0.76   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    VAL   43  10.06 +/- 2.60   2.405% *  0.0555% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.678, support = 1.91, residual support = 1.92:
          QG2   VAL   41 - HN    VAL   43   5.37 +/- 0.77  21.284% * 78.3870% (0.73   2.22   1.33) =  81.753%  kept
          QD1   LEU   73 - HN    VAL   43   6.43 +/- 1.67  20.109% * 13.7485% (0.45   0.63   6.16) =  13.547%  kept
          QD1   LEU   63 - HN    VAL   43   7.94 +/- 2.92  12.716% *  5.5624% (0.45   0.25   0.02) =   3.466%  kept
          QD2   LEU   98 - HN    VAL   43   5.42 +/- 1.84  24.613% *  0.5128% (0.53   0.02   0.02) =   0.619%  kept
          QD2   LEU   63 - HN    VAL   43   8.16 +/- 2.61   9.946% *  0.9554% (0.98   0.02   0.02) =   0.466%  kept
          QD1   LEU   80 - HN    VAL   43  12.26 +/- 3.41   3.484% *  0.5128% (0.53   0.02   0.02) =   0.088%
          QD2   LEU  115 - HN    VAL   43   9.92 +/- 1.25   4.203% *  0.1707% (0.18   0.02   0.02) =   0.035%
          QD2   LEU   80 - HN    VAL   43  11.53 +/- 2.92   3.644% *  0.1504% (0.15   0.02   0.02) =   0.027%
    Distance limit 4.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.962, support = 5.08, residual support = 39.0:
          QG1   VAL   42 - HN    VAL   43   2.96 +/- 0.49  87.189% * 96.6357% (0.97   5.09  39.13) =  99.660%  kept
          QB    ALA   64 - HN    VAL   43   7.22 +/- 1.32  10.326% *  2.7015% (0.20   0.69   0.02) =   0.330%  kept
          QB    ALA   47 - HN    VAL   43  12.77 +/- 0.65   1.264% *  0.3926% (1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HN    VAL   43  15.37 +/- 3.06   1.221% *  0.2703% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.92 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 = 0.873, support = 0.02, residual support = 0.02:
          QG2   VAL   83 - HN    VAL   43   9.87 +/- 2.94  30.169% * 38.1246% (1.00   0.02   0.02) =  35.193%  kept
          QD2   LEU   31 - HN    VAL   43   8.54 +/- 2.21  41.437% * 27.6841% (0.73   0.02   0.02) =  35.101%  kept
          QD1   ILE   89 - HN    VAL   43  10.81 +/- 2.63  28.394% * 34.1913% (0.90   0.02   0.02) =  29.706%  kept
    Distance limit 4.14 A violated in 18 structures by 2.96 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.931, support = 5.85, residual support = 27.3:
          HB    VAL   41 - HN    VAL   42   3.51 +/- 0.66  52.835% * 89.5836% (0.97   6.01  28.53) =  95.417%  kept
          HB2   LEU   71 - HN    VAL   42   6.59 +/- 2.48  25.764% *  8.7071% (0.22   2.53   1.33) =   4.522%  kept
          HG12  ILE  103 - HN    VAL   42   9.25 +/- 1.09   3.878% *  0.3088% (1.00   0.02   0.02) =   0.024%
          QB    LYS+  66 - HN    VAL   42  11.23 +/- 1.62   1.952% *  0.2579% (0.84   0.02   0.02) =   0.010%
          QB    LYS+  65 - HN    VAL   42  10.80 +/- 1.90   3.216% *  0.0770% (0.25   0.02   0.02) =   0.005%
          HG3   PRO   68 - HN    VAL   42  12.45 +/- 2.37   3.016% *  0.0687% (0.22   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    VAL   42  11.37 +/- 1.07   1.851% *  0.1053% (0.34   0.02   0.02) =   0.004%
          HG    LEU  123 - HN    VAL   42  16.52 +/- 2.83   0.626% *  0.2769% (0.90   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    VAL   42   9.94 +/- 1.92   3.389% *  0.0476% (0.15   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    VAL   42  11.09 +/- 0.92   2.011% *  0.0611% (0.20   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    VAL   42  16.10 +/- 1.40   0.592% *  0.1748% (0.57   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    VAL   42  20.25 +/- 1.45   0.314% *  0.2769% (0.90   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL   42  19.62 +/- 3.32   0.556% *  0.0541% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.40 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 = 0.977, support = 6.1, residual support = 88.3:
      O   HB    VAL   42 - HN    VAL   42   2.79 +/- 0.38  61.525% * 91.6634% (0.98  10.0   6.16  89.37) =  98.800%  kept
          QB    LEU   98 - HN    VAL   42   6.06 +/- 1.49  10.484% *  3.7302% (0.57   1.0   1.41   0.36) =   0.685%  kept
          HB3   LEU   73 - HN    VAL   42   7.30 +/- 1.42   7.212% *  3.9811% (0.95   1.0   0.90   0.62) =   0.503%  kept
          HG    LEU   98 - HN    VAL   42   7.19 +/- 2.06  10.913% *  0.0127% (0.14   1.0   0.02   0.36) =   0.002%
          HG3   LYS+  33 - HN    VAL   42  11.50 +/- 1.61   1.129% *  0.0933% (1.00   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    VAL   42  10.92 +/- 1.06   1.317% *  0.0715% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    VAL   42  12.63 +/- 2.17   0.947% *  0.0917% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    VAL   42   9.06 +/- 1.64   2.817% *  0.0289% (0.31   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   42  13.16 +/- 1.08   0.706% *  0.0863% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   42  17.89 +/- 3.11   0.337% *  0.0811% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  18.15 +/- 2.51   0.314% *  0.0781% (0.84   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  14.71 +/- 3.35   0.689% *  0.0260% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.09 +/- 1.37   0.521% *  0.0208% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.20 +/- 3.52   0.611% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  15.25 +/- 1.83   0.475% *  0.0185% (0.20   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 = 1.2, residual support = 1.7:
          QD1   LEU   40 - HN    VAL   42   4.33 +/- 1.13  71.237% * 97.8756% (0.98   1.21   1.71) =  99.475%  kept
          QD2   LEU   67 - HN    VAL   42   8.07 +/- 2.13  26.394% *  1.3212% (0.80   0.02   0.02) =   0.498%  kept
          QG1   VAL  108 - HN    VAL   42  14.30 +/- 1.09   2.369% *  0.8032% (0.49   0.02   0.02) =   0.027%
    Distance limit 4.63 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.81, support = 5.22, residual support = 33.7:
          QG1   VAL   41 - HN    VAL   42   4.18 +/- 0.34  38.901% * 45.9165% (0.73   5.42  28.53) =  50.400%  kept
          QG1   VAL   43 - HN    VAL   42   4.61 +/- 1.02  33.144% * 52.7415% (0.90   5.04  39.13) =  49.324%  kept
          QD2   LEU  104 - HN    VAL   42   8.40 +/- 1.81  10.898% *  0.6537% (0.61   0.09   0.02) =   0.201%  kept
          QG2   VAL   18 - HN    VAL   42  10.56 +/- 4.24   4.865% *  0.2327% (1.00   0.02   0.02) =   0.032%
          QD1   ILE   19 - HN    VAL   42   9.77 +/- 2.79   4.179% *  0.1783% (0.76   0.02   0.02) =   0.021%
          QG2   THR   46 - HN    VAL   42  10.91 +/- 1.00   2.246% *  0.2312% (0.99   0.02   0.02) =   0.015%
          HG    LEU   31 - HN    VAL   42   8.84 +/- 2.00   5.766% *  0.0462% (0.20   0.02   0.02) =   0.008%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 5.72, residual support = 27.3:
          QG2   VAL   41 - HN    VAL   42   3.42 +/- 0.43  46.749% * 85.6211% (0.73   5.97  28.53) =  95.605%  kept
          QD2   LEU   98 - HN    VAL   42   5.62 +/- 1.99  21.357% *  3.8495% (0.53   0.37   0.36) =   1.964%  kept
          QD1   LEU   73 - HN    VAL   42   6.29 +/- 1.02  10.762% *  5.5705% (0.45   0.63   0.62) =   1.432%  kept
          QD2   LEU   63 - HN    VAL   42   7.32 +/- 1.99   9.025% *  4.4437% (0.98   0.23   0.02) =   0.958%  kept
          QD1   LEU   63 - HN    VAL   42   7.77 +/- 2.05   6.293% *  0.1772% (0.45   0.02   0.02) =   0.027%
          QD1   LEU   80 - HN    VAL   42  13.50 +/- 3.68   1.777% *  0.2079% (0.53   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    VAL   42  11.31 +/- 1.72   2.177% *  0.0692% (0.18   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   42  12.66 +/- 3.12   1.861% *  0.0610% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 89.4:
          QG1   VAL   42 - HN    VAL   42   3.53 +/- 0.43  97.491% * 99.2601% (0.87   5.45  89.37) =  99.991%  kept
          QB    ALA   47 - HN    VAL   42  14.92 +/- 0.90   1.477% *  0.3209% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HN    VAL   42  17.56 +/- 3.00   1.032% *  0.4190% (1.00   0.02   0.02) =   0.004%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1025 (0.15, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.583, support = 5.11, residual support = 84.3:
          QG2   VAL   42 - HN    VAL   42   3.18 +/- 0.53  48.672% * 87.5351% (0.61   5.35  89.37) =  94.246%  kept
          QG2   VAL   70 - HN    VAL   42   3.83 +/- 1.90  44.275% *  4.6266% (0.14   1.27   0.60) =   4.531%  kept
          QG2   VAL   75 - HN    VAL   42   6.37 +/- 1.02   7.053% *  7.8383% (0.45   0.65   0.02) =   1.223%  kept
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 4.63, residual support = 75.0:
      O   HB    VAL   41 - HN    VAL   41   3.34 +/- 0.33  66.865% * 95.4749% (0.90  10.0   4.67  75.81) =  98.833%  kept
          HB2   LEU   71 - HN    VAL   41   7.26 +/- 2.37  18.721% *  3.9673% (0.61   1.0   1.23   2.81) =   1.150%  kept
          HG12  ILE  103 - HN    VAL   41   8.48 +/- 0.95   5.094% *  0.0814% (0.76   1.0   0.02   0.02) =   0.006%
          QB    LYS+ 102 - HN    VAL   41   9.17 +/- 1.37   4.344% *  0.0814% (0.76   1.0   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    VAL   41  13.16 +/- 1.92   1.344% *  0.1055% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    VAL   41  13.45 +/- 1.86   1.237% *  0.0689% (0.65   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  16.48 +/- 3.92   0.962% *  0.0518% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   41  19.04 +/- 1.46   0.410% *  0.1007% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   41  16.19 +/- 3.55   0.812% *  0.0164% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.19 +/- 1.87   0.211% *  0.0518% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.194, support = 4.18, residual support = 20.1:
          HG    LEU   40 - HN    VAL   41   3.84 +/- 0.63  55.055% * 70.2281% (0.18   4.35  20.98) =  95.813%  kept
          HG    LEU   73 - HN    VAL   41   9.75 +/- 2.02   7.158% * 16.2192% (0.61   0.29   0.02) =   2.877%  kept
          QB    ALA   61 - HN    VAL   41  12.09 +/- 3.61  11.017% *  1.8396% (1.00   0.02   0.02) =   0.502%  kept
          HB3   LEU   67 - HN    VAL   41  10.54 +/- 2.96   5.945% *  1.7441% (0.95   0.02   0.02) =   0.257%  kept
          HG12  ILE   19 - HN    VAL   41  11.63 +/- 3.57   4.761% *  1.6535% (0.90   0.02   0.02) =   0.195%  kept
          HG2   LYS+ 102 - HN    VAL   41  10.83 +/- 1.40   3.308% *  0.8974% (0.49   0.02   0.02) =   0.074%
          QG    LYS+  66 - HN    VAL   41  13.64 +/- 2.15   1.856% *  1.4763% (0.80   0.02   0.02) =   0.068%
          HD3   LYS+ 121 - HN    VAL   41  14.06 +/- 4.66   3.887% *  0.6289% (0.34   0.02   0.02) =   0.061%
          HG    LEU   80 - HN    VAL   41  18.17 +/- 4.52   1.050% *  1.7793% (0.97   0.02   0.02) =   0.046%
          HB3   LYS+  74 - HN    VAL   41  12.62 +/- 2.02   2.631% *  0.5691% (0.31   0.02   0.02) =   0.037%
          QB    ALA  110 - HN    VAL   41  17.49 +/- 1.84   0.851% *  1.7441% (0.95   0.02   0.02) =   0.037%
          HB2   LEU   80 - HN    VAL   41  18.15 +/- 4.00   0.977% *  0.8974% (0.49   0.02   0.02) =   0.022%
          HB3   LEU  115 - HN    VAL   41  14.70 +/- 1.75   1.505% *  0.3229% (0.18   0.02   0.02) =   0.012%
    Distance limit 3.75 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.781, support = 1.51, residual support = 6.86:
          QB    ALA   34 - HN    VAL   41   5.03 +/- 0.95  46.699% * 73.6228% (0.90   1.54   8.41) =  81.080%  kept
          QG2   THR   39 - HN    VAL   41   5.72 +/- 0.96  36.627% * 21.1339% (0.28   1.43   0.27) =  18.255%  kept
          HG3   LYS+  38 - HN    VAL   41   9.79 +/- 0.96   7.717% *  2.8858% (0.53   0.10   0.02) =   0.525%  kept
          QG2   THR   23 - HN    VAL   41  15.64 +/- 2.43   2.982% *  1.0535% (0.99   0.02   0.02) =   0.074%
          QG2   ILE   56 - HN    VAL   41  14.86 +/- 1.61   2.482% *  0.7718% (0.73   0.02   0.02) =   0.045%
          QG2   THR   77 - HN    VAL   41  14.09 +/- 1.23   2.484% *  0.2366% (0.22   0.02   0.02) =   0.014%
          QB    ALA   91 - HN    VAL   41  18.64 +/- 1.19   1.009% *  0.2955% (0.28   0.02   0.02) =   0.007%
    Distance limit 4.44 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.919, support = 4.61, residual support = 20.8:
          QD2   LEU   40 - HN    VAL   41   2.56 +/- 0.77  69.314% * 91.8714% (0.92   4.67  20.98) =  98.759%  kept
          QD2   LEU   71 - HN    VAL   41   6.83 +/- 1.93  11.563% *  6.3611% (0.65   0.46   2.81) =   1.141%  kept
          QD1   LEU   67 - HN    VAL   41   8.52 +/- 2.31   7.677% *  0.4035% (0.95   0.02   0.02) =   0.048%
          QG2   ILE  103 - HN    VAL   41   7.97 +/- 0.85   4.324% *  0.4228% (0.99   0.02   0.02) =   0.028%
          QD1   ILE  103 - HN    VAL   41   8.38 +/- 1.19   3.567% *  0.2244% (0.53   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HN    VAL   41  13.98 +/- 1.73   0.696% *  0.4256% (1.00   0.02   0.02) =   0.005%
          HB    VAL   75 - HN    VAL   41  11.45 +/- 1.08   1.630% *  0.1455% (0.34   0.02   0.02) =   0.004%
          QG2   ILE  119 - HN    VAL   41  12.78 +/- 2.43   1.229% *  0.1455% (0.34   0.02   0.02) =   0.003%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.53, residual support = 75.5:
          QG1   VAL   41 - HN    VAL   41   2.33 +/- 0.44  77.068% * 92.3595% (1.00   4.55  75.81) =  99.528%  kept
          QG1   VAL   43 - HN    VAL   41   6.72 +/- 1.08   4.894% *  6.3439% (0.95   0.33   1.33) =   0.434%  kept
          QD2   LEU   73 - HN    VAL   41   7.54 +/- 1.32   3.893% *  0.1819% (0.45   0.02   0.02) =   0.010%
          QD2   LEU  104 - HN    VAL   41   6.12 +/- 1.34   7.800% *  0.0803% (0.20   0.02   0.02) =   0.009%
          QG2   VAL   18 - HN    VAL   41  12.55 +/- 3.09   1.540% *  0.3101% (0.76   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    VAL   41   9.06 +/- 1.58   1.888% *  0.2461% (0.61   0.02   0.02) =   0.006%
          QD1   ILE   19 - HN    VAL   41  10.52 +/- 2.33   1.970% *  0.1252% (0.31   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    VAL   41  14.05 +/- 0.92   0.487% *  0.2625% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  14.31 +/- 1.89   0.461% *  0.0903% (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 = 0.701, support = 3.98, residual support = 69.7:
          QG2   VAL   41 - HN    VAL   41   3.36 +/- 0.72  52.147% * 80.0523% (0.73   4.35  75.81) =  87.581%  kept
          QD2   LEU   98 - HN    VAL   41   4.79 +/- 1.62  31.642% * 18.5629% (0.53   1.39  26.53) =  12.323%  kept
          QD2   LEU   63 - HN    VAL   41   8.99 +/- 1.72   4.615% *  0.4968% (0.98   0.02   0.02) =   0.048%
          QD1   LEU   73 - HN    VAL   41   8.54 +/- 1.22   4.751% *  0.2272% (0.45   0.02   0.02) =   0.023%
          QD1   LEU   63 - HN    VAL   41   9.57 +/- 1.69   3.222% *  0.2272% (0.45   0.02   0.02) =   0.015%
          QD1   LEU   80 - HN    VAL   41  15.90 +/- 3.89   1.029% *  0.2666% (0.53   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    VAL   41  12.83 +/- 1.59   1.335% *  0.0888% (0.18   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    VAL   41  14.97 +/- 3.48   1.258% *  0.0782% (0.15   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   4.77 +/- 2.25  78.656% * 98.4023% (0.18   2.64   2.63) =  99.561%  kept
          QG2   THR  118 - HN    VAL   41   9.79 +/- 2.63  21.344% *  1.5977% (0.38   0.02   0.02) =   0.439%  kept
    Distance limit 4.98 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 = 0.668, support = 1.31, residual support = 14.7:
          HB2   SER   37 - HN    LEU   40   6.31 +/- 0.30  30.140% * 52.2662% (0.92   1.12   0.52) =  48.524%  kept
          HA    VAL   70 - HN    LEU   40   5.58 +/- 3.77  53.079% * 24.7375% (0.28   1.76  35.76) =  40.446%  kept
          HA1   GLY   16 - HN    LEU   40  13.26 +/- 6.65  15.751% * 22.7155% (0.98   0.46   0.02) =  11.021%  kept
          HA    GLN  116 - HN    LEU   40  18.24 +/- 2.35   1.030% *  0.2808% (0.28   0.02   0.02) =   0.009%
    Distance limit 4.68 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.407, support = 3.99, residual support = 23.4:
          HB    THR   39 - HN    LEU   40   3.79 +/- 0.51  78.859% * 83.9001% (0.41   4.07  23.99) =  97.452%  kept
          HB3   SER   37 - HN    LEU   40   7.28 +/- 0.70  13.835% * 12.1046% (0.28   0.87   0.52) =   2.467%  kept
          HA    GLN   30 - HN    LEU   40  11.40 +/- 1.47   3.943% *  0.9489% (0.95   0.02   0.02) =   0.055%
          QB    SER   13 - HN    LEU   40  16.24 +/- 3.55   1.869% *  0.4497% (0.45   0.02   0.02) =   0.012%
          HB3   SER   82 - HN    LEU   40  24.33 +/- 3.68   0.400% *  0.7666% (0.76   0.02   0.02) =   0.005%
          HB2   CYS   53 - HN    LEU   40  22.87 +/- 2.61   0.484% *  0.5679% (0.57   0.02   0.02) =   0.004%
          HD3   PRO   52 - HN    LEU   40  27.14 +/- 2.35   0.269% *  0.9832% (0.98   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   40  25.42 +/- 3.19   0.342% *  0.2789% (0.28   0.02   0.02) =   0.001%
    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 = 0.489, support = 0.792, residual support = 7.16:
          QE    LYS+  99 - HN    LEU   40   5.04 +/- 1.62  50.845% * 47.1952% (0.57   0.65  10.27) =  67.793%  kept
          QE    LYS+  38 - HN    LEU   40   7.34 +/- 1.53  24.424% * 44.9913% (0.31   1.13   0.59) =  31.044%  kept
          HB2   PHE   97 - HN    LEU   40  10.52 +/- 1.66   9.045% *  2.4796% (0.97   0.02   1.65) =   0.634%  kept
          QE    LYS+ 106 - HN    LEU   40  14.69 +/- 2.28   5.906% *  1.4546% (0.57   0.02   0.02) =   0.243%  kept
          HB3   TRP   27 - HN    LEU   40  14.24 +/- 1.69   2.396% *  2.5185% (0.98   0.02   0.02) =   0.170%  kept
          QE    LYS+ 102 - HN    LEU   40  12.78 +/- 2.08   5.258% *  0.3964% (0.15   0.02   0.02) =   0.059%
          HB3   PHE   60 - HN    LEU   40  16.22 +/- 3.26   2.126% *  0.9643% (0.38   0.02   0.02) =   0.058%
    Distance limit 4.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 102.2:
      O   HB2   LEU   40 - HN    LEU   40   2.72 +/- 0.31  96.722% * 99.7221% (0.97  10.0   4.92 102.23) =  99.998%  kept
          HB3   MET   96 - HN    LEU   40  13.50 +/- 1.03   0.905% *  0.0954% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    LEU   40  16.41 +/- 4.66   0.752% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    LEU   40  14.99 +/- 5.00   1.110% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  25.07 +/- 4.59   0.263% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  22.85 +/- 4.74   0.248% *  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 = 0.637, support = 4.92, residual support = 102.2:
      O   HB3   LEU   40 - HN    LEU   40   2.44 +/- 0.44  74.605% * 68.7800% (0.61  10.0   4.82 102.23) =  90.493%  kept
          HG    LEU   40 - HN    LEU   40   4.30 +/- 0.34  17.571% * 30.6507% (0.92   1.0   5.86 102.23) =   9.498%  kept
          HG    LEU   67 - HN    LEU   40  10.64 +/- 2.81   1.827% *  0.1112% (0.98   1.0   0.02   0.02) =   0.004%
          QB    ALA  120 - HN    LEU   40  15.25 +/- 3.30   0.681% *  0.0947% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   40  13.24 +/- 1.66   0.914% *  0.0642% (0.57   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LEU   40  11.97 +/- 2.08   0.897% *  0.0508% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   40  17.57 +/- 1.85   0.358% *  0.1047% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40  10.27 +/- 3.34   1.905% *  0.0175% (0.15   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU   40  13.26 +/- 3.11   0.935% *  0.0315% (0.28   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   40  18.25 +/- 1.68   0.307% *  0.0947% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 3.42 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 = 0.478, support = 3.15, residual support = 15.3:
          QG2   THR   39 - HN    LEU   40   3.39 +/- 0.63  65.809% * 30.2017% (0.28   3.99  23.99) =  63.110%  kept
          QB    ALA   34 - HN    LEU   40   5.50 +/- 0.83  23.121% * 39.7189% (0.90   1.63   0.46) =  29.160%  kept
          HG3   LYS+  38 - HN    LEU   40   7.51 +/- 0.83   8.400% * 28.8731% (0.53   2.02   0.59) =   7.702%  kept
          QG2   THR   23 - HN    LEU   40  16.77 +/- 2.45   0.885% *  0.5391% (0.99   0.02   0.02) =   0.015%
          QG2   ILE   56 - HN    LEU   40  17.08 +/- 1.87   0.743% *  0.3949% (0.73   0.02   0.02) =   0.009%
          QG2   THR   77 - HN    LEU   40  16.75 +/- 1.25   0.707% *  0.1211% (0.22   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    LEU   40  21.48 +/- 1.36   0.335% *  0.1512% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.908, support = 1.29, residual support = 18.3:
          QD1   LEU   71 - HN    LEU   40   5.20 +/- 3.19  43.725% * 43.9205% (0.98   1.07   1.80) =  50.858%  kept
          QG1   VAL   70 - HN    LEU   40   6.02 +/- 3.08  34.302% * 53.6643% (0.84   1.53  35.76) =  48.749%  kept
          HB3   LEU  104 - HN    LEU   40  10.43 +/- 2.43  13.555% *  0.7745% (0.92   0.02   0.02) =   0.278%  kept
          QD1   LEU  123 - HN    LEU   40  13.65 +/- 4.18   2.569% *  0.8223% (0.98   0.02   0.02) =   0.056%
          QG1   VAL   18 - HN    LEU   40  12.29 +/- 3.81   2.477% *  0.6092% (0.73   0.02   0.02) =   0.040%
          HB3   LEU   63 - HN    LEU   40  12.83 +/- 3.03   3.372% *  0.2092% (0.25   0.02   0.02) =   0.019%
    Distance limit 4.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.634, support = 4.09, residual support = 78.1:
          QD2   LEU   40 - HN    LEU   40   3.99 +/- 0.56  50.559% * 65.9481% (0.53   4.97 102.23) =  75.970%  kept
          QD2   LEU   71 - HN    LEU   40   5.91 +/- 3.02  32.609% * 32.1659% (0.98   1.30   1.80) =  23.899%  kept
          QD1   LEU   67 - HN    LEU   40   8.82 +/- 2.31   8.611% *  0.2854% (0.57   0.02   0.02) =   0.056%
          QD1   ILE  103 - HN    LEU   40  11.57 +/- 1.42   2.403% *  0.4654% (0.92   0.02   0.02) =   0.025%
          QG2   ILE  103 - HN    LEU   40  11.13 +/- 1.22   2.716% *  0.3463% (0.69   0.02   0.02) =   0.021%
          QG2   ILE  119 - HN    LEU   40  13.92 +/- 3.19   2.069% *  0.3853% (0.76   0.02   0.02) =   0.018%
          HG3   LYS+  74 - HN    LEU   40  15.60 +/- 2.45   1.033% *  0.4037% (0.80   0.02   0.02) =   0.010%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.14, residual support = 35.8:
          QG2   VAL   70 - HN    LEU   40   5.25 +/- 2.59 100.000% *100.0000% (0.57   6.14  35.76) = 100.000%  kept
    Distance limit 4.53 A violated in 2 structures by 0.87 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.48, support = 1.81, residual support = 3.12:
          HA    ALA   34 - HN    THR   39   3.51 +/- 0.74  79.581% * 19.2229% (0.22   1.73   4.96) =  55.354%  kept
          HA    GLU-  36 - HN    THR   39   6.63 +/- 0.20  15.928% * 77.2983% (0.80   1.93   0.85) =  44.550%  kept
          HA    ALA  124 - HN    THR   39  19.96 +/- 6.81   1.067% *  0.9661% (0.97   0.02   0.02) =   0.037%
          HA    ASN   28 - HN    THR   39  12.91 +/- 0.83   2.133% *  0.3757% (0.38   0.02   0.02) =   0.029%
          HA    ARG+  54 - HN    THR   39  26.35 +/- 3.97   0.440% *  0.8978% (0.90   0.02   0.02) =   0.014%
          HA    LYS+  81 - HN    THR   39  26.13 +/- 2.51   0.256% *  0.8978% (0.90   0.02   0.02) =   0.008%
          HA    LEU  115 - HN    THR   39  20.59 +/- 2.17   0.595% *  0.3415% (0.34   0.02   0.02) =   0.007%
    Distance limit 4.42 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.829, support = 3.26, residual support = 9.73:
          HA    SER   37 - HN    THR   39   4.20 +/- 0.16  58.218% * 56.9171% (0.90   3.26   4.51) =  73.118%  kept
          HA    LEU   40 - HN    THR   39   5.32 +/- 0.36  29.433% * 41.2715% (0.65   3.28  23.99) =  26.805%  kept
          HA    GLU-  15 - HN    THR   39  12.97 +/- 4.82   4.964% *  0.3250% (0.84   0.02   0.02) =   0.036%
          HA    GLN   17 - HN    THR   39  15.78 +/- 4.61   1.941% *  0.3490% (0.90   0.02   0.02) =   0.015%
          HA    SER   13 - HN    THR   39  16.85 +/- 4.51   1.496% *  0.3250% (0.84   0.02   0.02) =   0.011%
          HA    VAL   42 - HN    THR   39  11.31 +/- 0.40   3.016% *  0.1327% (0.34   0.02   0.02) =   0.009%
          HA    PRO   58 - HN    THR   39  21.98 +/- 3.16   0.583% *  0.3116% (0.80   0.02   0.02) =   0.004%
          HA    THR   46 - HN    THR   39  23.22 +/- 0.70   0.349% *  0.3681% (0.95   0.02   0.02) =   0.003%
    Distance limit 4.32 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 = 0.404, support = 3.85, residual support = 36.7:
      O   HB    THR   39 - HN    THR   39   2.91 +/- 0.63  57.517% * 91.0532% (0.41  10.0   3.93  38.54) =  94.453%  kept
          HB3   SER   37 - HN    THR   39   3.57 +/- 0.52  38.033% *  8.0647% (0.28   1.0   2.62   4.51) =   5.532%  kept
          HA    GLN   30 - HN    THR   39   9.14 +/- 1.74   3.306% *  0.2095% (0.95   1.0   0.02   0.02) =   0.012%
          QB    SER   13 - HN    THR   39  15.19 +/- 3.84   0.786% *  0.0993% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    THR   39  25.29 +/- 4.65   0.117% *  0.1693% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  30.01 +/- 2.13   0.063% *  0.2171% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.82 +/- 2.42   0.100% *  0.1254% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  27.66 +/- 3.13   0.077% *  0.0616% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.691, support = 3.99, residual support = 27.6:
          QG2   THR   39 - HN    THR   39   2.82 +/- 0.51  58.977% * 20.4217% (0.49   3.73  38.54) =  48.341%  kept
          QB    ALA   34 - HN    THR   39   3.85 +/- 0.49  26.925% * 24.2815% (1.00   2.17   4.96) =  26.241%  kept
          HG3   LYS+  38 - HN    THR   39   5.26 +/- 0.59  11.565% * 54.7407% (0.76   6.38  30.37) =  25.409%  kept
          HG13  ILE   19 - HN    THR   39  12.20 +/- 4.44   1.817% *  0.0445% (0.20   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    THR   39  16.25 +/- 2.17   0.390% *  0.1949% (0.87   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    THR   39  19.75 +/- 1.92   0.214% *  0.2074% (0.92   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    THR   39  23.46 +/- 1.00   0.114% *  0.1094% (0.49   0.02   0.02) =   0.000%
    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 = 221.0:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.01  93.186% * 99.7734% (0.80  10.0   6.63 221.00) =  99.995%  kept
          HA    GLU- 100 - HN    LYS+  38   7.01 +/- 2.71   6.443% *  0.0705% (0.57   1.0   0.02   0.02) =   0.005%
          HA    VAL   24 - HN    LYS+  38  17.39 +/- 1.16   0.204% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  25.17 +/- 5.21   0.089% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  26.10 +/- 3.27   0.078% *  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 = 221.0:
      O   HB2   LYS+  38 - HN    LYS+  38   3.07 +/- 0.18  94.161% * 99.7624% (1.00  10.0   5.95 221.00) =  99.998%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.39 +/- 1.01   0.966% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.26 +/- 1.22   1.644% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    LYS+  38  13.29 +/- 2.25   1.669% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  15.83 +/- 3.76   1.014% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.58 +/- 1.43   0.460% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  32.08 +/- 2.20   0.087% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 221.0:
      O   HB3   LYS+  38 - HN    LYS+  38   3.97 +/- 0.11  75.254% * 99.4497% (0.90  10.0   5.20 221.00) =  99.986%  kept
          HB3   GLN   30 - HN    LYS+  38  10.62 +/- 1.29   4.813% *  0.1099% (0.99   1.0   0.02   0.02) =   0.007%
          QB    LYS+  33 - HN    LYS+  38   6.72 +/- 0.55  16.460% *  0.0219% (0.20   1.0   0.02   0.02) =   0.005%
          HB3   PRO   58 - HN    LYS+  38  25.19 +/- 3.82   0.529% *  0.0994% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  38  17.67 +/- 1.53   1.017% *  0.0378% (0.34   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LYS+  38  25.70 +/- 3.10   0.344% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.54 +/- 1.27   0.207% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  21.01 +/- 5.66   0.922% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  25.56 +/- 2.64   0.307% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  31.97 +/- 1.97   0.149% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 220.9:
          HG2   LYS+  38 - HN    LYS+  38   3.30 +/- 0.30  87.108% * 98.4020% (0.65   5.85 221.00) =  99.965%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.12 +/- 1.73   7.849% *  0.2736% (0.53   0.02   0.02) =   0.025%
          HB2   LEU   31 - HN    LYS+  38  10.04 +/- 0.77   3.381% *  0.1158% (0.22   0.02   0.02) =   0.005%
          QG2   THR   77 - HN    LYS+  38  20.19 +/- 1.21   0.433% *  0.4919% (0.95   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    LYS+  38  25.94 +/- 3.79   0.243% *  0.4919% (0.95   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    LYS+  38  16.90 +/- 1.77   0.852% *  0.0802% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  29.72 +/- 2.69   0.133% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 30.4:
          HB2   LYS+  38 - HN    THR   39   4.31 +/- 0.18  81.508% * 99.2185% (1.00   6.05  30.37) =  99.976%  kept
          HG3   GLU-  29 - HN    THR   39  14.71 +/- 1.40   2.411% *  0.2383% (0.73   0.02   0.02) =   0.007%
          HB3   GLU-  29 - HN    THR   39  12.65 +/- 1.71   4.210% *  0.1119% (0.34   0.02   0.02) =   0.006%
          HB    VAL   70 - HN    THR   39  11.02 +/- 2.64   6.757% *  0.0649% (0.20   0.02   0.02) =   0.005%
          QG    GLN   17 - HN    THR   39  14.68 +/- 4.35   3.609% *  0.0818% (0.25   0.02   0.02) =   0.004%
          HB2   GLU-  25 - HN    THR   39  18.41 +/- 1.82   1.257% *  0.1119% (0.34   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    THR   39  30.43 +/- 1.96   0.249% *  0.1726% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.76, residual support = 29.4:
      O   HB3   SER   37 - HN    SER   37   2.97 +/- 0.56  75.646% * 93.6730% (0.99  10.0   3.80  29.75) =  98.528%  kept
          HB    THR   39 - HN    SER   37   5.69 +/- 0.92  17.724% *  5.9576% (0.99   1.0   1.27   4.51) =   1.468%  kept
          QB    SER   13 - HN    SER   37  14.73 +/- 4.29   1.137% *  0.0926% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    SER   37   8.21 +/- 1.35   4.869% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   37  21.65 +/- 3.19   0.248% *  0.0686% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  26.27 +/- 5.73   0.207% *  0.0722% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  29.50 +/- 3.40   0.100% *  0.0937% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  32.13 +/- 2.32   0.070% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 18.6:
          QB    GLU-  36 - HN    SER   37   3.27 +/- 0.27  85.780% * 98.3017% (1.00   3.71  18.63) =  99.967%  kept
          HB3   GLU-  29 - HN    SER   37  10.94 +/- 1.51   2.965% *  0.4593% (0.87   0.02   0.02) =   0.016%
          HG3   GLU- 100 - HN    SER   37   8.79 +/- 2.81   9.313% *  0.0927% (0.18   0.02   0.02) =   0.010%
          HG3   GLU-  29 - HN    SER   37  13.15 +/- 1.43   1.574% *  0.2577% (0.49   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HN    SER   37  23.43 +/- 2.82   0.268% *  0.5248% (0.99   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    SER   37  32.19 +/- 2.36   0.101% *  0.3637% (0.69   0.02   0.02) =   0.000%
    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 = 4.87, residual support = 20.7:
          HG2   LYS+  38 - HN    SER   37   4.89 +/- 0.18  75.605% * 97.5085% (0.38   4.87  20.77) =  99.883%  kept
          HG2   LYS+  99 - HN    SER   37   9.32 +/- 2.30  19.927% *  0.2965% (0.28   0.02   0.02) =   0.080%
          QG2   THR   77 - HN    SER   37  20.28 +/- 1.34   1.157% *  1.0569% (0.99   0.02   0.02) =   0.017%
          QG2   THR   23 - HN    SER   37  16.04 +/- 1.77   2.667% *  0.3637% (0.34   0.02   0.02) =   0.013%
          QB    ALA   88 - HN    SER   37  26.13 +/- 3.86   0.643% *  0.7743% (0.73   0.02   0.02) =   0.007%
    Distance limit 4.66 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.03, residual support = 51.9:
          HB2   ASN   35 - HN    GLU-  36   3.67 +/- 0.26  66.397% * 97.9481% (0.65   6.05  52.06) =  99.775%  kept
          QE    LYS+  33 - HN    GLU-  36   5.49 +/- 1.17  30.875% *  0.4343% (0.87   0.02   0.02) =   0.206%  kept
          HB2   ASN   28 - HN    GLU-  36  12.46 +/- 0.80   1.777% *  0.4736% (0.95   0.02   0.02) =   0.013%
          QE    LYS+  65 - HN    GLU-  36  21.34 +/- 2.48   0.438% *  0.4996% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    GLU-  36  25.91 +/- 6.69   0.325% *  0.4736% (0.95   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    GLU-  36  26.80 +/- 2.26   0.188% *  0.1708% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.82, residual support = 86.3:
          HG2   GLU-  36 - HN    GLU-  36   3.67 +/- 0.32  98.160% * 99.4312% (0.97   4.82  86.32) =  99.995%  kept
          HG3   MET   96 - HN    GLU-  36  17.39 +/- 1.58   1.052% *  0.3424% (0.80   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HN    GLU-  36  23.47 +/- 2.33   0.456% *  0.1605% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  27.43 +/- 3.19   0.331% *  0.0660% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.3:
      O   QB    GLU-  36 - HN    GLU-  36   2.09 +/- 0.06  95.856% * 99.6951% (0.90  10.0   7.31  86.32) =  99.998%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.60 +/- 2.73   2.055% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  36   9.49 +/- 1.10   1.216% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  36  11.68 +/- 1.04   0.614% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  23.52 +/- 3.32   0.079% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.10 +/- 0.68   0.152% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  32.31 +/- 2.78   0.028% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.646, support = 4.82, residual support = 86.3:
          HG3   GLU-  36 - HN    GLU-  36   3.70 +/- 0.54  80.325% * 97.3051% (0.65   4.82  86.32) =  99.933%  kept
          QG    GLU-  15 - HN    GLU-  36  12.13 +/- 4.79   8.077% *  0.2799% (0.45   0.02   0.02) =   0.029%
          QB    MET   11 - HN    GLU-  36  17.72 +/- 4.34   1.822% *  0.5598% (0.90   0.02   0.02) =   0.013%
          QG    GLU-  14 - HN    GLU-  36  14.28 +/- 4.72   5.291% *  0.1927% (0.31   0.02   0.02) =   0.013%
          HB3   PHE   72 - HN    GLU-  36  13.75 +/- 2.50   2.433% *  0.1557% (0.25   0.02   0.02) =   0.005%
          QG    GLU- 114 - HN    GLU-  36  23.93 +/- 2.70   0.418% *  0.3534% (0.57   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    GLU-  36  23.08 +/- 3.29   0.448% *  0.3038% (0.49   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  36  19.88 +/- 0.78   0.607% *  0.2129% (0.34   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    GLU-  36  29.52 +/- 1.76   0.192% *  0.4038% (0.65   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  28.33 +/- 2.57   0.215% *  0.1235% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  30.95 +/- 2.54   0.172% *  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  15.17 +/- 2.25  31.761% * 42.5614% (0.57   0.02   0.02) =  55.280%  kept
          HA2   GLY  101 - HD22  ASN   35   9.53 +/- 5.18  65.409% * 14.8773% (0.20   0.02   0.02) =  39.795%  kept
          HD2   PRO   93 - HD22  ASN   35  28.60 +/- 2.33   2.830% * 42.5614% (0.57   0.02   0.02) =   4.925%  kept
    Distance limit 4.95 A violated in 16 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.58, residual support = 54.7:
      O   HB2   ASN   35 - HD22  ASN   35   3.76 +/- 0.24  86.052% * 98.5208% (0.76  10.0   3.58  54.72) =  99.888%  kept
          QE    LYS+  33 - HD22  ASN   35   9.38 +/- 1.34   8.173% *  1.0830% (0.76   1.0   0.22   4.66) =   0.104%  kept
          HB2   ASN   28 - HD22  ASN   35  12.54 +/- 2.18   4.036% *  0.1118% (0.87   1.0   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HD22  ASN   35  25.12 +/- 7.72   0.847% *  0.1278% (0.99   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD22  ASN   35  22.71 +/- 3.17   0.590% *  0.1244% (0.96   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  27.32 +/- 3.27   0.302% *  0.0321% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.737, support = 1.6, residual support = 4.0:
          HA    GLN   32 - HD21  ASN   35   3.98 +/- 1.06  65.865% * 40.6021% (0.76   1.38   3.69) =  67.191%  kept
          HA    LYS+  33 - HD21  ASN   35   6.11 +/- 0.75  23.637% * 54.9902% (0.69   2.07   4.66) =  32.658%  kept
          HA    GLU-  29 - HD21  ASN   35   9.00 +/- 1.05   5.974% *  0.6449% (0.83   0.02   0.02) =   0.097%
          HA    VAL   18 - HD21  ASN   35  17.36 +/- 2.46   1.042% *  0.6698% (0.87   0.02   0.02) =   0.018%
          HA    VAL   70 - HD21  ASN   35  14.60 +/- 2.13   1.968% *  0.2898% (0.38   0.02   0.02) =   0.014%
          HB2   SER   82 - HD21  ASN   35  25.44 +/- 7.82   0.578% *  0.7128% (0.92   0.02   0.02) =   0.010%
          HA    ALA   88 - HD21  ASN   35  29.68 +/- 5.92   0.267% *  0.6183% (0.80   0.02   0.02) =   0.004%
          HA    SER   48 - HD21  ASN   35  29.79 +/- 3.10   0.192% *  0.7452% (0.96   0.02   0.02) =   0.004%
          HA    GLN  116 - HD21  ASN   35  25.37 +/- 3.23   0.327% *  0.2898% (0.38   0.02   0.02) =   0.002%
          HD2   PRO   52 - HD21  ASN   35  31.38 +/- 2.65   0.150% *  0.4372% (0.57   0.02   0.02) =   0.002%
    Distance limit 4.72 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 = 3.56, residual support = 54.3:
      O   HB2   ASN   35 - HD21  ASN   35   2.78 +/- 0.49  88.691% * 91.2598% (0.61  10.0   3.58  54.72) =  99.118%  kept
          QE    LYS+  33 - HD21  ASN   35   8.33 +/- 1.52   8.683% *  8.2492% (0.90   1.0   1.22   4.66) =   0.877%  kept
          HB2   ASN   28 - HD21  ASN   35  11.83 +/- 1.48   1.760% *  0.1452% (0.96   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HD21  ASN   35  25.05 +/- 7.80   0.386% *  0.1389% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD21  ASN   35  22.58 +/- 2.82   0.321% *  0.1505% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   35  27.03 +/- 2.97   0.159% *  0.0565% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.661, support = 4.3, residual support = 42.1:
      O   HA    GLN   32 - HN    GLN   32   2.78 +/- 0.07  58.230% * 73.3833% (0.65  10.0   4.39  44.65) =  92.818%  kept
          HA    LYS+  33 - HN    GLN   32   5.19 +/- 0.14   9.069% * 21.7075% (0.80   1.0   4.78  15.48) =   4.276%  kept
          HA    GLU-  29 - HN    GLN   32   3.46 +/- 0.16  30.720% *  4.3498% (0.92   1.0   0.83   0.02) =   2.903%  kept
          HA    VAL   18 - HN    GLN   32  13.98 +/- 1.78   0.536% *  0.1073% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   32  21.29 +/- 9.08   0.370% *  0.1112% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  13.81 +/- 2.15   0.660% *  0.0552% (0.49   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   32  25.59 +/- 3.81   0.092% *  0.1017% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  26.17 +/- 6.48   0.112% *  0.0779% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  23.78 +/- 3.77   0.148% *  0.0552% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.70 +/- 2.29   0.063% *  0.0509% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.14, residual support = 154.0:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.02  66.344% * 98.1480% (0.87  10.0   6.18 154.86) =  99.437%  kept
          HA    GLU-  29 - HN    LYS+  33   4.39 +/- 1.01  26.461% *  1.3736% (0.73   1.0   0.33   0.02) =   0.555%  kept
          HB2   SER   37 - HN    LYS+  33   7.88 +/- 0.99   3.668% *  0.0551% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    LYS+  33  13.20 +/- 2.47   1.478% *  0.1131% (1.00   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LYS+  33  13.59 +/- 2.39   0.837% *  0.0777% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LYS+  33  24.17 +/- 3.71   0.196% *  0.1131% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  22.79 +/- 8.26   0.278% *  0.0686% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  15.61 +/- 3.48   0.630% *  0.0224% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  26.41 +/- 3.75   0.109% *  0.0282% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.34, support = 3.99, residual support = 24.4:
      O   HA    ASN   28 - HN    GLU-  29   3.63 +/- 0.04  32.683% * 70.9246% (0.18  10.0   5.04  32.71) =  74.149%  kept
          HA    THR   26 - HN    GLU-  29   3.28 +/- 0.14  44.061% * 14.9818% (0.95   1.0   0.78   0.77) =  21.116%  kept
          HA    GLU-  25 - HN    GLU-  29   4.69 +/- 0.48  16.589% *  8.4223% (0.22   1.0   1.87   0.02) =   4.469%  kept
          HA    ALA   34 - HN    GLU-  29  10.23 +/- 0.88   1.587% *  4.6874% (0.31   1.0   0.75   0.68) =   0.238%  kept
          HA    ILE   19 - HN    GLU-  29  11.19 +/- 2.56   2.626% *  0.1665% (0.41   1.0   0.02   0.02) =   0.014%
          HA1   GLY  101 - HN    GLU-  29  15.25 +/- 4.40   1.568% *  0.1971% (0.49   1.0   0.02   0.02) =   0.010%
          HA    GLU- 114 - HN    GLU-  29  26.87 +/- 4.61   0.238% *  0.2620% (0.65   1.0   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    GLU-  29  23.27 +/- 4.14   0.524% *  0.0801% (0.20   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  29  24.88 +/- 2.71   0.125% *  0.2782% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.49, residual support = 105.6:
      O   HB2   ASN   28 - HD22  ASN   28   3.24 +/- 0.17  90.196% * 99.6000% (0.95  10.0   4.49 105.59) =  99.991%  kept
          QE    LYS+  33 - HD22  ASN   28  10.00 +/- 1.27   3.626% *  0.0913% (0.87   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HD22  ASN   28  17.63 +/- 9.44   3.040% *  0.0996% (0.95   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD22  ASN   28  12.94 +/- 1.32   1.555% *  0.0681% (0.65   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD22  ASN   28  18.01 +/- 2.88   0.732% *  0.1051% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  17.94 +/- 5.23   0.852% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.09, residual support = 159.0:
      O   HG2   GLN   30 - HE21  GLN   30   3.86 +/- 0.21  92.627% * 96.2079% (0.61  10.0   4.10 159.29) =  99.766%  kept
          HB3   ASN   28 - HE21  GLN   30  10.25 +/- 1.00   5.534% *  3.7643% (0.84   1.0   0.57  18.12) =   0.233%  kept
          QE    LYS+ 121 - HE21  GLN   30  17.91 +/- 4.64   1.840% *  0.0278% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.06 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 = 4.17, residual support = 159.0:
      O   HG2   GLN   30 - HE22  GLN   30   2.99 +/- 0.40  94.741% * 96.2079% (0.61  10.0   4.18 159.29) =  99.822%  kept
          HB3   ASN   28 - HE22  GLN   30   8.84 +/- 1.02   4.305% *  3.7643% (0.84   1.0   0.57  18.12) =   0.177%  kept
          QE    LYS+ 121 - HE22  GLN   30  17.83 +/- 4.45   0.954% *  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 = 4.12, residual support = 105.6:
      O   HB3   ASN   28 - HD22  ASN   28   3.37 +/- 0.19  85.426% * 99.7665% (0.90  10.0   4.12 105.59) =  99.984%  kept
          HG2   GLN   30 - HD22  ASN   28   7.31 +/- 0.64   9.291% *  0.1110% (1.00   1.0   0.02  18.12) =   0.012%
          QE    LYS+ 121 - HD22  ASN   28  19.56 +/- 4.79   2.934% *  0.0808% (0.73   1.0   0.02   0.02) =   0.003%
          HB3   HIS  122 - HD22  ASN   28  19.27 +/- 4.98   2.349% *  0.0418% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.6, residual support = 13.5:
          QG2   VAL   24 - HD22  ASN   28   3.32 +/- 0.39  95.535% * 97.8576% (0.97   1.60  13.53) =  99.957%  kept
          HG    LEU   63 - HD22  ASN   28  17.44 +/- 4.17   2.907% *  1.0989% (0.87   0.02   0.02) =   0.034%
          QG1   VAL  107 - HD22  ASN   28  16.46 +/- 1.98   1.089% *  0.4755% (0.38   0.02   0.02) =   0.006%
          HG3   LYS+ 112 - HD22  ASN   28  24.31 +/- 3.84   0.470% *  0.5680% (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 = 6.1, residual support = 92.1:
      O   HA    GLU-  29 - HN    GLU-  29   2.76 +/- 0.05  88.424% * 95.4293% (0.84  10.0   6.11  92.21) =  99.846%  kept
          HA    LYS+  33 - HN    GLU-  29   8.68 +/- 0.83   3.106% *  4.0528% (0.95   1.0   0.75   0.02) =   0.149%  kept
          HA    VAL   18 - HN    GLU-  29  13.50 +/- 1.73   1.017% *  0.0915% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLU-  29  19.48 +/-10.01   0.963% *  0.0830% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.60 +/- 0.37   4.330% *  0.0176% (0.15   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  15.90 +/- 2.16   0.563% *  0.1120% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  13.16 +/- 1.56   0.949% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  24.96 +/- 4.72   0.273% *  0.1120% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  24.04 +/- 4.52   0.190% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  25.23 +/- 6.75   0.183% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.17, residual support = 32.5:
          HB2   ASN   28 - HN    GLU-  29   2.45 +/- 0.29  92.005% * 91.4892% (0.97   6.20  32.71) =  99.437%  kept
          QE    LYS+  33 - HN    GLU-  29   7.29 +/- 1.60   6.207% *  7.6221% (0.90   0.56   0.02) =   0.559%  kept
          HB2   ASN   35 - HN    GLU-  29  11.63 +/- 0.90   1.013% *  0.1856% (0.61   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    GLU-  29  19.39 +/- 2.56   0.290% *  0.3060% (1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    GLU-  29  21.09 +/- 8.74   0.299% *  0.2824% (0.92   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  20.76 +/- 4.96   0.186% *  0.1148% (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 = 0.708, support = 5.52, residual support = 30.9:
          HB3   ASN   28 - HN    GLU-  29   3.46 +/- 0.21  73.193% * 47.0561% (0.65   5.79  32.71) =  72.459%  kept
          HG2   GLN   30 - HN    GLU-  29   5.31 +/- 0.64  24.908% * 52.5436% (0.87   4.82  26.20) =  27.534%  kept
          HB3   HIS  122 - HN    GLU-  29  20.71 +/- 5.15   1.196% *  0.1626% (0.65   0.02   0.02) =   0.004%
          QE    LYS+ 121 - HN    GLU-  29  21.17 +/- 4.90   0.703% *  0.2377% (0.95   0.02   0.02) =   0.004%
    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 = 5.37, residual support = 92.1:
          HG2   GLU-  29 - HN    GLU-  29   3.23 +/- 0.41  85.625% * 97.1691% (0.57   5.38  92.21) =  99.876%  kept
          QG    GLN   32 - HN    GLU-  29   7.02 +/- 0.75  11.926% *  0.7715% (0.28   0.09   0.02) =   0.110%  kept
          QE    LYS+ 112 - HN    GLU-  29  24.90 +/- 4.65   0.499% *  0.6322% (0.99   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    GLU-  29  19.77 +/- 3.13   0.484% *  0.6322% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    GLU-  29  21.12 +/- 8.80   1.003% *  0.2622% (0.41   0.02   0.02) =   0.003%
          HB    VAL  107 - HN    GLU-  29  21.74 +/- 2.21   0.464% *  0.5328% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.579, support = 5.36, residual support = 14.6:
          HA    ASN   28 - HN    GLN   30   3.87 +/- 0.12  37.285% * 60.4550% (0.45   6.81  18.12) =  73.124%  kept
          HA    THR   26 - HN    GLN   30   4.39 +/- 0.58  27.554% * 27.9182% (0.97   1.46   4.85) =  24.955%  kept
          HA    ALA   34 - HN    GLN   30   7.99 +/- 0.93   4.833% *  9.6126% (0.65   0.75   7.15) =   1.507%  kept
          HA1   GLY  101 - HN    LYS+  99   5.51 +/- 0.49  13.795% *  0.8154% (0.05   0.75   1.37) =   0.365%  kept
          HA1   GLY  101 - HN    GLN   30  13.93 +/- 4.08   2.199% *  0.3310% (0.84   0.02   0.02) =   0.024%
          HA    ILE   19 - HN    GLN   30   9.64 +/- 2.61   6.638% *  0.0611% (0.15   0.02  13.73) =   0.013%
          HA    LEU  115 - HN    GLN   30  21.56 +/- 3.82   0.732% *  0.1929% (0.49   0.02   0.02) =   0.005%
          HA    GLU- 114 - HN    GLN   30  25.23 +/- 4.22   0.328% *  0.3748% (0.95   0.02   0.02) =   0.004%
          HA    ALA   34 - HN    LYS+  99  10.10 +/- 1.22   2.453% *  0.0168% (0.04   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLN   30  23.52 +/- 2.80   0.234% *  0.1352% (0.34   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  13.63 +/- 3.31   1.722% *  0.0117% (0.03   0.02   0.02) =   0.001%
          HA    THR   26 - HN    LYS+  99  17.89 +/- 2.87   0.556% *  0.0251% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.39 +/- 2.04   0.413% *  0.0246% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  15.91 +/- 2.18   0.634% *  0.0127% (0.03   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.33 +/- 2.11   0.220% *  0.0089% (0.02   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.09 +/- 2.18   0.403% *  0.0040% (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 = 6.36, residual support = 26.1:
      O   HA    GLU-  29 - HN    GLN   30   3.49 +/- 0.03  63.029% * 94.9945% (1.00  10.0   6.40  26.20) =  99.430%  kept
          HA    LYS+  33 - HN    GLN   30   7.32 +/- 0.55   7.151% *  3.4995% (0.98   1.0   0.75   0.52) =   0.416%  kept
          HA    GLN   32 - HN    GLN   30   6.74 +/- 0.19   8.849% *  0.9921% (0.38   1.0   0.56   1.74) =   0.146%  kept
          HA    VAL   18 - HN    GLN   30  11.80 +/- 1.60   1.975% *  0.0944% (0.99   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    GLN   30  13.61 +/- 2.03   1.418% *  0.0728% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   30  19.84 +/- 9.03   1.069% *  0.0919% (0.97   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    GLN   30  23.13 +/- 4.41   0.520% *  0.0728% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  10.99 +/- 1.64   2.497% *  0.0147% (0.15   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   30  23.17 +/- 4.30   0.307% *  0.0616% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  24.99 +/- 6.18   0.270% *  0.0391% (0.41   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  12.32 +/- 3.46   2.098% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  13.24 +/- 1.48   1.307% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  15.21 +/- 2.67   1.043% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  11.77 +/- 2.96   2.614% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  17.61 +/- 3.36   0.641% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.68 +/- 2.42   0.181% *  0.0212% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  11.27 +/- 1.81   3.423% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  22.14 +/- 5.46   0.443% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.03 +/- 2.25   0.519% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  23.63 +/- 4.44   0.293% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  25.16 +/- 1.88   0.182% *  0.0040% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.54 +/- 1.93   0.171% *  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 = 159.3:
      O   HA    GLN   30 - HN    GLN   30   2.81 +/- 0.02  83.662% * 99.5516% (0.92  10.0   6.41 159.29) =  99.994%  kept
          QB    SER   13 - HN    GLN   30  14.01 +/- 4.11   4.978% *  0.0525% (0.49   1.0   0.02   0.02) =   0.003%
          HB    THR   39 - HN    GLN   30  11.54 +/- 2.19   1.685% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  19.65 +/- 9.08   0.789% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  11.18 +/- 1.65   1.744% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    GLN   30  26.96 +/- 2.57   0.107% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  23.40 +/- 2.79   0.191% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.07 +/- 1.59   2.568% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  13.44 +/- 2.12   1.093% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  24.30 +/- 4.65   0.173% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.19 +/- 2.11   2.009% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  22.13 +/- 5.29   0.272% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.23 +/- 2.97   0.244% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.85 +/- 2.05   0.102% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.22 +/- 2.51   0.171% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  22.29 +/- 3.54   0.209% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.983, support = 6.98, residual support = 138.3:
          HG2   GLN   30 - HN    GLN   30   3.27 +/- 0.48  68.146% * 63.5044% (1.00   7.39 159.29) =  85.108%  kept
          HB3   ASN   28 - HN    GLN   30   5.09 +/- 0.15  20.872% * 36.2718% (0.90   4.69  18.12) =  14.889%  kept
          QE    LYS+ 121 - HN    GLN   30  19.60 +/- 4.54   0.568% *  0.1252% (0.73   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    LYS+  99  12.79 +/- 5.90   4.413% *  0.0082% (0.05   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    GLN   30  18.76 +/- 4.82   0.516% *  0.0647% (0.38   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LYS+  99  15.31 +/- 3.33   1.345% *  0.0102% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  14.18 +/- 6.85   3.061% *  0.0042% (0.02   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  14.58 +/- 2.45   1.079% *  0.0113% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.93, residual support = 157.9:
      O   HB3   GLN   30 - HN    GLN   30   2.65 +/- 0.54  61.749% * 95.1171% (0.69  10.0   6.98 159.29) =  99.138%  kept
          QB    LYS+  33 - HN    GLN   30   5.28 +/- 0.89  13.429% *  3.7707% (0.73   1.0   0.75   0.52) =   0.855%  kept
          HB3   LYS+  38 - HN    GLN   30  14.59 +/- 1.09   0.541% *  0.1201% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.08 +/- 0.75  10.771% *  0.0048% (0.03   1.0   0.02   0.12) =   0.001%
          QB    LYS+  81 - HN    GLN   30  19.07 +/- 5.81   0.413% *  0.1201% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  17.32 +/- 1.93   0.315% *  0.1242% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   30  17.79 +/- 2.84   0.418% *  0.0840% (0.61   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   30  16.08 +/- 3.30   0.478% *  0.0729% (0.53   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    GLN   30  23.10 +/- 3.98   0.176% *  0.1336% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   7.93 +/- 0.98   3.481% *  0.0055% (0.04   1.0   0.02   0.57) =   0.000%
          HG3   PRO   68 - HN    GLN   30  19.23 +/- 3.00   0.282% *  0.0674% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.58 +/- 0.69   1.826% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  10.34 +/- 1.72   1.784% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  26.19 +/- 4.01   0.105% *  0.1109% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.74 +/- 4.59   0.144% *  0.0784% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  12.69 +/- 2.58   1.561% *  0.0062% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  23.37 +/- 4.63   0.206% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  24.11 +/- 2.44   0.114% *  0.0729% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.27 +/- 1.46   0.832% *  0.0066% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.94 +/- 3.14   0.226% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  18.42 +/- 3.88   0.390% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.39 +/- 2.48   0.183% *  0.0088% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  25.67 +/- 2.17   0.108% *  0.0073% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  21.82 +/- 4.56   0.226% *  0.0031% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.53 +/- 0.90   0.147% *  0.0048% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.06 +/- 3.50   0.093% *  0.0052% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 5.68, residual support = 50.5:
          HG    LEU   31 - HN    GLN   30   4.48 +/- 0.54  34.480% * 90.6449% (0.80   5.86  52.12) =  96.642%  kept
          QD2   LEU   73 - HN    GLN   30   8.19 +/- 3.10  12.456% *  8.5653% (0.92   0.48   4.76) =   3.299%  kept
          QG1   VAL   41 - HN    GLN   30   8.21 +/- 2.26  10.242% *  0.0963% (0.25   0.02   0.02) =   0.030%
          QD1   ILE   56 - HN    GLN   30  18.69 +/- 3.49   0.861% *  0.3852% (1.00   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    LYS+  99   5.12 +/- 1.49  29.870% *  0.0063% (0.02   0.02   0.02) =   0.006%
          HG3   LYS+ 121 - HN    GLN   30  21.08 +/- 5.16   0.807% *  0.2186% (0.57   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    LYS+  99  10.88 +/- 3.10   4.069% *  0.0203% (0.05   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+  99  10.95 +/- 1.74   2.912% *  0.0234% (0.06   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LYS+  99  13.32 +/- 7.05   3.545% *  0.0144% (0.04   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    LYS+  99  16.59 +/- 2.01   0.757% *  0.0253% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.725, support = 2.0, residual support = 4.84:
          QG2   THR   26 - HN    GLN   30   4.16 +/- 0.30  64.966% * 94.2903% (0.73   2.00   4.85) =  99.825%  kept
          HB2   LYS+  74 - HN    GLN   30  13.32 +/- 2.67   2.685% *  1.2283% (0.95   0.02   0.02) =   0.054%
          HB3   LEU   40 - HN    GLN   30  13.60 +/- 1.85   2.386% *  0.9429% (0.73   0.02   0.02) =   0.037%
          HD2   LYS+ 121 - HN    GLN   30  21.40 +/- 4.87   1.636% *  0.7352% (0.57   0.02   0.02) =   0.020%
          QB    ALA  120 - HN    GLN   30  20.40 +/- 3.70   1.406% *  0.6320% (0.49   0.02   0.02) =   0.014%
          HG2   LYS+  65 - HN    GLN   30  18.68 +/- 2.37   0.883% *  0.8400% (0.65   0.02   0.02) =   0.012%
          HG    LEU  115 - HN    GLN   30  22.06 +/- 3.92   1.100% *  0.6320% (0.49   0.02   0.02) =   0.011%
          HB3   LEU   40 - HN    LYS+  99   8.50 +/- 1.45   9.757% *  0.0619% (0.05   0.02  10.27) =   0.010%
          QD    LYS+  66 - HN    GLN   30  18.77 +/- 3.01   1.202% *  0.2891% (0.22   0.02   0.02) =   0.006%
          QG2   THR   26 - HN    LYS+  99  14.71 +/- 2.65   3.830% *  0.0619% (0.05   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HN    LYS+  99  14.20 +/- 6.22   4.454% *  0.0483% (0.04   0.02   0.02) =   0.004%
          QB    ALA  120 - HN    LYS+  99  14.93 +/- 3.54   2.054% *  0.0415% (0.03   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  99  17.54 +/- 1.90   1.008% *  0.0807% (0.06   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+  99  20.68 +/- 3.22   0.817% *  0.0552% (0.04   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  99  17.57 +/- 1.36   0.979% *  0.0415% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+  99  18.94 +/- 2.87   0.836% *  0.0190% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.389, support = 6.43, residual support = 159.1:
      O   HB2   GLN   30 - HN    GLN   30   2.92 +/- 0.66  47.852% * 86.3451% (0.41  10.0   6.43 159.29) =  90.834%  kept
          HG3   GLN   30 - HN    GLN   30   3.62 +/- 0.62  34.513% * 11.9142% (0.18   1.0   6.48 159.29) =   9.040%  kept
          HB3   GLU- 100 - HN    LYS+  99   5.91 +/- 0.90   8.709% *  0.6004% (0.02   1.0   2.55  38.83) =   0.115%  kept
          HB2   GLU-  14 - HN    GLN   30  13.56 +/- 4.16   1.690% *  0.1105% (0.53   1.0   0.02   0.02) =   0.004%
          HB3   GLU- 100 - HN    GLN   30  14.40 +/- 3.29   1.663% *  0.0716% (0.34   1.0   0.02   0.02) =   0.003%
          HG2   MET   11 - HN    GLN   30  18.66 +/- 4.26   0.487% *  0.1189% (0.57   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLN   30  22.19 +/- 4.26   0.493% *  0.0863% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    GLN   30  21.86 +/- 1.94   0.125% *  0.2027% (0.97   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLN   30  23.78 +/- 4.02   0.179% *  0.0942% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  22.86 +/- 2.00   0.112% *  0.1359% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.34 +/- 4.36   0.099% *  0.1525% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  12.73 +/- 2.45   1.570% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  26.84 +/- 2.98   0.077% *  0.0942% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.51 +/- 0.45   0.352% *  0.0089% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.61 +/- 0.81   0.174% *  0.0133% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  14.21 +/- 2.37   0.932% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  17.31 +/- 3.58   0.329% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  21.45 +/- 4.12   0.228% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  26.12 +/- 3.56   0.111% *  0.0100% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.82 +/- 2.83   0.150% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  27.65 +/- 3.88   0.069% *  0.0078% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  26.05 +/- 2.26   0.084% *  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 = 5.6, residual support = 26.2:
          HB3   GLU-  29 - HN    GLN   30   3.92 +/- 0.26  54.255% * 43.1542% (0.90   5.17  26.20) =  56.617%  kept
          HG3   GLU-  29 - HN    GLN   30   4.85 +/- 0.48  31.862% * 56.2812% (0.98   6.17  26.20) =  43.363%  kept
          QB    GLU-  36 - HN    GLN   30   9.28 +/- 0.63   4.181% *  0.1129% (0.61   0.02   0.02) =   0.011%
          HB2   LYS+  38 - HN    GLN   30  14.22 +/- 1.02   1.163% *  0.1129% (0.61   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    GLN   30  16.89 +/- 5.85   1.290% *  0.0979% (0.53   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    GLN   30  26.26 +/- 4.11   0.218% *  0.1845% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  11.32 +/- 1.38   2.605% *  0.0074% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  12.49 +/- 1.56   2.091% *  0.0074% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  16.62 +/- 2.39   0.894% *  0.0110% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  17.92 +/- 2.52   0.703% *  0.0120% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  20.81 +/- 3.23   0.539% *  0.0064% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  25.77 +/- 2.49   0.199% *  0.0121% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.42, residual support = 92.2:
      O   HB2   GLU-  29 - HN    GLU-  29   2.33 +/- 0.30  97.372% * 99.4303% (0.76  10.0   5.42  92.21) =  99.998%  kept
          HG2   GLU- 100 - HN    GLU-  29  16.52 +/- 3.38   0.699% *  0.1042% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  29  20.45 +/- 2.92   0.371% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLU-  29  17.61 +/- 4.29   0.296% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  22.25 +/- 4.57   0.679% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  16.04 +/- 2.86   0.356% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.28 +/- 2.55   0.102% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  23.22 +/- 4.40   0.125% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.776, support = 5.51, residual support = 92.0:
      O   HB3   GLU-  29 - HN    GLU-  29   3.43 +/- 0.26  36.559% * 66.8389% (0.65  10.0   4.91  92.21) =  58.880%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.00 +/- 0.27  53.331% * 31.8378% (0.97   1.0   6.39  92.21) =  40.913%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.85 +/- 0.48   7.828% *  1.0834% (0.14   1.0   1.55   0.02) =   0.204%  kept
          QB    GLU-  36 - HN    GLU-  29  10.54 +/- 0.83   1.287% *  0.0352% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  29  16.14 +/- 1.02   0.340% *  0.0896% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  17.32 +/- 6.37   0.554% *  0.0287% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  26.67 +/- 4.59   0.101% *  0.0863% (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 = 0.962, support = 3.29, residual support = 159.2:
      O   HG3   GLN   30 - HE21  GLN   30   4.00 +/- 0.21  35.514% * 85.8805% (0.99  10.0   3.18 159.29) =  84.773%  kept
          HB2   GLN   30 - HE21  GLN   30   3.85 +/- 0.66  40.084% * 13.6291% (0.80   1.0   3.93 159.29) =  15.185%  kept
          HB3   GLU- 100 - HE21  GLN   30  14.07 +/- 3.89  11.487% *  0.0752% (0.87   1.0   0.02   0.02) =   0.024%
          HB    ILE  119 - HE21  GLN   30  19.31 +/- 4.93   4.270% *  0.0694% (0.80   1.0   0.02   0.02) =   0.008%
          QB    GLU-  15 - HE21  GLN   30  10.91 +/- 2.59   2.515% *  0.0422% (0.49   1.0   0.02   0.02) =   0.003%
          HB3   PRO   68 - HE21  GLN   30  15.27 +/- 3.25   1.335% *  0.0752% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   GLN   17 - HE21  GLN   30  11.41 +/- 2.35   1.728% *  0.0422% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HE21  GLN   30  12.15 +/- 1.63   1.724% *  0.0267% (0.31   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HE21  GLN   30  23.88 +/- 5.21   0.495% *  0.0422% (0.49   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HE21  GLN   30  21.81 +/- 2.32   0.250% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.40 +/- 4.05   0.234% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  19.92 +/- 2.39   0.363% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (0.72, 7.18, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.342, support = 1.99, residual support = 12.9:
          QD1   ILE   19 - HE21  GLN   30   4.62 +/- 2.00  34.054% * 59.8171% (0.41   2.13  13.73) =  60.618%  kept
          QG2   ILE   19 - HE21  GLN   30   4.17 +/- 2.63  46.678% * 24.0713% (0.18   2.02  13.73) =  33.436%  kept
          QD2   LEU  104 - HE21  GLN   30  11.83 +/- 4.09  13.178% * 14.6783% (0.57   0.38   0.02) =   5.756%  kept
          QD1   LEU   98 - HE21  GLN   30  10.60 +/- 2.68   5.019% *  1.2229% (0.90   0.02   0.02) =   0.183%  kept
          QG2   THR   46 - HE21  GLN   30  14.43 +/- 2.46   1.071% *  0.2104% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.73 A violated in 1 structures by 0.08 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.325, support = 2.02, residual support = 12.9:
          QD1   ILE   19 - HE22  GLN   30   5.30 +/- 1.87  29.133% * 57.9953% (0.41   2.08  13.73) =  52.546%  kept
          QG2   ILE   19 - HE22  GLN   30   4.39 +/- 2.56  50.204% * 26.2861% (0.18   2.21  13.73) =  41.042%  kept
          QD2   LEU  104 - HE22  GLN   30  11.58 +/- 3.90  13.950% * 14.2915% (0.57   0.37   0.02) =   6.200%  kept
          QD1   LEU   98 - HE22  GLN   30  10.09 +/- 2.49   5.359% *  1.2176% (0.90   0.02   0.02) =   0.203%  kept
          QG2   THR   46 - HE22  GLN   30  14.27 +/- 2.52   1.354% *  0.2095% (0.15   0.02   0.02) =   0.009%
    Distance limit 4.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 44.6:
      O   HA    LEU   31 - HN    GLN   32   3.59 +/- 0.04  99.192% * 99.9819% (0.97  10.0   5.92  44.60) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  19.77 +/- 4.14   0.808% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.43, residual support = 44.6:
          QG    GLN   32 - HN    GLN   32   3.71 +/- 0.48  88.800% * 98.9093% (0.99   4.43  44.65) =  99.980%  kept
          HB2   GLU- 100 - HN    GLN   32  12.35 +/- 3.68   7.178% *  0.1003% (0.22   0.02   0.02) =   0.008%
          QG    GLU-  79 - HN    GLN   32  17.09 +/- 5.10   1.744% *  0.3608% (0.80   0.02   0.02) =   0.007%
          HB    VAL  107 - HN    GLN   32  20.42 +/- 1.51   0.611% *  0.3095% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  20.12 +/- 2.77   0.706% *  0.1253% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  24.45 +/- 4.17   0.539% *  0.1253% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  25.87 +/- 3.63   0.421% *  0.0695% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.45, residual support = 44.6:
      O   QB    GLN   32 - HN    GLN   32   2.16 +/- 0.09  97.190% * 99.6924% (0.90  10.0   4.45  44.65) =  99.997%  kept
          HG3   GLU- 100 - HN    GLN   32  12.49 +/- 3.29   1.866% *  0.1090% (0.98   1.0   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    GLN   32  12.04 +/- 0.46   0.569% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  19.43 +/- 2.58   0.169% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  19.37 +/- 5.03   0.206% *  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 = 2.99, residual support = 5.93:
          HB3   GLN   30 - HN    GLN   32   5.19 +/- 0.36  38.215% * 73.6495% (0.99   2.52   1.74) =  69.432%  kept
          QB    LYS+  33 - HN    GLN   32   4.62 +/- 0.37  52.376% * 23.5981% (0.20   4.05  15.48) =  30.491%  kept
          HB3   LYS+  38 - HN    GLN   32  12.35 +/- 0.68   2.787% *  0.5285% (0.90   0.02   0.02) =   0.036%
          HB3   PRO   58 - HN    GLN   32  24.79 +/- 4.69   0.873% *  0.5285% (0.90   0.02   0.02) =   0.011%
          HG3   MET   11 - HN    GLN   32  19.90 +/- 5.46   2.499% *  0.1312% (0.22   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    GLN   32  17.03 +/- 2.05   1.199% *  0.2010% (0.34   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    GLN   32  24.44 +/- 3.69   0.528% *  0.4503% (0.76   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    GLN   32  25.47 +/- 2.57   0.351% *  0.5841% (0.99   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    GLN   32  20.94 +/- 5.54   0.883% *  0.1819% (0.31   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    GLN   32  27.83 +/- 4.01   0.289% *  0.1469% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.6:
          HB2   LEU   31 - HN    GLN   32   2.77 +/- 0.23  89.202% * 97.3704% (0.98   5.92  44.60) =  99.971%  kept
          HG2   LYS+  99 - HN    GLN   32  12.44 +/- 3.15   3.878% *  0.2435% (0.73   0.02   0.02) =   0.011%
          HG    LEU   98 - HN    GLN   32  11.95 +/- 3.45   1.932% *  0.2170% (0.65   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HN    GLN   32  11.21 +/- 1.29   1.920% *  0.2034% (0.61   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    GLN   32  19.53 +/- 7.74   0.656% *  0.3347% (1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    GLN   32  18.73 +/- 2.89   0.626% *  0.3237% (0.97   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    GLN   32  17.76 +/- 1.67   0.389% *  0.3008% (0.90   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    GLN   32  20.61 +/- 4.57   0.433% *  0.2563% (0.76   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLN   32  19.48 +/- 4.83   0.425% *  0.1765% (0.53   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLN   32  28.81 +/- 2.81   0.096% *  0.3173% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.27 +/- 1.82   0.164% *  0.1633% (0.49   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  22.63 +/- 5.49   0.280% *  0.0933% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.6:
          HB3   LEU   31 - HN    GLN   32   3.93 +/- 0.16  87.551% * 98.9125% (0.98   5.92  44.60) =  99.973%  kept
          QG1   VAL   24 - HN    GLN   32  10.31 +/- 0.52   5.061% *  0.1929% (0.57   0.02   0.02) =   0.011%
          QB    ALA   20 - HN    GLN   32  12.18 +/- 1.61   3.771% *  0.1793% (0.53   0.02   0.02) =   0.008%
          HG13  ILE  119 - HN    GLN   32  21.43 +/- 3.77   1.235% *  0.3288% (0.97   0.02   0.02) =   0.005%
          QG1   VAL  107 - HN    GLN   32  17.33 +/- 1.29   1.094% *  0.0850% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    GLN   32  27.68 +/- 4.23   0.356% *  0.2341% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    GLN   32  21.00 +/- 4.81   0.931% *  0.0674% (0.20   0.02   0.02) =   0.001%
    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 = 4.52, residual support = 15.5:
          QG    GLN   32 - HN    LYS+  33   4.09 +/- 0.50  95.726% * 98.6925% (0.84   4.52  15.48) =  99.986%  kept
          QG    GLU-  79 - HN    LYS+  33  17.84 +/- 4.76   2.021% *  0.2750% (0.53   0.02   0.02) =   0.006%
          HB    VAL  107 - HN    LYS+  33  21.07 +/- 1.68   0.793% *  0.4825% (0.92   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    LYS+  33  21.12 +/- 2.29   0.821% *  0.2750% (0.53   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    LYS+  33  25.07 +/- 4.16   0.639% *  0.2750% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.41 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 = 4.6, residual support = 15.5:
          QB    GLN   32 - HN    LYS+  33   2.83 +/- 0.24  92.733% * 98.5997% (1.00   4.60  15.48) =  99.980%  kept
          HG3   GLU- 100 - HN    LYS+  33  11.99 +/- 3.12   3.059% *  0.3434% (0.80   0.02   0.02) =   0.011%
          HB    VAL   24 - HN    LYS+  33  13.58 +/- 0.55   0.884% *  0.4251% (0.99   0.02   0.02) =   0.004%
          HB2   PRO   68 - HN    LYS+  33  18.68 +/- 2.80   0.480% *  0.3959% (0.92   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    LYS+  33  14.24 +/- 4.69   2.447% *  0.0662% (0.15   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    LYS+  33  25.48 +/- 4.00   0.294% *  0.0849% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.62 +/- 3.00   0.103% *  0.0849% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.964, support = 6.13, residual support = 154.6:
      O   QB    LYS+  33 - HN    LYS+  33   2.33 +/- 0.27  88.799% * 97.3044% (0.97  10.0   6.14 154.86) =  99.827%  kept
          HB3   GLN   30 - HN    LYS+  33   5.45 +/- 0.32   7.956% *  1.8512% (0.38   1.0   0.98   0.52) =   0.170%  kept
          HB3   LYS+  38 - HN    LYS+  33  11.22 +/- 0.43   0.876% *  0.0571% (0.57   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  33  15.69 +/- 2.67   0.381% *  0.0842% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  19.43 +/- 3.04   0.391% *  0.0807% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  17.46 +/- 2.26   0.272% *  0.0904% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.78 +/- 1.34   0.226% *  0.1006% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  22.13 +/- 5.00   0.160% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.05 +/- 3.89   0.159% *  0.0732% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.44 +/- 4.44   0.097% *  0.0875% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  29.17 +/- 3.40   0.057% *  0.0999% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  25.01 +/- 4.70   0.337% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  23.58 +/- 3.68   0.149% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.64 +/- 2.24   0.073% *  0.0251% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.27 +/- 2.96   0.067% *  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 = 154.9:
          HG2   LYS+  33 - HN    LYS+  33   3.29 +/- 0.30  98.962% * 98.6673% (0.61   4.61 154.86) =  99.993%  kept
          HG2   LYS+ 106 - HN    LYS+  33  19.00 +/- 1.96   0.585% *  0.6812% (0.97   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    LYS+  33  22.70 +/- 5.08   0.453% *  0.6515% (0.92   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.365, support = 5.54, residual support = 142.6:
          HG3   LYS+  33 - HN    LYS+  33   2.95 +/- 0.96  67.318% * 74.3746% (0.38   5.82 154.86) =  92.041%  kept
          HB2   LEU   31 - HN    LYS+  33   5.01 +/- 0.17  21.667% * 19.7664% (0.25   2.33   1.03) =   7.873%  kept
          HG    LEU   98 - HN    LYS+  33  12.47 +/- 2.65   1.832% *  0.5903% (0.87   0.02   0.02) =   0.020%
          HG3   LYS+ 102 - HN    LYS+  33  14.15 +/- 3.86   2.550% *  0.3853% (0.57   0.02   0.02) =   0.018%
          HB3   LEU   73 - HN    LYS+  33  12.81 +/- 3.52   1.647% *  0.3581% (0.53   0.02   0.02) =   0.011%
          HB    VAL   42 - HN    LYS+  33  13.53 +/- 1.67   1.040% *  0.3051% (0.45   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    LYS+  33  20.61 +/- 4.27   0.492% *  0.6438% (0.95   0.02   0.02) =   0.006%
          QB    ALA  124 - HN    LYS+  33  20.30 +/- 4.62   0.581% *  0.5201% (0.76   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    LYS+  33  18.33 +/- 1.89   0.484% *  0.5201% (0.76   0.02   0.02) =   0.005%
          HB3   LEU   80 - HN    LYS+  33  20.76 +/- 7.09   0.722% *  0.2554% (0.38   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    LYS+  33  18.26 +/- 1.74   0.438% *  0.4128% (0.61   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LYS+  33  24.10 +/- 1.88   0.212% *  0.6568% (0.97   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    LYS+  33  18.96 +/- 2.65   0.409% *  0.3313% (0.49   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LYS+  33  27.81 +/- 4.17   0.204% *  0.4402% (0.65   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LYS+  33  20.61 +/- 2.28   0.279% *  0.3051% (0.45   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    LYS+  33  29.66 +/- 2.94   0.125% *  0.1347% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.813, residual support = 1.03:
          QD2   LEU   31 - HN    LYS+  33   5.11 +/- 0.18  93.491% * 93.1567% (0.65   0.82   1.03) =  99.742%  kept
          QG2   VAL   83 - HN    LYS+  33  17.52 +/- 5.45   4.642% *  3.5015% (0.99   0.02   0.02) =   0.186%  kept
          QD1   ILE   89 - HN    LYS+  33  20.54 +/- 3.62   1.867% *  3.3418% (0.95   0.02   0.02) =   0.071%
    Distance limit 4.72 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 4.45:
          HA    LYS+  33 - HN    ASN   35   3.51 +/- 0.11  45.788% * 73.5841% (0.98   2.88   4.66) =  81.611%  kept
          HA    GLN   32 - HN    ASN   35   3.82 +/- 0.16  35.870% * 20.1690% (0.38   2.06   3.69) =  17.524%  kept
          HB2   SER   37 - HN    ASN   35   6.02 +/- 0.61   9.757% *  3.2399% (0.15   0.80   0.02) =   0.766%  kept
          HA    GLU-  29 - HN    ASN   35   7.79 +/- 0.73   4.859% *  0.5206% (1.00   0.02   0.02) =   0.061%
          HA    VAL   70 - HN    ASN   35  12.08 +/- 2.41   2.286% *  0.3987% (0.76   0.02   0.02) =   0.022%
          HA    VAL   18 - HN    ASN   35  14.83 +/- 2.28   0.694% *  0.5171% (0.99   0.02   0.02) =   0.009%
          HB2   SER   82 - HN    ASN   35  24.33 +/- 7.10   0.244% *  0.5035% (0.97   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    ASN   35  23.66 +/- 3.05   0.202% *  0.3987% (0.76   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ASN   35  27.76 +/- 2.88   0.106% *  0.3375% (0.65   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  28.61 +/- 5.17   0.112% *  0.2145% (0.41   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  29.50 +/- 2.14   0.083% *  0.1162% (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   4.97 +/- 0.07  82.229% * 98.5267% (0.97   3.96  52.06) =  99.965%  kept
          HA    ASN   28 - HN    ASN   35   9.34 +/- 0.69  13.431% *  0.1020% (0.20   0.02   0.02) =   0.017%
          HA    ALA  124 - HN    ASN   35  22.47 +/- 5.57   1.662% *  0.4127% (0.80   0.02   0.02) =   0.008%
          HA    LYS+  81 - HN    ASN   35  25.60 +/- 4.18   0.749% *  0.5143% (1.00   0.02   0.02) =   0.005%
          HA    ARG+  54 - HN    ASN   35  27.76 +/- 4.34   0.726% *  0.3540% (0.69   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ASN   35  22.28 +/- 2.75   1.203% *  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 = 0.362, support = 5.58, residual support = 50.8:
      O   HB2   ASN   35 - HN    ASN   35   3.09 +/- 0.45  78.446% * 71.0929% (0.31  10.0   5.84  54.72) =  92.269%  kept
          QE    LYS+  33 - HN    ASN   35   5.73 +/- 0.97  16.616% * 28.0800% (1.00   1.0   2.44   4.66) =   7.719%  kept
          HB2   ASN   28 - HN    ASN   35  10.93 +/- 0.78   2.164% *  0.2223% (0.97   1.0   0.02   0.02) =   0.008%
          QE    LYS+  65 - HN    ASN   35  20.34 +/- 2.28   0.344% *  0.1998% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASN   35  14.63 +/- 3.35   1.596% *  0.0403% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ASN   35  24.05 +/- 7.07   0.356% *  0.1490% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   35  25.17 +/- 2.40   0.175% *  0.1582% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.34 +/- 2.59   0.303% *  0.0574% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.35, residual support = 20.1:
          QB    ALA   34 - HN    ASN   35   3.01 +/- 0.04  81.758% * 98.0177% (0.92   3.35  20.15) =  99.938%  kept
          HG3   LYS+  38 - HN    ASN   35   7.54 +/- 0.93   6.037% *  0.3590% (0.57   0.02   0.02) =   0.027%
          QG2   THR   39 - HN    ASN   35   6.63 +/- 1.08  10.558% *  0.1957% (0.31   0.02   0.02) =   0.026%
          QG2   THR   23 - HN    ASN   35  14.57 +/- 1.35   0.816% *  0.6216% (0.98   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    ASN   35  20.96 +/- 2.35   0.298% *  0.4847% (0.76   0.02   0.02) =   0.002%
          QG2   THR   77 - HN    ASN   35  19.02 +/- 1.81   0.358% *  0.1255% (0.20   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    ASN   35  23.67 +/- 1.59   0.175% *  0.1957% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.86, residual support = 105.6:
      O   HB2   ASN   28 - HD21  ASN   28   3.91 +/- 0.23  85.530% * 99.6076% (0.97  10.0   3.86 105.59) =  99.986%  kept
          HB2   ASP-  86 - HD21  ASN   28  17.10 +/- 9.68   5.312% *  0.0953% (0.92   1.0   0.02   0.02) =   0.006%
          QE    LYS+  33 - HD21  ASN   28  11.29 +/- 1.28   4.070% *  0.0926% (0.90   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD21  ASN   28  18.36 +/- 3.21   1.313% *  0.1032% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HD21  ASN   28  14.12 +/- 1.28   2.106% *  0.0626% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD21  ASN   28  17.48 +/- 5.57   1.669% *  0.0387% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.49, residual support = 105.4:
      O   HB3   ASN   28 - HD21  ASN   28   4.00 +/- 0.12  78.311% * 97.5625% (0.90  10.0   3.50 105.59) =  99.742%  kept
          HG2   GLN   30 - HD21  ASN   28   8.72 +/- 0.81   8.155% *  2.3177% (1.00   1.0   0.43  18.12) =   0.247%  kept
          QE    LYS+ 121 - HD21  ASN   28  20.06 +/- 5.11   7.340% *  0.0790% (0.73   1.0   0.02   0.02) =   0.008%
          HB3   HIS  122 - HD21  ASN   28  19.94 +/- 5.32   6.194% *  0.0408% (0.38   1.0   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.82, residual support = 13.5:
          QG2   VAL   24 - HD21  ASN   28   2.40 +/- 0.53  96.883% * 96.8505% (0.76   1.82  13.53) =  99.979%  kept
          HG    LEU   63 - HD21  ASN   28  17.97 +/- 4.27   0.892% *  1.2467% (0.90   0.02   0.02) =   0.012%
          HG3   LYS+ 112 - HD21  ASN   28  24.42 +/- 3.92   0.254% *  1.3416% (0.97   0.02   0.02) =   0.004%
          HB2   LEU  104 - HD21  ASN   28  16.75 +/- 4.09   1.297% *  0.2145% (0.15   0.02   0.02) =   0.003%
          QG2   VAL  108 - HD21  ASN   28  17.42 +/- 3.52   0.675% *  0.3466% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 50.4:
      O   HA    TRP   27 - HN    ASN   28   3.62 +/- 0.02  98.507% * 99.7755% (1.00  10.0   5.65  50.38) =  99.999%  kept
          HA    ALA   91 - HN    ASN   28  21.80 +/- 4.20   0.604% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ASN   28  21.61 +/- 2.47   0.559% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.96 +/- 2.80   0.329% *  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 = 5.85, residual support = 13.5:
          HA    VAL   24 - HN    ASN   28   3.75 +/- 0.31  95.562% * 99.4737% (0.92   5.85  13.53) =  99.992%  kept
          HD2   PRO   68 - HN    ASN   28  19.19 +/- 3.61   1.290% *  0.2234% (0.61   0.02   0.02) =   0.003%
          HA    LYS+  38 - HN    ASN   28  15.11 +/- 1.32   1.629% *  0.1514% (0.41   0.02   0.02) =   0.003%
          HA    ALA   61 - HN    ASN   28  17.69 +/- 2.50   1.519% *  0.1514% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 50.4:
          HB2   TRP   27 - HN    ASN   28   3.08 +/- 0.31  98.578% * 99.2741% (0.80   5.59  50.38) =  99.995%  kept
          HA    THR   77 - HN    ASN   28  16.16 +/- 5.37   1.146% *  0.3706% (0.84   0.02   0.02) =   0.004%
          HD2   PRO   93 - HN    ASN   28  22.90 +/- 2.17   0.276% *  0.3553% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 105.6:
      O   HB2   ASN   28 - HN    ASN   28   2.47 +/- 0.17  95.132% * 99.6076% (0.97  10.0   6.96 105.59) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   28   9.04 +/- 1.47   2.608% *  0.0926% (0.90   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    ASN   28  18.99 +/- 8.99   0.820% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  13.10 +/- 1.02   0.713% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  18.11 +/- 2.70   0.333% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  18.47 +/- 5.38   0.394% *  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 = 6.46, residual support = 103.7:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.02  78.602% * 91.4490% (0.90  10.0   6.56 105.59) =  97.890%  kept
          HG2   GLN   30 - HN    ASN   28   5.98 +/- 0.63  18.344% *  8.4387% (1.00   1.0   1.66  18.12) =   2.108%  kept
          QE    LYS+ 121 - HN    ASN   28  20.41 +/- 4.78   1.535% *  0.0740% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    ASN   28  19.89 +/- 4.97   1.519% *  0.0383% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.529, support = 2.59, residual support = 18.9:
          HG3   GLU-  29 - HN    ASN   28   5.30 +/- 0.36  48.956% * 46.5988% (0.20   4.07  32.71) =  52.368%  kept
          HB2   GLU-  25 - HN    ASN   28   5.64 +/- 0.14  40.891% * 50.5735% (0.90   0.97   3.78) =  47.472%  kept
          QG    GLN   17 - HN    ASN   28  14.30 +/- 2.18   3.137% *  0.9272% (0.80   0.02   0.02) =   0.067%
          HB    VAL   70 - HN    ASN   28  15.77 +/- 2.20   2.230% *  0.8408% (0.73   0.02   0.02) =   0.043%
          HB2   MET   96 - HN    ASN   28  14.51 +/- 3.20   3.329% *  0.3574% (0.31   0.02   0.02) =   0.027%
          HB2   LYS+  38 - HN    ASN   28  17.33 +/- 1.17   1.458% *  0.7023% (0.61   0.02   0.02) =   0.024%
    Distance limit 4.74 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.492, support = 3.31, residual support = 13.5:
          QG2   VAL   24 - HN    ASN   28   3.70 +/- 0.20  67.745% * 50.9626% (0.45   3.62  13.53) =  71.998%  kept
          QG1   VAL   24 - HN    ASN   28   5.09 +/- 0.35  27.973% * 47.9580% (0.61   2.52  13.53) =  27.977%  kept
          HG    LEU   63 - HN    ASN   28  17.99 +/- 4.15   3.015% *  0.1939% (0.31   0.02   0.02) =   0.012%
          QG1   VAL  107 - HN    ASN   28  17.38 +/- 2.10   0.856% *  0.5798% (0.92   0.02   0.02) =   0.010%
          HD3   LYS+ 112 - HN    ASN   28  26.41 +/- 4.71   0.411% *  0.3057% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.394, support = 2.52, residual support = 1.02:
          QD2   LEU   80 - HN    ASN   28  11.25 +/- 8.44  24.812% * 53.2130% (0.45   2.65   1.27) =  59.712%  kept
          QD1   LEU   73 - HN    ASN   28   7.45 +/- 4.24  30.138% * 21.4713% (0.15   3.11   0.89) =  29.266%  kept
          QG1   VAL   83 - HN    ASN   28  13.05 +/- 7.76   9.104% * 14.4713% (1.00   0.32   0.02) =   5.958%  kept
          QD2   LEU  115 - HN    ASN   28  18.26 +/- 4.15  10.012% *  6.4352% (0.41   0.35   0.02) =   2.914%  kept
          QD1   LEU  104 - HN    ASN   28  14.09 +/- 4.19  10.639% *  2.3782% (0.69   0.08   0.02) =   1.144%  kept
          QD1   LEU   63 - HN    ASN   28  14.39 +/- 3.85  14.247% *  1.5238% (0.15   0.22   0.02) =   0.982%  kept
          QG2   ILE   89 - HN    ASN   28  17.19 +/- 4.36   1.048% *  0.5072% (0.57   0.02   0.02) =   0.024%
    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 = 23.7:
          HA    VAL   24 - HN    TRP   27   3.17 +/- 0.21  95.884% * 99.0292% (0.99   3.05  23.72) =  99.992%  kept
          HA    LYS+  38 - HN    TRP   27  16.19 +/- 1.40   0.812% *  0.4757% (0.73   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    TRP   27  18.71 +/- 3.26   0.822% *  0.2022% (0.31   0.02   0.02) =   0.002%
          HA    ALA   61 - HN    TRP   27  16.74 +/- 2.26   0.970% *  0.1147% (0.18   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    ALA   91  20.37 +/- 4.54   0.515% *  0.0802% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  24.63 +/- 3.60   0.320% *  0.0250% (0.04   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  18.54 +/- 2.41   0.549% *  0.0142% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  29.37 +/- 1.57   0.128% *  0.0588% (0.09   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 = 106.7:
      O   HB2   TRP   27 - HN    TRP   27   2.09 +/- 0.10  94.966% * 99.8160% (0.99  10.0   5.37 106.70) =  99.999%  kept
          HD2   PRO   93 - HN    ALA   91   7.23 +/- 0.48   2.410% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  15.64 +/- 5.52   0.481% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   8.89 +/- 2.16   1.922% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  22.46 +/- 2.22   0.085% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  20.79 +/- 4.23   0.137% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 106.7:
      O   HB3   TRP   27 - HN    TRP   27   3.07 +/- 0.25  90.969% * 99.6559% (0.99  10.0   5.64 106.70) =  99.997%  kept
          HB2   PHE   97 - HN    TRP   27  17.84 +/- 2.83   0.808% *  0.0986% (0.98   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HN    TRP   27  16.23 +/- 3.05   1.145% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    TRP   27  17.94 +/- 3.96   1.222% *  0.0413% (0.41   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    TRP   27  17.90 +/- 3.64   0.742% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  16.82 +/- 4.75   1.513% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  17.44 +/- 1.75   0.649% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  16.12 +/- 2.49   0.799% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  20.38 +/- 4.06   0.378% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  19.88 +/- 1.52   0.359% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  17.01 +/- 3.51   0.770% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  23.80 +/- 1.60   0.211% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  21.90 +/- 3.30   0.320% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  28.85 +/- 1.69   0.116% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.704, residual support = 1.39:
          HB3   CYS   21 - HN    TRP   27   4.76 +/- 2.11  84.503% * 96.1323% (0.53   0.71   1.39) =  99.766%  kept
          HG2   MET   96 - HN    TRP   27  15.39 +/- 3.23   4.811% *  3.1425% (0.61   0.02   0.02) =   0.186%  kept
          HG2   MET   96 - HN    ALA   91  15.97 +/- 2.01   6.290% *  0.3883% (0.07   0.02   0.02) =   0.030%
          HB3   CYS   21 - HN    ALA   91  20.74 +/- 3.97   4.396% *  0.3368% (0.07   0.02   0.02) =   0.018%
    Distance limit 4.39 A violated in 7 structures by 1.12 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.45, residual support = 22.6:
          QG2   THR   26 - HN    TRP   27   3.27 +/- 0.48  79.667% * 97.5906% (0.98   4.45  22.64) =  99.959%  kept
          HB2   LYS+  74 - HN    TRP   27  11.79 +/- 3.40   2.856% *  0.3581% (0.80   0.02   0.02) =   0.013%
          QD    LYS+  66 - HN    TRP   27  18.55 +/- 3.96   1.667% *  0.3418% (0.76   0.02   0.02) =   0.007%
          HG2   LYS+  65 - HN    TRP   27  17.73 +/- 2.94   0.780% *  0.4462% (1.00   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HN    TRP   27  22.56 +/- 5.04   0.713% *  0.4462% (1.00   0.02   0.02) =   0.004%
          HG    LEU  104 - HN    TRP   27  17.77 +/- 4.52   2.015% *  0.1243% (0.28   0.02   0.02) =   0.003%
          QD    LYS+  66 - HN    ALA   91  21.16 +/- 4.89   3.619% *  0.0422% (0.09   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    TRP   27  14.18 +/- 3.37   1.796% *  0.0783% (0.18   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HN    TRP   27  21.85 +/- 5.18   0.818% *  0.1243% (0.28   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    TRP   27  16.16 +/- 2.12   0.945% *  0.0885% (0.20   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    TRP   27  26.04 +/- 3.80   0.516% *  0.0885% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    ALA   91  20.69 +/- 4.48   0.665% *  0.0551% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  17.20 +/- 1.61   0.661% *  0.0442% (0.10   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  20.86 +/- 3.26   0.407% *  0.0542% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  23.77 +/- 2.72   0.326% *  0.0551% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  16.36 +/- 2.14   0.918% *  0.0109% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  16.31 +/- 2.33   0.833% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  23.76 +/- 2.79   0.320% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  23.83 +/- 1.83   0.239% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  24.64 +/- 2.06   0.239% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (0.58, 7.73, 123.24 ppm):
    16 chemical-shift based assignments, quality = 0.912, support = 2.83, residual support = 13.2:
          QD1   LEU   73 - HN    TRP   27   6.78 +/- 4.26  25.491% * 54.4870% (1.00   2.98  17.39) =  62.028%  kept
          QD2   LEU   80 - HN    TRP   27  10.83 +/- 8.45  20.388% * 38.7939% (0.76   2.77   6.92) =  35.322%  kept
          QD1   LEU   63 - HN    TRP   27  14.00 +/- 3.90   9.891% *  4.0266% (1.00   0.22   0.02) =   1.779%  kept
          QD2   LEU  115 - HN    TRP   27  18.01 +/- 4.25   8.339% *  1.2314% (0.80   0.08   0.02) =   0.459%  kept
          QD1   LEU  104 - HN    TRP   27  14.82 +/- 4.38   8.493% *  0.7443% (0.53   0.08   0.02) =   0.282%  kept
          QD2   LEU   63 - HN    TRP   27  14.04 +/- 3.63   6.717% *  0.2220% (0.61   0.02   0.02) =   0.067%
          QG1   VAL   83 - HN    TRP   27  13.28 +/- 7.40   4.306% *  0.2199% (0.15   0.08   0.02) =   0.042%
          QG2   VAL   41 - HN    TRP   27  10.31 +/- 3.05   3.690% *  0.0495% (0.14   0.02   0.11) =   0.008%
          QD2   LEU   80 - HN    ALA   91  11.88 +/- 1.77   3.358% *  0.0346% (0.09   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    ALA   91  14.68 +/- 2.11   1.155% *  0.0362% (0.10   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    ALA   91  15.93 +/- 3.10   0.839% *  0.0451% (0.12   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    ALA   91   9.89 +/- 1.73   5.239% *  0.0070% (0.02   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    ALA   91  15.03 +/- 2.28   0.785% *  0.0451% (0.12   0.02   0.02) =   0.002%
          QD2   LEU   63 - HN    ALA   91  17.11 +/- 2.66   0.637% *  0.0274% (0.07   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  20.26 +/- 2.16   0.280% *  0.0238% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  17.91 +/- 1.24   0.392% *  0.0061% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.913, support = 0.02, residual support = 0.933:
          QG2   VAL   75 - HN    TRP   27   9.42 +/- 4.23  47.610% * 43.3149% (0.95   0.02   1.35) =  66.054%  kept
          QG2   VAL   42 - HN    TRP   27  12.58 +/- 1.83  19.254% * 45.6877% (1.00   0.02   0.13) =  28.177%  kept
          QG2   VAL   75 - HN    ALA   91  11.66 +/- 1.60  23.725% *  5.3521% (0.12   0.02   0.02) =   4.067%  kept
          QG2   VAL   42 - HN    ALA   91  15.69 +/- 1.24   9.411% *  5.6453% (0.12   0.02   0.02) =   1.702%  kept
    Distance limit 4.59 A violated in 18 structures by 3.08 A, eliminated.
    Peak unassigned.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.7, residual support = 106.6:
          HA    TRP   27 - HE1   TRP   27   6.26 +/- 0.23  88.259% * 98.3445% (1.00   2.70 106.70) =  99.918%  kept
          HA    ALA   91 - HE1   TRP   27  18.46 +/- 4.84   5.619% *  0.6905% (0.95   0.02   0.02) =   0.045%
          HA    VAL  107 - HE1   TRP   27  18.40 +/- 2.72   4.118% *  0.6097% (0.84   0.02   0.02) =   0.029%
          HA    PRO   52 - HE1   TRP   27  23.13 +/- 2.17   2.004% *  0.3553% (0.49   0.02   0.02) =   0.008%
    Distance limit 4.96 A violated in 0 structures by 1.30 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 1.41, residual support = 11.0:
          QD1   LEU   73 - HE1   TRP   27   7.27 +/- 3.48  20.603% * 40.2572% (0.87   1.69  17.39) =  47.962%  kept
          QD2   LEU   80 - HE1   TRP   27   9.91 +/- 8.15  16.525% * 39.6545% (0.99   1.46   6.92) =  37.892%  kept
          QG1   VAL   83 - HE1   TRP   27  10.14 +/- 8.56  23.908% *  3.9267% (0.41   0.35   0.02) =   5.429%  kept
          QD2   LEU  115 - HE1   TRP   27  15.87 +/- 3.81   8.927% * 10.2856% (1.00   0.38   0.02) =   5.310%  kept
          QD1   LEU   63 - HE1   TRP   27  12.74 +/- 3.70   9.924% *  5.2474% (0.87   0.22   0.02) =   3.011%  kept
          QD1   LEU  104 - HE1   TRP   27  12.82 +/- 4.29  11.704% *  0.4760% (0.87   0.02   0.02) =   0.322%  kept
          QD2   LEU   63 - HE1   TRP   27  13.05 +/- 3.60   8.410% *  0.1526% (0.28   0.02   0.02) =   0.074%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.508, support = 1.7, residual support = 17.5:
          QD2   LEU   31 - HE1   TRP   27   3.79 +/- 0.71  70.887% * 49.8120% (0.31   2.13  22.96) =  70.732%  kept
          QG2   VAL   43 - HE1   TRP   27   7.59 +/- 3.82  29.113% * 50.1880% (0.99   0.67   4.40) =  29.268%  kept
    Distance limit 3.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.75, residual support = 31.8:
          HB2   GLU-  25 - HN    THR   26   2.77 +/- 0.33  85.883% * 98.9868% (0.90   5.75  31.79) =  99.983%  kept
          HG3   GLU-  29 - HN    THR   26   5.50 +/- 0.53  11.844% *  0.0760% (0.20   0.02   0.77) =   0.011%
          QG    GLN   17 - HN    THR   26  13.64 +/- 2.88   1.108% *  0.3073% (0.80   0.02   0.02) =   0.004%
          HB    VAL   70 - HN    THR   26  17.49 +/- 2.09   0.390% *  0.2787% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    THR   26  19.81 +/- 1.46   0.264% *  0.2328% (0.61   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    THR   26  17.09 +/- 2.91   0.511% *  0.1185% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.565, support = 5.22, residual support = 31.7:
          HB3   GLU-  25 - HN    THR   26   3.38 +/- 0.18  70.317% * 95.4742% (0.57   5.23  31.79) =  99.837%  kept
          HG3   GLN   30 - HN    THR   26   7.28 +/- 0.97   8.170% *  0.5389% (0.84   0.02   4.85) =   0.065%
          HB2   GLN   30 - HN    THR   26   7.68 +/- 1.20   8.215% *  0.3394% (0.53   0.02   4.85) =   0.041%
          HB2   GLN   17 - HN    THR   26  15.10 +/- 3.68   2.438% *  0.4930% (0.76   0.02   0.02) =   0.018%
          QB    GLU-  15 - HN    THR   26  15.47 +/- 2.27   1.068% *  0.4930% (0.76   0.02   0.02) =   0.008%
          QB    GLU- 114 - HN    THR   26  23.82 +/- 4.87   3.004% *  0.1609% (0.25   0.02   0.02) =   0.007%
          HB    ILE   19 - HN    THR   26   9.77 +/- 1.24   3.718% *  0.1277% (0.20   0.02   0.02) =   0.007%
          HB3   GLU- 100 - HN    THR   26  19.83 +/- 3.49   0.879% *  0.3913% (0.61   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    THR   26  21.35 +/- 3.81   0.435% *  0.6437% (1.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    THR   26  24.53 +/- 5.08   0.479% *  0.3394% (0.53   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    THR   26  28.84 +/- 4.29   0.232% *  0.5389% (0.84   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    THR   26  26.03 +/- 4.44   0.409% *  0.1609% (0.25   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  24.74 +/- 3.46   0.226% *  0.1991% (0.31   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR   26  21.59 +/- 3.73   0.407% *  0.0995% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.45, residual support = 34.8:
          QG2   THR   26 - HN    THR   26   3.51 +/- 0.22  91.335% * 98.0817% (0.95   4.45  34.82) =  99.973%  kept
          HB2   LYS+  74 - HN    THR   26  13.37 +/- 3.62   2.384% *  0.4616% (0.99   0.02   0.02) =   0.012%
          QD    LYS+  66 - HN    THR   26  19.95 +/- 4.36   1.683% *  0.2088% (0.45   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HN    THR   26  19.23 +/- 3.09   0.775% *  0.4177% (0.90   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HN    THR   26  24.63 +/- 5.31   0.592% *  0.3890% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  18.13 +/- 2.34   0.864% *  0.2088% (0.45   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    THR   26  23.90 +/- 4.45   1.531% *  0.1161% (0.25   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    THR   26  22.78 +/- 4.67   0.836% *  0.1161% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.88 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 = 0.657, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26  10.00 +/- 0.28  28.689% * 11.0578% (0.69   0.02   0.02) =  33.880%  kept
          HB3   LEU   80 - HN    THR   26  16.42 +/- 9.20  20.360% *  8.4695% (0.53   0.02   0.02) =  18.416%  kept
          HG2   LYS+  99 - HN    THR   26  19.83 +/- 3.31   5.571% * 15.5357% (0.97   0.02   0.02) =   9.244%  kept
          QG2   THR   77 - HN    THR   26  15.52 +/- 3.70  10.158% *  7.8357% (0.49   0.02   0.02) =   8.501%  kept
          HG2   LYS+  38 - HN    THR   26  19.23 +/- 1.51   4.176% * 16.0623% (1.00   0.02   0.02) =   7.163%  kept
          HB2   LEU   63 - HN    THR   26  19.09 +/- 3.71   9.600% *  6.6181% (0.41   0.02   0.02) =   6.785%  kept
          QB    ALA   88 - HN    THR   26  21.44 +/- 5.57   4.170% * 13.9639% (0.87   0.02   0.02) =   6.218%  kept
          HG2   LYS+ 111 - HN    THR   26  29.41 +/- 4.43   2.742% * 12.3026% (0.76   0.02   0.02) =   3.603%  kept
          HB3   ASP-  44 - HN    THR   26  17.18 +/- 2.22   6.532% *  4.9686% (0.31   0.02   0.02) =   3.466%  kept
          QB    ALA  124 - HN    THR   26  23.57 +/- 5.41   8.002% *  3.1858% (0.20   0.02   0.02) =   2.723%  kept
    Distance limit 4.65 A violated in 20 structures by 4.19 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 34.4:
      O   HA    VAL   24 - HN    GLU-  25   3.60 +/- 0.03  97.532% * 99.8455% (0.92  10.0   5.65  34.44) =  99.999%  kept
          HD2   PRO   68 - HN    GLU-  25  21.60 +/- 4.18   0.955% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    GLU-  25  19.22 +/- 2.53   0.850% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  19.47 +/- 1.54   0.664% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 127.5:
      O   HB2   GLU-  25 - HN    GLU-  25   3.02 +/- 0.29  86.952% * 99.5608% (0.61  10.0   6.14 127.50) =  99.991%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.16 +/- 0.53   7.205% *  0.0736% (0.45   1.0   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    GLU-  25   8.91 +/- 0.65   3.896% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    GLU-  25  15.31 +/- 2.63   0.958% *  0.0799% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  21.60 +/- 1.49   0.268% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  18.66 +/- 2.53   0.466% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  23.93 +/- 5.45   0.256% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 5.87, residual support = 127.5:
      O   HB3   GLU-  25 - HN    GLU-  25   2.29 +/- 0.53  89.451% * 98.7761% (0.57  10.0   5.87 127.50) =  99.989%  kept
          HG3   GLN   30 - HN    GLU-  25   9.64 +/- 0.90   2.236% *  0.1457% (0.84   1.0   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    GLU-  25   9.61 +/- 1.16   2.442% *  0.0918% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    GLU-  25  17.01 +/- 3.54   0.815% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  25  23.82 +/- 5.08   1.809% *  0.0435% (0.25   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    GLU-  25  17.38 +/- 2.53   0.453% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    GLU-  25  22.63 +/- 4.15   0.295% *  0.1741% (1.00   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  25  11.73 +/- 1.08   1.038% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.88 +/- 4.26   0.477% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  21.13 +/- 3.41   0.194% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  25.01 +/- 5.49   0.187% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  28.67 +/- 4.43   0.114% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  22.80 +/- 4.29   0.391% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  24.49 +/- 3.80   0.099% *  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 = 3.34, residual support = 6.42:
          QG2   THR   23 - HN    GLU-  25   4.05 +/- 0.82  90.121% * 98.6471% (0.73   3.34   6.42) =  99.959%  kept
          QG2   THR   77 - HN    GLU-  25  14.97 +/- 3.90   2.993% *  0.5900% (0.73   0.02   0.02) =   0.020%
          QB    ALA   34 - HN    GLU-  25  12.00 +/- 0.90   4.212% *  0.3049% (0.38   0.02   0.02) =   0.014%
          QB    ALA   88 - HN    GLU-  25  20.34 +/- 5.90   1.320% *  0.2771% (0.34   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    GLU-  25  19.71 +/- 3.10   1.354% *  0.1809% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.58, residual support = 34.4:
          QG2   VAL   24 - HN    GLU-  25   3.21 +/- 0.43  96.392% * 99.2406% (0.97   4.58  34.44) =  99.987%  kept
          HG    LEU   63 - HN    GLU-  25  20.19 +/- 4.58   2.714% *  0.3896% (0.87   0.02   0.02) =   0.011%
          QG1   VAL  107 - HN    GLU-  25  19.40 +/- 3.14   0.622% *  0.1685% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    GLU-  25  26.79 +/- 4.82   0.272% *  0.2013% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 127.5:
          HG2   GLU-  25 - HN    GLU-  25   3.94 +/- 0.66  95.274% * 99.4318% (0.97   5.28 127.50) =  99.993%  kept
          HB3   PHE   95 - HN    GLU-  25  20.18 +/- 2.34   1.143% *  0.1900% (0.49   0.02   0.02) =   0.002%
          HG2   GLN  116 - HN    GLU-  25  26.85 +/- 5.92   1.289% *  0.1604% (0.41   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    GLU-  25  21.43 +/- 6.65   1.237% *  0.1205% (0.31   0.02   0.02) =   0.002%
          HG3   GLN  116 - HN    GLU-  25  27.55 +/- 5.94   1.058% *  0.0973% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 65.0:
      O   HA    VAL   24 - HN    VAL   24   2.73 +/- 0.05  98.668% * 99.8455% (0.92  10.0   4.34  64.99) =  99.999%  kept
          HD2   PRO   68 - HN    VAL   24  20.56 +/- 4.20   0.505% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   24  17.43 +/- 2.85   0.554% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.03 +/- 1.74   0.274% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 65.0:
      O   HB    VAL   24 - HN    VAL   24   2.40 +/- 0.24  93.907% * 99.7135% (0.95  10.0   4.68  64.99) =  99.998%  kept
          HB3   GLU-  79 - HN    VAL   24  11.98 +/- 8.21   4.830% *  0.0163% (0.15   1.0   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    VAL   24  12.11 +/- 0.63   0.810% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    VAL   24  21.98 +/- 4.24   0.275% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  22.12 +/- 3.13   0.178% *  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 = 5.43, residual support = 25.7:
          QG2   THR   23 - HN    VAL   24   3.80 +/- 0.69  89.233% * 99.1622% (0.73   5.43  25.75) =  99.970%  kept
          QG2   THR   77 - HN    VAL   24  13.10 +/- 3.91   4.182% *  0.3654% (0.73   0.02   0.02) =   0.017%
          QB    ALA   34 - HN    VAL   24  12.35 +/- 0.96   3.248% *  0.1888% (0.38   0.02   0.02) =   0.007%
          QB    ALA   88 - HN    VAL   24  18.85 +/- 5.69   1.683% *  0.1716% (0.34   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    VAL   24  18.03 +/- 3.17   1.654% *  0.1120% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.838, support = 4.18, residual support = 65.0:
          QG1   VAL   24 - HN    VAL   24   2.22 +/- 0.44  73.792% * 77.1645% (0.90   4.08  64.99) =  91.614%  kept
          QG2   VAL   24 - HN    VAL   24   3.62 +/- 0.16  23.764% * 21.9034% (0.20   5.25  64.99) =   8.375%  kept
          QG1   VAL  107 - HN    VAL   24  18.23 +/- 3.21   0.888% *  0.4176% (0.99   0.02   0.02) =   0.006%
          HD3   LYS+ 112 - HN    VAL   24  25.94 +/- 5.47   0.661% *  0.3374% (0.80   0.02   0.02) =   0.004%
          HB3   LEU   31 - HN    VAL   24  12.68 +/- 0.53   0.476% *  0.0938% (0.22   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    VAL   24  22.03 +/- 5.08   0.420% *  0.0834% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.857, support = 1.83, residual support = 3.42:
          QD2   LEU   80 - HN    VAL   24   9.51 +/- 8.59  33.794% * 40.8517% (0.76   2.20   5.26) =  57.826%  kept
          QD1   LEU   73 - HN    VAL   24   8.47 +/- 3.82  20.388% * 37.7341% (1.00   1.56   1.16) =  32.225%  kept
          QD1   LEU   63 - HN    VAL   24  15.06 +/- 4.30  12.248% * 16.3823% (1.00   0.68   0.02) =   8.405%  kept
          QD2   LEU   63 - HN    VAL   24  15.35 +/- 4.06   7.078% *  4.2459% (0.61   0.29   0.02) =   1.259%  kept
          QD2   LEU  115 - HN    VAL   24  18.53 +/- 4.53   9.742% *  0.3893% (0.80   0.02   0.02) =   0.159%  kept
          QD1   LEU  104 - HN    VAL   24  17.15 +/- 4.67   9.947% *  0.2558% (0.53   0.02   0.02) =   0.107%  kept
          QG1   VAL   83 - HN    VAL   24  12.45 +/- 7.36   4.511% *  0.0750% (0.15   0.02   0.02) =   0.014%
          QG2   VAL   41 - HN    VAL   24  12.77 +/- 2.50   2.292% *  0.0658% (0.14   0.02   0.02) =   0.006%
    Distance limit 3.86 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 4.97, residual support = 21.5:
          HB2   HIS   22 - HN    THR   23   4.34 +/- 0.28  93.373% * 88.4142% (0.99   5.00  21.67) =  99.263%  kept
          HA    LEU   63 - HN    THR   23  17.39 +/- 3.84   5.305% * 11.5375% (0.84   0.77   0.02) =   0.736%  kept
          HA2   GLY  101 - HN    THR   23  20.85 +/- 3.62   1.323% *  0.0483% (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 = 5.61, residual support = 21.7:
          HB3   HIS   22 - HN    THR   23   4.32 +/- 0.24  93.645% * 99.7167% (0.76   5.61  21.67) =  99.991%  kept
          HD3   ARG+  54 - HN    THR   23  22.61 +/- 5.18   2.216% *  0.1912% (0.41   0.02   0.02) =   0.005%
          HB2   PHE   95 - HN    THR   23  18.90 +/- 2.82   4.139% *  0.0920% (0.20   0.02   0.02) =   0.004%
    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 = 2.06, residual support = 3.37:
          HB3   CYS   21 - HN    THR   23   4.25 +/- 1.12 100.000% *100.0000% (1.00   2.06   3.37) = 100.000%  kept
    Distance limit 4.57 A violated in 0 structures by 0.38 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.727, support = 1.96, residual support = 13.3:
          QG2   THR   26 - HN    THR   23   4.25 +/- 0.57  70.381% * 88.9808% (0.73   1.98  13.51) =  98.653%  kept
          HB2   LYS+  74 - HN    THR   23  10.21 +/- 4.63  10.393% *  7.1420% (0.95   0.12   0.02) =   1.169%  kept
          HG    LEU  115 - HN    THR   23  21.50 +/- 4.64   7.896% *  0.6019% (0.49   0.02   0.02) =   0.075%
          HG2   LYS+  65 - HN    THR   23  16.25 +/- 3.64   2.078% *  0.8000% (0.65   0.02   0.02) =   0.026%
          HB3   LEU   40 - HN    THR   23  17.72 +/- 2.57   1.566% *  0.8980% (0.73   0.02   0.02) =   0.022%
          HD2   LYS+ 121 - HN    THR   23  23.25 +/- 5.06   1.883% *  0.7001% (0.57   0.02   0.02) =   0.021%
          QD    LYS+  66 - HN    THR   23  17.74 +/- 4.50   4.141% *  0.2753% (0.22   0.02   0.02) =   0.018%
          QB    ALA  120 - HN    THR   23  21.39 +/- 4.57   1.662% *  0.6019% (0.49   0.02   0.02) =   0.016%
    Distance limit 4.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.88, residual support = 19.1:
          QG2   THR   23 - HN    THR   23   3.03 +/- 0.55  94.386% * 97.7620% (0.41   4.88  19.10) =  99.969%  kept
          QG2   THR   77 - HN    THR   23  13.28 +/- 4.17   2.106% *  0.9400% (0.97   0.02   0.02) =   0.021%
          QB    ALA   88 - HN    THR   23  20.11 +/- 5.30   0.634% *  0.6301% (0.65   0.02   0.02) =   0.004%
          QB    ALA   34 - HN    THR   23  11.54 +/- 1.21   2.104% *  0.1503% (0.15   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HN    THR   23  20.67 +/- 1.71   0.349% *  0.3006% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    THR   23  20.43 +/- 3.08   0.420% *  0.2169% (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 = 0.451, support = 1.07, residual support = 0.467:
          QD1   LEU   73 - HN    THR   23   7.35 +/- 4.09  24.132% * 22.5556% (0.53   0.64   0.17) =  33.270%  kept
          QD2   LEU   80 - HN    THR   23  10.60 +/- 8.21  18.357% * 29.3025% (0.20   2.21   0.86) =  32.878%  kept
          QD1   LEU   80 - HN    THR   23  11.43 +/- 8.52  18.747% * 12.5941% (0.45   0.42   0.86) =  14.431%  kept
          QD2   LEU   63 - HN    THR   23  14.01 +/- 3.84   8.846% * 17.3580% (1.00   0.26   0.02) =   9.385%  kept
          QD1   LEU   63 - HN    THR   23  13.92 +/- 3.86   9.330% * 16.4248% (0.53   0.47   0.02) =   9.367%  kept
          QG2   VAL   41 - HN    THR   23  11.84 +/- 3.12   4.886% *  0.8664% (0.65   0.02   0.02) =   0.259%  kept
          QD2   LEU   98 - HN    THR   23  13.78 +/- 2.98   6.681% *  0.6005% (0.45   0.02   0.02) =   0.245%  kept
          QD2   LEU  115 - HN    THR   23  17.75 +/- 4.26   9.021% *  0.2982% (0.22   0.02   0.02) =   0.164%  kept
    Distance limit 3.94 A violated in 2 structures by 0.68 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 35.3:
      O   HB3   HIS   22 - HN    HIS   22   3.08 +/- 0.60  97.500% * 99.9260% (0.98  10.0   3.46  35.33) =  99.998%  kept
          HD3   ARG+  54 - HN    HIS   22  22.78 +/- 5.43   2.500% *  0.0740% (0.73   1.0   0.02   0.02) =   0.002%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.264, support = 6.61, residual support = 167.6:
          HG3   ARG+  54 - HN    ARG+  54   3.57 +/- 0.76  49.113% * 95.0867% (0.26   6.64 168.40) =  99.516%  kept
          QB    ALA   57 - HN    ARG+  54   5.87 +/- 1.63  20.795% *  0.7873% (0.72   0.02   0.02) =   0.349%  kept
          QB    ALA   57 - HN    ASP-  62   6.30 +/- 1.18  14.537% *  0.1473% (0.14   0.02   0.02) =   0.046%
          HB3   LEU  123 - HN    ARG+  54  20.69 +/- 3.95   1.140% *  1.0098% (0.93   0.02   0.02) =   0.025%
          HD2   LYS+  74 - HN    ARG+  54  14.46 +/- 2.82   2.475% *  0.4619% (0.42   0.02   0.02) =   0.024%
          HD3   LYS+ 111 - HN    ARG+  54  15.25 +/- 2.86   0.914% *  0.8249% (0.76   0.02   0.02) =   0.016%
          HG3   ARG+  54 - HN    ASP-  62  11.75 +/- 2.73   5.578% *  0.0536% (0.05   0.02   0.02) =   0.006%
          HB3   LEU  123 - HN    ASP-  62  14.23 +/- 2.02   1.341% *  0.1889% (0.17   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HN    ASP-  62  10.79 +/- 3.01   2.896% *  0.0864% (0.08   0.02   0.02) =   0.005%
          QD    LYS+  33 - HN    ARG+  54  25.24 +/- 3.52   0.191% *  1.0098% (0.93   0.02   0.02) =   0.004%
          QD    LYS+  33 - HN    ASP-  62  18.73 +/- 2.71   0.475% *  0.1889% (0.17   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HN    ASP-  62  17.35 +/- 2.58   0.545% *  0.1544% (0.14   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 = 3.43, residual support = 30.3:
      O   HB2   CYS   21 - HN    CYS   21   2.68 +/- 0.38  94.655% * 99.8975% (0.90  10.0   3.43  30.28) =  99.999%  kept
          HB2   CYS   21 - HN    ILE  119  18.71 +/- 5.30   1.941% *  0.0316% (0.28   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 111 - HN    ILE  119  12.07 +/- 1.76   1.482% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    CYS   21  15.39 +/- 4.11   0.775% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  23.10 +/- 3.72   0.386% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  14.92 +/- 1.92   0.760% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.43, residual support = 30.3:
      O   HB3   CYS   21 - HN    CYS   21   3.36 +/- 0.39  92.564% * 99.8170% (0.53  10.0   3.43  30.28) =  99.995%  kept
          HG2   MET   96 - HN    CYS   21  15.41 +/- 3.32   2.165% *  0.1151% (0.61   1.0   0.02   0.02) =   0.003%
          HB3   CYS   21 - HN    ILE  119  19.40 +/- 5.43   3.650% *  0.0315% (0.17   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  14.23 +/- 2.33   1.622% *  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 = 0.512, support = 0.49, residual support = 0.579:
          HB    VAL   41 - HN    CYS   21  12.09 +/- 4.12   9.434% * 47.3203% (0.80   0.44   0.40) =  43.273%  kept
          HG    LEU  123 - HN    ILE  119   7.17 +/- 1.19  17.769% * 22.4597% (0.32   0.53   1.04) =  38.684%  kept
          HB3   ASP- 105 - HN    ILE  119   9.68 +/- 4.15  13.217% *  9.8424% (0.10   0.75   0.02) =  12.609%  kept
          HG    LEU  123 - HN    CYS   21  20.57 +/- 5.56   6.390% *  2.6852% (1.00   0.02   0.02) =   1.663%  kept
          HG2   ARG+  54 - HN    CYS   21  19.86 +/- 5.04   4.678% *  0.9180% (0.34   0.02   0.02) =   0.416%  kept
          QB    LYS+  66 - HN    CYS   21  14.15 +/- 3.01   2.597% *  1.6323% (0.61   0.02   0.02) =   0.411%  kept
          HG3   PRO   68 - HN    CYS   21  17.11 +/- 3.78   3.658% *  1.1064% (0.41   0.02   0.02) =   0.392%  kept
          QB    LYS+  66 - HN    ILE  119  11.99 +/- 3.38   7.623% *  0.5158% (0.19   0.02   0.02) =   0.381%  kept
          HG12  ILE  103 - HN    CYS   21  16.89 +/- 3.13   1.447% *  2.4842% (0.92   0.02   0.02) =   0.349%  kept
          QB    LYS+  33 - HN    CYS   21  11.31 +/- 1.68   5.277% *  0.5991% (0.22   0.02   0.02) =   0.306%  kept
          HB3   PRO   52 - HN    CYS   21  21.72 +/- 3.77   0.900% *  2.6852% (1.00   0.02   0.02) =   0.234%  kept
          HB3   PRO   52 - HN    ILE  119  16.29 +/- 2.60   2.121% *  0.8485% (0.32   0.02   0.02) =   0.174%  kept
          HG2   PRO   93 - HN    ILE  119  13.40 +/- 2.07   5.625% *  0.2901% (0.11   0.02   0.02) =   0.158%  kept
          HB    VAL   41 - HN    ILE  119  15.08 +/- 1.81   2.074% *  0.6809% (0.25   0.02   0.02) =   0.137%  kept
          HG12  ILE  103 - HN    ILE  119  16.11 +/- 3.05   1.777% *  0.7850% (0.29   0.02   0.02) =   0.135%  kept
          HB    ILE  103 - HN    CYS   21  18.73 +/- 3.40   1.187% *  1.0100% (0.38   0.02   0.02) =   0.116%  kept
          HG3   PRO   68 - HN    ILE  119  15.73 +/- 4.19   3.349% *  0.3496% (0.13   0.02   0.02) =   0.113%  kept
          HB3   ASP- 105 - HN    CYS   21  18.36 +/- 3.47   1.409% *  0.8306% (0.31   0.02   0.02) =   0.113%  kept
          HG2   PRO   93 - HN    CYS   21  19.60 +/- 2.66   0.962% *  0.9180% (0.34   0.02   0.02) =   0.086%
          QB    LYS+ 102 - HN    CYS   21  17.68 +/- 3.34   1.631% *  0.4713% (0.18   0.02   0.02) =   0.075%
          HB    ILE  103 - HN    ILE  119  16.47 +/- 3.33   1.677% *  0.3192% (0.12   0.02   0.02) =   0.052%
          HG2   ARG+  54 - HN    ILE  119  16.62 +/- 1.98   1.384% *  0.2901% (0.11   0.02   0.02) =   0.039%
          HB3   GLN   90 - HN    CYS   21  22.94 +/- 4.81   0.734% *  0.4713% (0.18   0.02   0.02) =   0.034%
          QB    LYS+ 102 - HN    ILE  119  17.22 +/- 3.35   1.640% *  0.1489% (0.06   0.02   0.02) =   0.024%
          QB    LYS+  33 - HN    ILE  119  20.79 +/- 3.42   0.748% *  0.1893% (0.07   0.02   0.02) =   0.014%
          HB3   GLN   90 - HN    ILE  119  23.67 +/- 2.56   0.692% *  0.1489% (0.06   0.02   0.02) =   0.010%
    Distance limit 3.67 A violated in 14 structures by 2.05 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.586, support = 5.61, residual support = 122.6:
          QB    ALA   20 - HN    CYS   21   3.56 +/- 0.08  34.109% * 54.4216% (0.80   3.90  16.82) =  56.486%  kept
          HG13  ILE  119 - HN    ILE  119   3.63 +/- 0.73  33.383% * 42.5576% (0.31   7.88 261.55) =  43.231%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.34 +/- 0.69   4.381% *  1.5710% (0.13   0.69   7.60) =   0.209%  kept
          QG1   VAL   24 - HN    CYS   21   8.04 +/- 1.54   9.253% *  0.1077% (0.31   0.02   0.02) =   0.030%
          HG2   LYS+ 121 - HN    CYS   21  20.65 +/- 5.19   2.684% *  0.1435% (0.41   0.02   0.02) =   0.012%
          HB3   LEU   31 - HN    CYS   21  12.43 +/- 1.14   0.872% *  0.3368% (0.97   0.02   0.02) =   0.009%
          QG2   VAL  107 - HN    ILE  119   7.12 +/- 2.36   7.535% *  0.0245% (0.07   0.02   0.02) =   0.006%
          HG13  ILE  119 - HN    CYS   21  17.55 +/- 4.02   0.464% *  0.3420% (0.98   0.02   0.02) =   0.005%
          QG1   VAL   24 - HN    ILE  119  19.30 +/- 5.27   3.959% *  0.0340% (0.10   0.02   0.02) =   0.004%
          HD3   LYS+ 112 - HN    CYS   21  22.80 +/- 5.18   0.559% *  0.1435% (0.41   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    ILE  119  11.09 +/- 1.41   1.445% *  0.0453% (0.13   0.02   0.02) =   0.002%
          QG2   VAL  107 - HN    CYS   21  16.23 +/- 2.48   0.783% *  0.0777% (0.22   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    ILE  119  18.04 +/- 3.23   0.323% *  0.0883% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  19.33 +/- 3.02   0.250% *  0.1064% (0.30   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.573, support = 1.76, residual support = 5.33:
          QD2   LEU   73 - HN    CYS   21   6.45 +/- 3.50  23.122% * 48.7055% (0.57   2.14   7.55) =  68.477%  kept
          QD1   ILE   19 - HN    CYS   21   5.89 +/- 0.95  17.419% * 12.8747% (0.22   1.44   0.84) =  13.637%  kept
          QG1   VAL   41 - HN    CYS   21  10.78 +/- 3.26   6.820% * 29.5681% (0.98   0.75   0.40) =  12.261%  kept
          QG2   VAL   18 - HN    CYS   21   6.28 +/- 0.95  14.335% *  5.6671% (0.65   0.22   0.02) =   4.940%  kept
          QG1   VAL   43 - HN    CYS   21  10.15 +/- 3.67   5.871% *  0.6978% (0.87   0.02   0.02) =   0.249%  kept
          HG    LEU   31 - HN    CYS   21  10.12 +/- 1.23   2.982% *  0.5841% (0.73   0.02   0.02) =   0.106%  kept
          QG2   THR   46 - HN    CYS   21  11.74 +/- 4.42   3.380% *  0.4232% (0.53   0.02   0.02) =   0.087%
          QD1   ILE   56 - HN    CYS   21  15.03 +/- 3.94   5.002% *  0.2483% (0.31   0.02   0.02) =   0.076%
          QD2   LEU   73 - HN    ILE  119  13.21 +/- 3.45   5.781% *  0.1439% (0.18   0.02   0.02) =   0.051%
          QD1   ILE   56 - HN    ILE  119   7.95 +/- 0.95   6.498% *  0.0785% (0.10   0.02   0.02) =   0.031%
          QG1   VAL   43 - HN    ILE  119  12.50 +/- 1.35   1.607% *  0.2205% (0.27   0.02   0.02) =   0.022%
          QG1   VAL   41 - HN    ILE  119  13.51 +/- 1.58   1.410% *  0.2492% (0.31   0.02   0.02) =   0.021%
          QG2   VAL   18 - HN    ILE  119  15.01 +/- 3.38   1.378% *  0.1644% (0.20   0.02   0.02) =   0.014%
          QG2   THR   46 - HN    ILE  119  13.79 +/- 2.22   1.518% *  0.1337% (0.17   0.02   0.02) =   0.012%
          HG    LEU   31 - HN    ILE  119  18.97 +/- 3.55   0.926% *  0.1846% (0.23   0.02   0.02) =   0.010%
          QD1   ILE   19 - HN    ILE  119  16.59 +/- 3.69   1.952% *  0.0566% (0.07   0.02   0.02) =   0.007%
    Distance limit 4.54 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.508, support = 4.23, residual support = 6.39:
          QD1   LEU   73 - HN    CYS   21   6.07 +/- 4.14  22.636% * 50.3885% (0.53   4.83   7.55) =  72.538%  kept
          QD2   LEU  115 - HN    ILE  119   4.60 +/- 1.16  23.550% *  7.1760% (0.07   5.15   8.05) =  10.747%  kept
          QG2   VAL   41 - HN    CYS   21  10.02 +/- 3.92   8.120% * 15.2141% (0.65   1.19   0.40) =   7.857%  kept
          QD2   LEU   63 - HN    CYS   21  11.48 +/- 3.36   4.967% * 19.2958% (1.00   0.98   0.22) =   6.095%  kept
          QD1   LEU   63 - HN    ILE  119   7.80 +/- 2.82   7.784% *  3.2961% (0.17   1.00   0.11) =   1.632%  kept
          QD1   LEU   63 - HN    CYS   21  11.58 +/- 3.11   3.913% *  3.6986% (0.53   0.35   0.22) =   0.920%  kept
          QD1   LEU   80 - HN    CYS   21  12.75 +/- 7.89   6.620% *  0.1777% (0.45   0.02   0.02) =   0.075%
          QD2   LEU   63 - HN    ILE  119   8.27 +/- 2.77   6.566% *  0.1250% (0.32   0.02   0.11) =   0.052%
          QD2   LEU  115 - HN    CYS   21  15.49 +/- 3.67   3.881% *  0.0882% (0.22   0.02   0.02) =   0.022%
          QD2   LEU   80 - HN    CYS   21  11.97 +/- 7.49   4.211% *  0.0784% (0.20   0.02   0.02) =   0.021%
          QD1   LEU   73 - HN    ILE  119  14.51 +/- 4.12   4.365% *  0.0659% (0.17   0.02   0.02) =   0.018%
          QD2   LEU   98 - HN    CYS   21  12.54 +/- 3.18   1.328% *  0.1777% (0.45   0.02   0.02) =   0.015%
          QG2   VAL   41 - HN    ILE  119  13.50 +/- 1.94   0.781% *  0.0810% (0.20   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    ILE  119  13.67 +/- 2.44   0.771% *  0.0561% (0.14   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ILE  119  20.80 +/- 3.46   0.247% *  0.0561% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  20.14 +/- 3.00   0.261% *  0.0248% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.314, support = 5.39, residual support = 45.6:
          HN    THR  118 - HN    ILE  119   2.60 +/- 0.16  76.832% * 46.2138% (0.28   5.79  50.58) =  86.124%  kept
          HN    GLN  116 - HN    ILE  119   4.87 +/- 0.41  12.214% * 44.9516% (0.53   2.98  15.67) =  13.317%  kept
          HN    GLU- 114 - HN    ILE  119   8.03 +/- 0.48   2.794% *  7.1400% (0.95   0.26   0.02) =   0.484%  kept
          HN    PHE   60 - HN    ILE  119   8.80 +/- 1.08   2.844% *  0.6383% (0.14   0.16   0.11) =   0.044%
          HN    LEU   71 - HN    ILE  119  15.49 +/- 3.78   1.590% *  0.5429% (0.95   0.02   0.02) =   0.021%
          HN    LEU   71 - HN    CYS   21  12.73 +/- 3.72   1.203% *  0.1715% (0.30   0.02   0.02) =   0.005%
          HN    GLU- 114 - HN    CYS   21  22.73 +/- 4.69   0.549% *  0.1715% (0.30   0.02   0.02) =   0.002%
          HN    GLN  116 - HN    CYS   21  20.75 +/- 4.61   0.667% *  0.0954% (0.17   0.02   0.02) =   0.002%
          HN    THR  118 - HN    CYS   21  20.15 +/- 4.42   0.480% *  0.0504% (0.09   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    CYS   21  15.32 +/- 3.57   0.828% *  0.0245% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1173 (7.23, 7.92, 121.27 ppm):
    8 chemical-shift based assignments, quality = 0.661, support = 2.78, residual support = 19.1:
          HN    HIS  122 - HN    ILE  119   5.23 +/- 0.20  20.887% * 72.4245% (1.00   2.71  16.05) =  55.508%  kept
          QE    PHE   59 - HN    ILE  119   3.40 +/- 0.66  63.899% * 17.9095% (0.22   3.00  22.93) =  41.992%  kept
          HN    PHE   59 - HN    ILE  119   7.80 +/- 1.03   7.751% *  8.6591% (0.57   0.57  22.93) =   2.463%  kept
          HN    HIS  122 - HN    CYS   21  18.86 +/- 4.85   2.544% *  0.1691% (0.32   0.02   0.02) =   0.016%
          HH2   TRP   87 - HN    ILE  119  21.14 +/- 5.32   0.484% *  0.5351% (1.00   0.02   0.02) =   0.010%
          HH2   TRP   87 - HN    CYS   21  21.29 +/- 7.54   0.704% *  0.1691% (0.32   0.02   0.02) =   0.004%
          QE    PHE   59 - HN    CYS   21  14.42 +/- 3.34   2.799% *  0.0377% (0.07   0.02   0.02) =   0.004%
          HN    PHE   59 - HN    CYS   21  17.07 +/- 3.61   0.932% *  0.0959% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.43, residual support = 16.8:
          HN    ALA   20 - HN    CYS   21   4.22 +/- 0.10  98.396% * 99.8162% (0.95   3.43  16.82) =  99.997%  kept
          HN    ALA   20 - HN    ILE  119  20.77 +/- 3.91   1.604% *  0.1838% (0.30   0.02   0.02) =   0.003%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 5.79, residual support = 52.4:
        T HN    ALA  120 - HN    ILE  119   2.65 +/- 0.21  78.416% * 94.3529% (1.00 10.00   5.83  52.74) =  99.111%  kept
          HE21  GLN  116 - HN    ILE  119   5.83 +/- 1.26  12.799% *  5.1576% (0.80  1.00   1.37  15.67) =   0.884%  kept
        T HN    ALA  120 - HN    CYS   21  20.52 +/- 4.84   0.447% *  0.2981% (0.32 10.00   0.02   0.02) =   0.002%
          HN    ALA   57 - HN    ILE  119  10.99 +/- 1.21   1.327% *  0.0685% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ALA   57 - HN    CYS   21  17.80 +/- 3.95   2.424% *  0.0216% (0.23  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HN    ILE  119  10.61 +/- 0.45   1.287% *  0.0235% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  22.25 +/- 5.96   0.481% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.09 +/- 1.73   1.521% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  22.48 +/- 4.54   0.389% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  22.05 +/- 5.82   0.656% *  0.0074% (0.08  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  25.97 +/- 2.63   0.098% *  0.0187% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  24.23 +/- 5.58   0.156% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.56, residual support = 50.6:
          HB    THR  118 - HN    ILE  119   3.30 +/- 0.24  88.299% * 98.1360% (0.98   5.56  50.58) =  99.983%  kept
          HB    THR   39 - HN    CYS   21  14.47 +/- 3.74   2.801% *  0.0870% (0.24   0.02   0.02) =   0.003%
          QB    SER   13 - HN    CYS   21  13.52 +/- 2.80   2.582% *  0.0827% (0.23   0.02   0.02) =   0.002%
          HB    THR   39 - HN    ILE  119  18.95 +/- 2.66   0.697% *  0.2754% (0.76   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    ILE  119  21.43 +/- 2.77   0.454% *  0.3232% (0.90   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ILE  119  23.94 +/- 5.23   0.558% *  0.2617% (0.73   0.02   0.02) =   0.002%
          HB    THR  118 - HN    CYS   21  18.75 +/- 4.03   1.273% *  0.1116% (0.31   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    CYS   21  15.65 +/- 2.85   1.175% *  0.1021% (0.28   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    ILE  119  21.96 +/- 3.10   0.369% *  0.3232% (0.90   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  19.25 +/- 8.44   1.149% *  0.0468% (0.13   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  21.93 +/- 4.95   0.450% *  0.1021% (0.28   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ILE  119  27.06 +/- 3.33   0.193% *  0.1482% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.895, support = 7.89, residual support = 261.1:
          HG12  ILE  119 - HN    ILE  119   2.86 +/- 0.62  71.920% * 96.4330% (0.90   7.90 261.55) =  99.816%  kept
          HB2   ASP- 105 - HN    ILE  119   9.12 +/- 4.12   7.691% *  1.3812% (0.14   0.75   0.02) =   0.153%  kept
          HB3   PHE   72 - HN    ILE  119  14.06 +/- 3.17   1.520% *  0.2626% (0.97   0.02   0.02) =   0.006%
          HB2   ASP-  44 - HN    ILE  119  12.52 +/- 1.84   1.207% *  0.2441% (0.90   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    CYS   21  10.10 +/- 3.29   2.990% *  0.0830% (0.30   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    CYS   21  10.82 +/- 2.24   2.798% *  0.0794% (0.29   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    CYS   21  11.59 +/- 3.67   2.495% *  0.0771% (0.28   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    CYS   21  17.45 +/- 4.10   1.776% *  0.0771% (0.28   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    CYS   21  10.19 +/- 1.15   2.443% *  0.0452% (0.17   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    ILE  119  24.65 +/- 4.76   0.625% *  0.1432% (0.53   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ILE  119  20.32 +/- 3.70   0.406% *  0.2179% (0.80   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   21  12.90 +/- 1.20   1.160% *  0.0689% (0.25   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ILE  119  22.27 +/- 4.10   0.314% *  0.2512% (0.92   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ILE  119  21.61 +/- 2.24   0.247% *  0.2697% (0.99   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  17.53 +/- 2.38   0.514% *  0.1119% (0.41   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    CYS   21  20.12 +/- 4.61   0.406% *  0.0852% (0.31   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  16.87 +/- 3.25   0.714% *  0.0293% (0.11   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  28.71 +/- 4.81   0.134% *  0.0928% (0.34   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  20.83 +/- 3.05   0.257% *  0.0354% (0.13   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  18.78 +/- 3.42   0.382% *  0.0116% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.57, residual support = 261.5:
      O   HB    ILE  119 - HN    ILE  119   2.24 +/- 0.23  79.989% * 99.0354% (0.92  10.0   7.57 261.55) =  99.990%  kept
          HG3   GLN   30 - HN    CYS   21   7.01 +/- 1.97   5.193% *  0.0336% (0.31   1.0   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    ILE  119  20.75 +/- 4.41   1.310% *  0.1063% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    ILE  119  19.67 +/- 4.19   1.223% *  0.0990% (0.92   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    CYS   21   7.66 +/- 1.88   2.933% *  0.0313% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ILE  119  10.91 +/- 1.66   1.204% *  0.0441% (0.41   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ILE  119  13.63 +/- 2.69   0.449% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  17.00 +/- 3.63   0.427% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  19.24 +/- 4.65   0.990% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.21 +/- 1.91   0.658% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  16.79 +/- 4.52   0.820% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  16.42 +/- 1.76   0.275% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  20.57 +/- 3.91   0.135% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  20.69 +/- 4.54   0.634% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  20.66 +/- 4.45   0.266% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.72 +/- 0.70   0.799% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.57 +/- 1.17   1.106% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  20.74 +/- 4.08   0.192% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.03 +/- 1.20   0.467% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  19.61 +/- 2.73   0.155% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  26.55 +/- 5.49   0.183% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  17.61 +/- 3.04   0.287% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  21.75 +/- 2.84   0.127% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.26 +/- 4.05   0.175% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.904, support = 7.38, residual support = 234.3:
          HG13  ILE  119 - HN    ILE  119   3.63 +/- 0.73  30.321% * 85.2020% (0.99   7.88 261.55) =  89.026%  kept
          QB    ALA   20 - HN    CYS   21   3.56 +/- 0.08  29.790% *  8.1494% (0.19   3.90  16.82) =   8.366%  kept
          QG1   VAL  107 - HN    ILE  119   5.95 +/- 2.84  17.116% *  3.9297% (0.20   1.82   0.02) =   2.318%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.34 +/- 0.69   3.888% *  1.8865% (0.25   0.69   7.60) =   0.253%  kept
          QG1   VAL   24 - HN    ILE  119  19.30 +/- 5.27   3.747% *  0.1063% (0.49   0.02   0.02) =   0.014%
          QG1   VAL   24 - HN    CYS   21   8.04 +/- 1.54   8.457% *  0.0336% (0.15   0.02   0.02) =   0.010%
          HD3   LYS+ 112 - HN    ILE  119  11.09 +/- 1.41   1.288% *  0.1324% (0.61   0.02   0.02) =   0.006%
          HB3   LEU   31 - HN    CYS   21  12.43 +/- 1.14   0.762% *  0.0688% (0.32   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    ILE  119  19.33 +/- 3.02   0.224% *  0.2178% (1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    CYS   21  20.65 +/- 5.19   2.461% *  0.0172% (0.08   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    ILE  119  18.04 +/- 3.23   0.292% *  0.1324% (0.61   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    CYS   21  17.55 +/- 4.02   0.423% *  0.0684% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  22.80 +/- 5.18   0.527% *  0.0418% (0.19   0.02   0.02) =   0.001%
          QG1   VAL  107 - HN    CYS   21  15.83 +/- 2.65   0.705% *  0.0137% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.656, support = 0.02, residual support = 0.848:
          QD1   LEU   67 - HN    ILE  119  11.45 +/- 3.80  11.274% * 15.1858% (0.92   0.02   0.02) =  24.458%  kept
          QD2   LEU   40 - HN    ILE  119  10.79 +/- 2.95   7.842% * 15.5616% (0.95   0.02   0.02) =  17.434%  kept
          QG2   ILE  103 - HN    ILE  119  12.10 +/- 2.92   7.376% * 13.7407% (0.84   0.02   0.02) =  14.478%  kept
          HG3   LYS+  74 - HN    CYS   21   9.39 +/- 5.43  16.704% *  3.7747% (0.23   0.02   7.62) =   9.007%  kept
          QD1   LEU   67 - HN    CYS   21  10.33 +/- 3.67  10.262% *  4.7985% (0.29   0.02   0.02) =   7.035%  kept
          HB    VAL   75 - HN    CYS   21  10.33 +/- 5.62  11.931% *  3.9726% (0.24   0.02   2.15) =   6.771%  kept
          QD2   LEU   71 - HN    ILE  119  14.31 +/- 3.87   8.561% *  4.1020% (0.25   0.02   0.02) =   5.017%  kept
          HG3   LYS+  74 - HN    ILE  119  17.67 +/- 3.12   2.290% * 11.9456% (0.73   0.02   0.02) =   3.908%  kept
          HB    VAL   75 - HN    ILE  119  15.65 +/- 1.53   2.026% * 12.5720% (0.76   0.02   0.02) =   3.639%  kept
          QD2   LEU   40 - HN    CYS   21  12.86 +/- 1.98   3.654% *  4.9173% (0.30   0.02   0.02) =   2.567%  kept
          QG2   ILE  103 - HN    CYS   21  15.25 +/- 2.79   3.940% *  4.3419% (0.26   0.02   0.02) =   2.444%  kept
          QD1   ILE  103 - HN    ILE  119  14.17 +/- 2.32   3.523% *  2.8810% (0.18   0.02   0.02) =   1.450%  kept
          QD2   LEU   71 - HN    CYS   21  10.46 +/- 3.51   7.456% *  1.2962% (0.08   0.02   0.02) =   1.381%  kept
          QD1   ILE  103 - HN    CYS   21  14.59 +/- 2.93   3.160% *  0.9104% (0.06   0.02   0.02) =   0.411%  kept
    Distance limit 3.61 A violated in 16 structures by 2.22 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.96, residual support = 50.6:
          QG2   THR  118 - HN    ILE  119   3.32 +/- 0.46  97.952% * 99.9093% (0.57   6.96  50.58) =  99.998%  kept
          QG2   THR  118 - HN    CYS   21  14.50 +/- 3.18   2.048% *  0.0907% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.789, support = 3.67, residual support = 42.9:
          QB    ALA  120 - HN    ILE  119   4.19 +/- 0.20  27.740% * 60.0085% (0.80   4.38  52.74) =  77.947%  kept
          HB3   LEU  115 - HN    ILE  119   6.02 +/- 0.99  12.545% * 17.2715% (0.95   1.07   8.05) =  10.145%  kept
          HG    LEU  115 - HN    ILE  119   6.20 +/- 1.16  11.225% * 15.0149% (0.80   1.10   8.05) =   7.892%  kept
          HG    LEU   73 - HN    CYS   21   7.22 +/- 4.81  18.920% *  4.2955% (0.15   1.63   7.55) =   3.806%  kept
          HG    LEU   40 - HN    CYS   21  14.87 +/- 2.29   0.807% *  1.4506% (0.30   0.28   0.02) =   0.055%
          HG    LEU   67 - HN    ILE  119  14.16 +/- 4.58   1.721% *  0.3393% (0.99   0.02   0.02) =   0.027%
          HG    LEU   40 - HN    ILE  119  13.28 +/- 3.65   1.612% *  0.3238% (0.95   0.02   0.02) =   0.024%
          HG    LEU   67 - HN    CYS   21  13.50 +/- 4.59   4.671% *  0.1072% (0.31   0.02   0.02) =   0.023%
          HB3   LEU  115 - HN    CYS   21  18.34 +/- 4.04   3.131% *  0.1023% (0.30   0.02   0.02) =   0.015%
          HG    LEU   73 - HN    ILE  119  16.89 +/- 4.69   1.507% *  0.1666% (0.49   0.02   0.02) =   0.012%
          HB3   LEU   40 - HN    ILE  119  14.71 +/- 3.41   1.255% *  0.1938% (0.57   0.02   0.02) =   0.011%
          QG    LYS+  66 - HN    ILE  119  12.26 +/- 3.01   1.821% *  0.1057% (0.31   0.02   0.02) =   0.009%
          HG    LEU  115 - HN    CYS   21  18.78 +/- 4.36   2.133% *  0.0866% (0.25   0.02   0.02) =   0.009%
          QB    ALA  120 - HN    CYS   21  18.66 +/- 4.38   1.361% *  0.0866% (0.25   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    CYS   21  13.22 +/- 4.47   5.323% *  0.0189% (0.06   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    ILE  119  19.93 +/- 4.39   0.411% *  0.2076% (0.61   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ILE  119  14.68 +/- 4.04   1.202% *  0.0600% (0.18   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    CYS   21  15.03 +/- 2.72   0.942% *  0.0612% (0.18   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    CYS   21  20.22 +/- 4.26   0.579% *  0.0656% (0.19   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    CYS   21  14.55 +/- 3.21   1.094% *  0.0334% (0.10   0.02   0.02) =   0.002%
    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 = 0.992, support = 1.47, residual support = 2.01:
          QG2   VAL   75 - HN    CYS   21   8.29 +/- 5.11  44.999% * 84.6878% (1.00   1.55   2.15) =  93.558%  kept
          QG2   VAL   42 - HN    CYS   21  11.00 +/- 2.44  17.066% * 14.6416% (0.95   0.28   0.02) =   6.135%  kept
          QG2   VAL   42 - HN    ILE  119   8.99 +/- 2.39  31.133% *  0.3264% (0.30   0.02   0.02) =   0.249%  kept
          QG2   VAL   75 - HN    ILE  119  14.10 +/- 1.26   6.802% *  0.3443% (0.32   0.02   0.02) =   0.057%
    Distance limit 4.52 A violated in 11 structures by 1.77 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.73, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.14 +/- 0.14  98.070% * 99.6430% (0.84  10.0   3.73  15.21) =  99.998%  kept
          HG2   LYS+ 121 - HN    ALA   20  21.95 +/- 4.94   0.713% *  0.1190% (1.00   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    ALA   20  18.17 +/- 2.21   0.229% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.57 +/- 2.09   0.539% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.88 +/- 3.39   0.288% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.11 +/- 2.76   0.161% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 25.6:
          QG2   ILE   19 - HN    ALA   20   3.00 +/- 0.73  98.768% * 99.7527% (0.99   3.65  25.60) =  99.997%  kept
          QD1   LEU   98 - HN    ALA   20  14.77 +/- 2.67   1.232% *  0.2473% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.963, support = 5.91, residual support = 170.5:
      O   HB    ILE   19 - HN    ILE   19   2.73 +/- 0.54  77.995% * 94.5882% (0.97  10.0   5.95 171.75) =  99.281%  kept
          HB2   GLN   17 - HN    ILE   19   6.20 +/- 0.52  10.723% *  4.9166% (0.73   1.0   1.38   0.02) =   0.709%  kept
          QB    GLU-  15 - HN    ILE   19   8.81 +/- 0.88   3.205% *  0.0712% (0.73   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    ILE   19  13.85 +/- 4.98   1.642% *  0.0905% (0.92   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    ILE   19  14.21 +/- 1.62   1.255% *  0.0879% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ILE   19  13.62 +/- 5.67   2.393% *  0.0334% (0.34   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ILE   19  19.84 +/- 3.84   0.619% *  0.0971% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    ILE   19  19.12 +/- 3.81   1.212% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  19.10 +/- 3.48   0.727% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  24.51 +/- 3.98   0.229% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.733, support = 5.78, residual support = 150.6:
          HG12  ILE   19 - HN    ILE   19   3.00 +/- 0.76  52.674% * 59.1564% (0.73   6.26 171.75) =  87.354%  kept
          HG    LEU   73 - HN    ILE   19   8.69 +/- 5.69  12.253% * 29.8887% (0.80   2.87   5.22) =  10.267%  kept
          HB3   LEU   67 - HN    ILE   19  10.68 +/- 5.62   9.105% *  6.0018% (1.00   0.46   0.02) =   1.532%  kept
          HB3   LYS+  74 - HN    ILE   19   9.38 +/- 6.61   7.903% *  3.5009% (0.18   1.54   7.99) =   0.776%  kept
          QG    LYS+  66 - HN    ILE   19  12.47 +/- 3.74   4.466% *  0.2462% (0.95   0.02   0.02) =   0.031%
          QB    ALA   61 - HN    ILE   19  11.09 +/- 2.52   2.190% *  0.2512% (0.97   0.02   0.02) =   0.015%
          HG    LEU   67 - HN    ILE   19  11.15 +/- 5.46   6.723% *  0.0579% (0.22   0.02   0.02) =   0.011%
          HG    LEU   80 - HN    ILE   19  19.14 +/- 8.77   0.746% *  0.2174% (0.84   0.02   0.02) =   0.005%
          HG    LEU   40 - HN    ILE   19  12.89 +/- 3.23   1.554% *  0.0803% (0.31   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    ILE   19  20.33 +/- 4.24   0.300% *  0.1788% (0.69   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    ILE   19  18.26 +/- 3.50   0.631% *  0.0803% (0.31   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE   19  19.09 +/- 8.30   0.620% *  0.0803% (0.31   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE   19  20.55 +/- 3.00   0.227% *  0.2084% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ILE   19  19.09 +/- 4.58   0.606% *  0.0515% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 169.1:
          HG13  ILE   19 - HN    ILE   19   2.81 +/- 0.71  69.209% * 83.3844% (0.97   5.95 171.75) =  98.410%  kept
          HG2   LYS+  74 - HN    ILE   19  10.87 +/- 6.57   5.917% *  8.9234% (0.99   0.62   7.99) =   0.900%  kept
          HG    LEU   71 - HN    ILE   19  10.68 +/- 6.39   5.692% *  6.5736% (0.98   0.46   0.45) =   0.638%  kept
          QG2   THR   39 - HN    ILE   19   9.95 +/- 4.98  11.852% *  0.1995% (0.69   0.02   0.02) =   0.040%
          HG3   LYS+  99 - HN    ILE   19  16.86 +/- 2.71   0.700% *  0.2898% (1.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    ILE   19   9.31 +/- 2.24   3.646% *  0.0393% (0.14   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    ILE   19  15.63 +/- 3.01   1.532% *  0.0724% (0.25   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    ILE   19  19.37 +/- 3.68   0.370% *  0.1995% (0.69   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   19  17.16 +/- 2.91   0.555% *  0.1194% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  25.23 +/- 4.18   0.296% *  0.0896% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  23.95 +/- 5.47   0.232% *  0.1090% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.349, support = 4.74, residual support = 22.2:
          QG1   VAL   18 - HN    ILE   19   2.82 +/- 0.44  80.902% * 73.3040% (0.34   4.87  22.86) =  96.914%  kept
          QD1   LEU   71 - HN    ILE   19   9.56 +/- 5.41   9.628% * 11.5777% (0.69   0.38   0.45) =   1.822%  kept
          QG1   VAL   70 - HN    ILE   19   9.49 +/- 3.70   5.627% * 13.3891% (0.45   0.68   0.02) =   1.231%  kept
          QD1   LEU  123 - HN    ILE   19  14.61 +/- 3.07   1.872% *  0.6058% (0.69   0.02   0.02) =   0.019%
          HB3   LEU  104 - HN    ILE   19  17.33 +/- 3.80   0.615% *  0.8511% (0.97   0.02   0.02) =   0.009%
          QD2   LEU  123 - HN    ILE   19  15.93 +/- 3.36   1.355% *  0.2722% (0.31   0.02   0.02) =   0.006%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.791, support = 4.94, residual support = 78.9:
          QG2   VAL   18 - HN    ILE   19   3.72 +/- 0.66  34.391% * 56.9951% (0.97   4.82  22.86) =  58.936%  kept
          QD1   ILE   19 - HN    ILE   19   3.63 +/- 0.54  33.836% * 37.3681% (0.57   5.39 171.75) =  38.017%  kept
          QD2   LEU   73 - HN    ILE   19   7.13 +/- 4.61  20.797% *  4.7703% (0.22   1.75   5.22) =   2.983%  kept
          QG1   VAL   41 - HN    ILE   19   9.93 +/- 4.00   4.019% *  0.2197% (0.90   0.02   0.02) =   0.027%
          QG1   VAL   43 - HN    ILE   19  11.14 +/- 4.49   2.867% *  0.2428% (0.99   0.02   0.02) =   0.021%
          QG2   THR   46 - HN    ILE   19  13.45 +/- 4.78   1.298% *  0.2197% (0.90   0.02   0.02) =   0.009%
          HG    LEU   31 - HN    ILE   19  10.95 +/- 1.90   1.583% *  0.0836% (0.34   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    ILE   19  14.52 +/- 3.06   1.208% *  0.1007% (0.41   0.02   0.02) =   0.004%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.717, support = 4.49, residual support = 23.3:
          HG12  ILE   19 - HN    ALA   20   5.10 +/- 0.51  34.606% * 80.7980% (0.73   4.90  25.60) =  90.354%  kept
          HG    LEU   73 - HN    ALA   20   9.36 +/- 5.18  16.872% * 12.7852% (0.80   0.70   0.02) =   6.971%  kept
          HB3   LYS+  74 - HN    ALA   20   8.93 +/- 6.42  21.762% *  3.4256% (0.18   0.86   5.48) =   2.409%  kept
          HB3   LEU   67 - HN    ALA   20  12.98 +/- 5.23   7.921% *  0.4546% (1.00   0.02   0.02) =   0.116%  kept
          QB    ALA   61 - HN    ALA   20  12.35 +/- 1.94   3.003% *  0.4387% (0.97   0.02   0.02) =   0.043%
          QG    LYS+  66 - HN    ALA   20  14.35 +/- 3.70   2.140% *  0.4300% (0.95   0.02   0.02) =   0.030%
          HG    LEU   80 - HN    ALA   20  17.89 +/- 8.83   2.232% *  0.3797% (0.84   0.02   0.02) =   0.027%
          HG    LEU   67 - HN    ALA   20  13.29 +/- 5.46   4.462% *  0.1012% (0.22   0.02   0.02) =   0.015%
          HB2   LEU   80 - HN    ALA   20  17.96 +/- 8.50   2.004% *  0.1403% (0.31   0.02   0.02) =   0.009%
          HG    LEU   40 - HN    ALA   20  15.38 +/- 2.58   1.345% *  0.1403% (0.31   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    ALA   20  21.84 +/- 3.79   0.578% *  0.3122% (0.69   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    ALA   20  21.86 +/- 2.84   0.479% *  0.3640% (0.80   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ALA   20  22.08 +/- 4.87   1.709% *  0.0900% (0.20   0.02   0.02) =   0.005%
          HB3   LEU  115 - HN    ALA   20  20.45 +/- 3.43   0.886% *  0.1403% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.646, support = 2.06, residual support = 4.91:
          HG    LEU   73 - HN    CYS   21   7.22 +/- 4.81  16.952% * 33.8611% (0.80   1.63   7.55) =  41.158%  kept
          HG12  ILE   19 - HN    CYS   21   6.47 +/- 1.01  12.932% * 41.9464% (0.73   2.23   0.84) =  38.895%  kept
          HB3   LYS+  74 - HN    CYS   21   7.56 +/- 6.01  17.125% * 13.5800% (0.18   2.99   7.62) =  16.676%  kept
          HB3   LEU  115 - HN    ILE  119   6.02 +/- 0.99  10.729% *  2.6963% (0.10   1.07   8.05) =   2.074%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.14 +/- 1.07   6.005% *  1.1234% (0.06   0.69   7.60) =   0.484%  kept
          HB3   LEU   67 - HN    CYS   21  13.22 +/- 4.47   4.734% *  0.5184% (1.00   0.02   0.02) =   0.176%  kept
          HG    LEU   40 - HN    CYS   21  14.87 +/- 2.29   0.736% *  2.2680% (0.31   0.28   0.02) =   0.120%  kept
          HG    LEU   80 - HN    CYS   21  15.17 +/- 9.14   2.773% *  0.4330% (0.84   0.02   0.02) =   0.086%
          QB    ALA   61 - HN    CYS   21  11.48 +/- 1.66   1.430% *  0.5003% (0.97   0.02   0.02) =   0.051%
          QG    LYS+  66 - HN    CYS   21  14.55 +/- 3.21   0.995% *  0.4904% (0.95   0.02   0.02) =   0.035%
          HG    LEU   67 - HN    CYS   21  13.50 +/- 4.59   4.181% *  0.1154% (0.22   0.02   0.02) =   0.035%
          HB3   LEU  115 - HN    CYS   21  18.34 +/- 4.04   2.951% *  0.1600% (0.31   0.02   0.02) =   0.034%
          QB    ALA   61 - HN    ILE  119  10.26 +/- 1.60   2.514% *  0.1581% (0.30   0.02   0.02) =   0.028%
          HB2   LEU   80 - HN    CYS   21  15.16 +/- 8.80   1.873% *  0.1600% (0.31   0.02   0.02) =   0.021%
          HG    LEU   73 - HN    ILE  119  16.89 +/- 4.69   1.830% *  0.1312% (0.25   0.02   0.02) =   0.017%
          QG    LYS+  66 - HN    ILE  119  12.26 +/- 3.01   1.503% *  0.1549% (0.30   0.02   0.02) =   0.017%
          QB    ALA  110 - HN    CYS   21  19.75 +/- 3.24   0.537% *  0.4151% (0.80   0.02   0.02) =   0.016%
          HD3   LYS+ 121 - HN    CYS   21  20.82 +/- 5.02   2.050% *  0.1026% (0.20   0.02   0.02) =   0.015%
          HG2   LYS+ 102 - HN    CYS   21  20.22 +/- 4.26   0.508% *  0.3561% (0.69   0.02   0.02) =   0.013%
          QB    ALA  110 - HN    ILE  119  11.28 +/- 1.17   1.343% *  0.1312% (0.25   0.02   0.02) =   0.013%
          HB3   LEU   67 - HN    ILE  119  14.68 +/- 4.04   0.991% *  0.1638% (0.32   0.02   0.02) =   0.012%
          HG12  ILE   19 - HN    ILE  119  18.61 +/- 4.02   1.012% *  0.1189% (0.23   0.02   0.02) =   0.009%
          HG    LEU   40 - HN    ILE  119  13.28 +/- 3.65   1.483% *  0.0506% (0.10   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    ILE  119  14.16 +/- 4.58   1.426% *  0.0365% (0.07   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    ILE  119  19.93 +/- 4.39   0.344% *  0.1125% (0.22   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ILE  119  24.17 +/- 4.28   0.171% *  0.1368% (0.26   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    ILE  119  17.96 +/- 3.20   0.696% *  0.0287% (0.06   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  119  23.33 +/- 3.88   0.178% *  0.0506% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.16, residual support = 85.3:
      O   QG    GLN   17 - HE21  GLN   17   2.34 +/- 0.35  94.972% * 99.5957% (0.48  10.0   3.16  85.30) =  99.996%  kept
          HB    VAL   70 - HE21  GLN   17  14.54 +/- 5.07   1.376% *  0.0879% (0.43   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HE21  GLN   17  16.64 +/- 5.23   0.889% *  0.1161% (0.57   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HE21  GLN   17  16.39 +/- 5.81   2.232% *  0.0403% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HE21  GLN   17  20.27 +/- 3.77   0.219% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  21.17 +/- 4.11   0.233% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  30.19 +/- 5.42   0.080% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.53, residual support = 50.5:
        T HN    VAL   18 - HN    GLN   17   4.45 +/- 0.06  89.795% * 99.9055% (0.73 10.00   5.53  50.49) =  99.989%  kept
          HN    SER   13 - HN    GLN   17   9.74 +/- 1.05  10.205% *  0.0945% (0.69  1.00   0.02   0.02) =   0.011%
    Distance limit 4.35 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.53, residual support = 50.5:
        T HN    GLN   17 - HN    VAL   18   4.45 +/- 0.06  91.688% * 99.7850% (0.89 10.00   5.53  50.49) =  99.990%  kept
          HD21  ASN   69 - HN    VAL   18  14.15 +/- 6.14   7.738% *  0.1079% (0.96  1.00   0.02   0.02) =   0.009%
          HN    TRP   87 - HN    VAL   18  26.85 +/- 6.62   0.575% *  0.1071% (0.96  1.00   0.02   0.02) =   0.001%
    Distance limit 4.52 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 = 0.413, support = 3.34, residual support = 7.95:
        T HN    LYS+  74 - HN    ILE   19   8.65 +/- 7.12  56.668% * 96.3097% (0.41 10.00   3.35   7.99) =  99.493%  kept
          HN    THR   46 - HN    ILE   19  16.44 +/- 5.38   7.580% *  3.3818% (0.84  1.00   0.35   0.02) =   0.467%  kept
          HN    MET   92 - HN    ILE   19  21.66 +/- 4.58   4.050% *  0.2261% (0.97  1.00   0.02   0.02) =   0.017%
          HN    MET   11 - HN    ILE   19  17.69 +/- 2.78  20.623% *  0.0361% (0.15  1.00   0.02   0.02) =   0.014%
          HN    ASP- 113 - HN    ILE   19  23.39 +/- 4.35  11.078% *  0.0464% (0.20  1.00   0.02   0.02) =   0.009%
    Distance limit 4.67 A violated in 6 structures by 3.86 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.855, support = 2.84, residual support = 2.82:
          HN    THR   26 - HN    VAL   24   4.38 +/- 0.26  72.962% * 94.0229% (0.87   2.88   2.77) =  98.075%  kept
          HN    LEU   80 - HN    VAL   24  12.55 +/- 8.75  23.988% *  5.5923% (0.20   0.75   5.26) =   1.918%  kept
          HN    CYS   53 - HN    VAL   24  21.77 +/- 2.80   0.858% *  0.2828% (0.38   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   24  14.29 +/- 0.76   2.192% *  0.1020% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.971, support = 4.31, residual support = 25.5:
          HN    THR   23 - HN    VAL   24   3.97 +/- 0.58  67.879% * 88.8416% (0.98   4.37  25.75) =  98.182%  kept
          HD2   HIS   22 - HN    VAL   24   8.30 +/- 0.95   9.528% *  6.2876% (0.22   1.36   0.02) =   0.975%  kept
          HE3   TRP   27 - HN    VAL   24   7.83 +/- 0.79  13.143% *  3.6876% (0.76   0.23  23.72) =   0.789%  kept
          QE    PHE   95 - HN    VAL   24  17.87 +/- 3.07   5.481% *  0.4108% (0.99   0.02   0.02) =   0.037%
          HN    LEU   67 - HN    VAL   24  18.66 +/- 4.01   2.452% *  0.2847% (0.69   0.02   0.02) =   0.011%
          QD    PHE   55 - HN    VAL   24  22.31 +/- 3.76   0.683% *  0.3462% (0.84   0.02   0.02) =   0.004%
          HD1   TRP   49 - HN    VAL   24  20.37 +/- 4.44   0.835% *  0.1414% (0.34   0.02   0.02) =   0.002%
    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 = 5.62:
          HE1   TRP   87 - HE1   TRP   27  13.87 +/- 9.68 100.000% *100.0000% (0.53   0.75   5.62) = 100.000%  kept
    Distance limit 4.13 A violated in 14 structures by 9.76 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.48, residual support = 20.1:
        T HN    ALA   34 - HN    ASN   35   2.75 +/- 0.07  85.070% * 97.3290% (0.98 10.00   4.49  20.15) =  99.707%  kept
          HN    GLN   32 - HN    ASN   35   5.06 +/- 0.38  14.499% *  1.6626% (0.53  1.00   0.64   3.69) =   0.290%  kept
        T HN    LEU   80 - HN    ASN   35  22.56 +/- 4.29   0.205% *  0.9166% (0.92 10.00   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    ASN   35  28.28 +/- 2.34   0.084% *  0.0721% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  26.35 +/- 5.58   0.142% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.34, residual support = 18.6:
        T HN    SER   37 - HN    GLU-  36   2.53 +/- 0.13  99.328% * 99.7690% (0.98 10.00   4.34  18.63) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.12 +/- 1.80   0.411% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  23.28 +/- 3.15   0.176% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  28.73 +/- 4.48   0.085% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.43, residual support = 30.4:
        T HN    LYS+  38 - HN    THR   39   2.73 +/- 0.11  97.293% * 99.8693% (1.00 10.00   5.43  30.37) =  99.999%  kept
          HN    LEU   31 - HN    THR   39   9.85 +/- 0.81   2.228% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  19.11 +/- 2.60   0.360% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  27.34 +/- 3.02   0.119% *  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 = 16.0:
          HN    MET   96 - HN    VAL   43   3.11 +/- 0.65  91.763% * 98.1821% (0.76   4.00  16.03) =  99.834%  kept
          HN    PHE   72 - HN    VAL   43   8.21 +/- 1.23   8.237% *  1.8179% (0.22   0.25   0.02) =   0.166%  kept
    Distance limit 3.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 3.01, residual support = 3.69:
          HN    LEU   73 - HN    ASP-  44   5.79 +/- 0.92  49.148% * 67.4592% (0.38   3.59   5.09) =  69.410%  kept
          HN    VAL   42 - HN    ASP-  44   5.96 +/- 0.52  46.175% * 31.5427% (0.38   1.68   0.54) =  30.492%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.72 +/- 1.08   4.677% *  0.9981% (1.00   0.02   0.02) =   0.098%
    Distance limit 4.33 A violated in 0 structures by 0.71 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.82, residual support = 35.0:
          HN    VAL   42 - HN    VAL   43   4.14 +/- 0.25  68.692% * 68.7484% (0.38   6.26  39.13) =  87.381%  kept
          HN    LEU   73 - HN    VAL   43   6.65 +/- 1.29  22.061% * 30.6679% (0.38   2.79   6.16) =  12.519%  kept
          HN    LYS+ 106 - HN    VAL   43   9.36 +/- 1.27   9.248% *  0.5837% (1.00   0.02   0.02) =   0.100%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.813, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44   9.21 +/- 1.81  45.895% * 15.3753% (0.65   0.02   0.02) =  37.887%  kept
          HN    ALA   84 - HN    ASP-  44  13.08 +/- 2.01  18.775% * 23.7147% (1.00   0.02   0.02) =  23.906%  kept
          HN    ILE   56 - HN    ASP-  44  13.19 +/- 1.59  18.979% * 18.1638% (0.76   0.02   0.02) =  18.509%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.19 +/- 1.94  11.890% * 23.7147% (1.00   0.02   0.02) =  15.139%  kept
          HE21  GLN   32 - HN    ASP-  44  19.80 +/- 2.02   4.461% * 19.0315% (0.80   0.02   0.02) =   4.558%  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 = 0.557, support = 0.577, residual support = 1.46:
          QD    PHE   60 - HN    ASP-  44   7.07 +/- 2.86  43.685% * 47.0663% (0.41   0.75   2.14) =  68.152%  kept
          QE    PHE   59 - HN    ASP-  44   8.42 +/- 1.48  25.107% * 30.8215% (0.92   0.22   0.02) =  25.650%  kept
          HN    PHE   59 - HN    ASP-  44  11.86 +/- 1.24   6.963% * 18.9031% (0.57   0.22   0.02) =   4.363%  kept
          HN    LYS+  66 - HN    ASP-  44  10.55 +/- 2.02  19.390% *  2.7380% (0.90   0.02   0.02) =   1.760%  kept
          HN    LYS+  81 - HN    ASP-  44  13.93 +/- 1.64   4.855% *  0.4711% (0.15   0.02   0.02) =   0.076%
    Distance limit 4.61 A violated in 7 structures by 1.19 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.719, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  14.01 +/- 2.47  47.894% * 36.0114% (0.77   0.02   0.02) =  52.013%  kept
          HN    GLN   17 - HN    ASP-  62  15.96 +/- 3.89  39.434% * 29.1578% (0.63   0.02   0.02) =  34.676%  kept
          HN    TRP   87 - HN    ASP-  62  21.92 +/- 1.80  12.672% * 34.8308% (0.75   0.02   0.02) =  13.311%  kept
    Distance limit 3.49 A violated in 20 structures by 8.82 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.325, support = 5.78, residual support = 41.8:
        T HN    LEU   63 - HN    ASP-  62   2.66 +/- 0.13  95.756% * 70.2191% (0.32 10.00   5.85  42.35) =  98.618%  kept
        T HN    ILE   56 - HN    ASP-  62   8.94 +/- 1.20   3.214% * 29.2729% (0.42 10.00   0.64   0.02) =   1.380%  kept
          HN    LYS+ 111 - HN    ASP-  62  15.11 +/- 1.96   0.628% *  0.1623% (0.75  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ASP-  62  20.61 +/- 1.59   0.231% *  0.1623% (0.75  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ASP-  62  25.25 +/- 3.42   0.172% *  0.1834% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.935, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   9.71 +/- 1.19  85.682% * 48.0011% (0.92   0.02   0.02) =  84.672%  kept
          HN    ALA  110 - HN    LEU   73  18.81 +/- 3.63  14.318% * 51.9989% (1.00   0.02   0.02) =  15.328%  kept
    Distance limit 4.08 A violated in 20 structures by 5.59 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.47, support = 3.61, residual support = 16.8:
          HN    VAL   75 - HN    ASP-  76   4.33 +/- 0.13  61.942% * 44.0436% (0.28   4.64  26.36) =  57.226%  kept
          HN    ASP-  78 - HN    ASP-  76   5.22 +/- 0.38  36.763% * 55.4599% (0.73   2.23   4.11) =  42.767%  kept
          HN    LYS+ 112 - HN    ASP-  76  19.41 +/- 2.43   0.962% *  0.3064% (0.45   0.02   0.02) =   0.006%
          HN    MET   11 - HN    ASP-  76  26.96 +/- 4.75   0.333% *  0.1900% (0.28   0.02   0.02) =   0.001%
    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 = 28.8:
        T HN    LYS+ 111 - HN    LYS+ 112   4.40 +/- 0.13  83.023% * 97.6939% (0.87 10.00   5.34  28.90) =  99.668%  kept
          HN    ILE   56 - HN    LYS+ 112   9.05 +/- 2.15  13.022% *  2.0558% (0.49  1.00   0.75   4.91) =   0.329%  kept
          HN    LEU   63 - HN    LYS+ 112  14.08 +/- 1.14   2.773% *  0.0423% (0.38  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    LYS+ 112  20.98 +/- 2.56   0.905% *  0.0977% (0.87  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    LYS+ 112  31.56 +/- 3.84   0.277% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.517, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HN    GLN  116   9.65 +/- 2.04  36.615% * 26.8436% (0.65   0.02   0.02) =  55.844%  kept
          QD    PHE   55 - HN    GLN  116   8.66 +/- 1.63  44.114% * 11.5373% (0.28   0.02   0.02) =  28.917%  kept
          HE3   TRP   27 - HN    GLN  116  19.79 +/- 3.70   6.697% * 14.1544% (0.34   0.02   0.02) =   5.385%  kept
          HN    LYS+  81 - HN    GLN  116  24.83 +/- 2.44   2.261% * 39.2529% (0.95   0.02   0.02) =   5.042%  kept
          HN    LYS+  66 - HN    GLN  116  14.82 +/- 1.47  10.314% *  8.2119% (0.20   0.02   0.02) =   4.812%  kept
    Distance limit 4.40 A violated in 19 structures by 3.19 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.788, support = 6.04, residual support = 47.5:
      O   HA    ILE  119 - HN    ALA  120   3.59 +/- 0.04  58.068% * 85.2612% (0.80  10.0   6.25  52.74) =  90.065%  kept
          HA    THR  118 - HN    ALA  120   4.21 +/- 0.39  37.653% * 14.5002% (0.67   1.0   4.06   0.46) =   9.932%  kept
          HD3   PRO   58 - HN    ALA  120  11.22 +/- 1.67   2.490% *  0.0195% (0.18   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA  120  15.16 +/- 1.91   0.950% *  0.0404% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  120  24.42 +/- 2.81   0.250% *  0.0787% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  20.08 +/- 1.66   0.363% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  24.39 +/- 2.70   0.226% *  0.0596% (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 = 0.992, residual support = 5.22:
          HA    SER  117 - HN    ALA  120   3.64 +/- 0.29  93.811% * 96.3498% (0.92   0.99   5.22) =  99.938%  kept
          HA    ASP-  62 - HN    ALA  120  12.79 +/- 1.27   2.511% *  1.0234% (0.49   0.02   0.02) =   0.028%
          HA    ALA   57 - HN    ALA  120  13.28 +/- 1.37   2.334% *  0.7997% (0.38   0.02   0.02) =   0.021%
          HB    THR   26 - HN    ALA  120  25.21 +/- 5.01   0.653% *  1.4865% (0.71   0.02   0.02) =   0.011%
          HA1   GLY   51 - HN    ALA  120  21.48 +/- 2.93   0.692% *  0.3407% (0.16   0.02   0.02) =   0.003%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.15, residual support = 119.7:
      O   HG3   GLN  116 - HE21  GLN  116   3.09 +/- 0.62  98.433% * 99.8198% (0.69  10.0   4.15 119.68) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  23.13 +/- 3.62   0.645% *  0.0881% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   MET   96 - HE21  GLN  116  17.56 +/- 1.81   0.763% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  29.98 +/- 3.20   0.159% *  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 = 0.655, support = 3.5, residual support = 86.3:
          HB3   LEU  115 - HE21  GLN  116   8.13 +/- 1.45  14.053% * 60.7720% (0.95   3.62  99.74) =  45.721%  kept
          HG    LEU  115 - HE21  GLN  116   7.32 +/- 1.79  24.562% * 30.9961% (0.41   4.24  99.74) =  40.759%  kept
          QB    ALA  120 - HE21  GLN  116   5.59 +/- 1.98  40.146% *  6.1932% (0.41   0.85   0.18) =  13.311%  kept
          HG    LEU   73 - HE21  GLN  116  20.28 +/- 6.10   2.577% *  0.3082% (0.87   0.02   0.02) =   0.043%
          QB    ALA   61 - HE21  GLN  116  11.64 +/- 2.95   6.159% *  0.1212% (0.34   0.02   0.02) =   0.040%
          QG    LYS+  66 - HE21  GLN  116  13.21 +/- 2.11   2.628% *  0.2441% (0.69   0.02   0.02) =   0.034%
          HG    LEU   67 - HE21  GLN  116  16.50 +/- 3.24   1.720% *  0.3082% (0.87   0.02   0.02) =   0.028%
          HG    LEU   40 - HE21  GLN  116  16.87 +/- 3.00   1.380% *  0.3361% (0.95   0.02   0.02) =   0.025%
          HB3   LEU   67 - HE21  GLN  116  17.10 +/- 2.62   1.624% *  0.1730% (0.49   0.02   0.02) =   0.015%
          QB    ALA  110 - HE21  GLN  116  11.61 +/- 1.33   3.302% *  0.0622% (0.18   0.02   0.02) =   0.011%
          HG2   LYS+ 102 - HE21  GLN  116  24.31 +/- 3.07   0.398% *  0.3361% (0.95   0.02   0.02) =   0.007%
          HB3   LEU   40 - HE21  GLN  116  18.26 +/- 2.90   1.129% *  0.0791% (0.22   0.02   0.02) =   0.005%
          HG    LEU   80 - HE21  GLN  116  26.88 +/- 4.44   0.323% *  0.0703% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.501, support = 1.45, residual support = 0.829:
          QB    GLU- 114 - HN    SER  117   4.81 +/- 0.35  40.198% * 64.9247% (0.61   1.39   0.95) =  73.350%  kept
          HB    ILE  119 - HN    SER  117   4.99 +/- 0.52  36.900% * 24.9043% (0.20   1.64   0.51) =  25.828%  kept
          HB2   LYS+ 111 - HN    SER  117   7.87 +/- 1.41  12.153% *  1.5326% (1.00   0.02   0.02) =   0.523%  kept
          HB3   GLU-  25 - HN    SER  117  28.67 +/- 6.04   2.127% *  1.4179% (0.92   0.02   0.02) =   0.085%
          QB    GLU-  15 - HN    SER  117  23.36 +/- 5.05   1.298% *  1.5326% (1.00   0.02   0.02) =   0.056%
          HB2   GLN   17 - HN    SER  117  23.65 +/- 4.55   0.748% *  1.5326% (1.00   0.02   0.02) =   0.032%
          HB3   PRO   68 - HN    SER  117  19.92 +/- 3.21   0.829% *  1.2830% (0.84   0.02   0.02) =   0.030%
          HB    ILE   19 - HN    SER  117  21.36 +/- 4.18   1.232% *  0.8081% (0.53   0.02   0.02) =   0.028%
          HG2   PRO   68 - HN    SER  117  18.58 +/- 3.94   1.340% *  0.6886% (0.45   0.02   0.02) =   0.026%
          HG3   GLN   30 - HN    SER  117  23.39 +/- 4.53   1.278% *  0.6886% (0.45   0.02   0.02) =   0.025%
          HB2   GLN   30 - HN    SER  117  22.27 +/- 4.39   1.466% *  0.3040% (0.20   0.02   0.02) =   0.013%
          HB3   GLU- 100 - HN    SER  117  22.69 +/- 2.76   0.429% *  0.3830% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.869, support = 2.48, residual support = 2.85:
          HG    LEU  115 - HN    SER  117   5.60 +/- 0.76  28.535% * 41.3943% (0.84   2.96   2.27) =  41.386%  kept
          HB3   LEU  115 - HN    SER  117   5.55 +/- 0.40  27.660% * 40.2476% (0.92   2.60   2.27) =  39.006%  kept
          QB    ALA  120 - HN    SER  117   5.26 +/- 0.70  32.741% * 17.0317% (0.84   1.22   5.22) =  19.538%  kept
          HG    LEU   67 - HN    SER  117  16.93 +/- 4.11   1.484% *  0.3286% (0.98   0.02   0.02) =   0.017%
          HG    LEU   73 - HN    SER  117  18.83 +/- 5.76   3.044% *  0.1503% (0.45   0.02   0.02) =   0.016%
          HG    LEU   40 - HN    SER  117  15.80 +/- 2.58   1.442% *  0.3095% (0.92   0.02   0.02) =   0.016%
          HB3   LEU   40 - HN    SER  117  17.32 +/- 2.64   1.138% *  0.2033% (0.61   0.02   0.02) =   0.008%
          QG    LYS+  66 - HN    SER  117  14.63 +/- 2.60   2.131% *  0.0932% (0.28   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HN    SER  117  21.38 +/- 3.08   0.590% *  0.1898% (0.57   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    SER  117  17.42 +/- 3.59   1.234% *  0.0517% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 2.9, residual support = 14.2:
          HB2   PHE   97 - HN    LEU  104   4.20 +/- 1.29  56.641% * 78.6522% (1.00   3.10  15.27) =  91.235%  kept
          QE    LYS+ 106 - HN    LEU  104   6.41 +/- 1.00  22.650% * 16.2364% (0.76   0.84   0.39) =   7.531%  kept
          QE    LYS+  99 - HN    LEU  104   7.29 +/- 1.05  13.768% *  4.2307% (0.38   0.44  17.77) =   1.193%  kept
          HB3   TRP   27 - HN    LEU  104  15.14 +/- 3.43   2.713% *  0.5038% (0.99   0.02   0.02) =   0.028%
          HB3   PHE   60 - HN    LEU  104  16.48 +/- 2.29   1.241% *  0.2878% (0.57   0.02   0.02) =   0.007%
          QE    LYS+  38 - HN    LEU  104  13.14 +/- 2.24   2.987% *  0.0890% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.73 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 = 0.926, support = 5.31, residual support = 34.5:
          HG12  ILE  103 - HN    LEU  104   4.36 +/- 0.43  50.232% * 83.2896% (0.97   5.61  37.64) =  91.670%  kept
          QB    LYS+ 102 - HN    LEU  104   5.72 +/- 0.56  24.596% * 15.1989% (0.49   2.03   0.35) =   8.191%  kept
          HB    VAL   41 - HN    LEU  104   7.26 +/- 1.32  15.848% *  0.3074% (1.00   0.02   0.02) =   0.107%  kept
          HB2   LEU   71 - HN    LEU  104  13.66 +/- 3.25   4.791% *  0.1049% (0.34   0.02   0.02) =   0.011%
          QB    LYS+  66 - HN    LEU  104  17.02 +/- 2.77   1.116% *  0.2908% (0.95   0.02   0.02) =   0.007%
          HG    LEU  123 - HN    LEU  104  17.42 +/- 4.54   1.164% *  0.2349% (0.76   0.02   0.02) =   0.006%
          HG2   PRO   93 - HN    LEU  104  18.05 +/- 1.21   0.781% *  0.2232% (0.73   0.02   0.02) =   0.004%
          QB    LYS+  65 - HN    LEU  104  17.02 +/- 2.59   1.089% *  0.1154% (0.38   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    LEU  104  22.71 +/- 1.51   0.383% *  0.2349% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 2.21, residual support = 29.8:
          QB    LEU   98 - HN    ILE  103   3.47 +/- 0.56  87.573% * 90.8586% (0.61   2.21  29.89) =  99.844%  kept
          HD3   LYS+ 121 - HN    ILE  103  15.40 +/- 6.63   2.667% *  1.2155% (0.90   0.02   0.02) =   0.041%
          HG    LEU   80 - HN    ILE  103  18.35 +/- 5.30   1.908% *  1.0358% (0.76   0.02   0.02) =   0.025%
          HB2   LEU   80 - HN    ILE  103  18.42 +/- 5.01   1.420% *  1.3285% (0.98   0.02   0.02) =   0.024%
          QB    ALA   61 - HN    ILE  103  16.81 +/- 3.39   1.798% *  0.7673% (0.57   0.02   0.02) =   0.017%
          HG12  ILE   19 - HN    ILE  103  17.85 +/- 3.86   1.042% *  1.1757% (0.87   0.02   0.02) =   0.015%
          HB3   LYS+  74 - HN    ILE  103  17.80 +/- 1.95   0.837% *  1.1757% (0.87   0.02   0.02) =   0.012%
          QB    ALA  110 - HN    ILE  103  17.45 +/- 1.38   0.783% *  1.0853% (0.80   0.02   0.02) =   0.011%
          HB3   LEU   67 - HN    ILE  103  18.14 +/- 3.25   0.894% *  0.5572% (0.41   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    ILE  103  23.22 +/- 3.45   0.486% *  0.4623% (0.34   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    ILE  103  20.05 +/- 2.74   0.592% *  0.3380% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.774, support = 5.27, residual support = 35.1:
          QD2   LEU  104 - HN    ILE  103   4.84 +/- 1.00  28.807% * 79.2997% (1.00   5.61  37.64) =  67.342%  kept
          QD1   LEU   98 - HN    ILE  103   3.13 +/- 1.13  55.542% * 19.9208% (0.31   4.57  29.89) =  32.617%  kept
          QG1   VAL   43 - HN    ILE  103   7.77 +/- 1.75   6.693% *  0.0964% (0.34   0.02   0.02) =   0.019%
          QG1   VAL   41 - HN    ILE  103   7.00 +/- 1.87   7.259% *  0.0560% (0.20   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    ILE  103  15.60 +/- 2.70   0.627% *  0.2728% (0.97   0.02   0.02) =   0.005%
          QG2   THR   46 - HN    ILE  103  16.49 +/- 1.50   0.553% *  0.1942% (0.69   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    ILE  103  17.82 +/- 3.23   0.519% *  0.1601% (0.57   0.02   0.02) =   0.002%
    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 = 6.85, residual support = 215.0:
          QD1   LEU  104 - HN    LEU  104   3.96 +/- 0.62  63.886% * 97.1163% (0.41   6.86 215.45) =  99.782%  kept
          QD1   LEU   73 - HN    LEU  104  11.03 +/- 2.20   5.944% *  0.6645% (0.97   0.02   0.02) =   0.064%
          QD1   LEU   63 - HN    LEU  104  11.99 +/- 2.70   4.202% *  0.6645% (0.97   0.02   0.02) =   0.045%
          QG2   VAL   41 - HN    LEU  104   6.96 +/- 1.13  16.362% *  0.1363% (0.20   0.02   0.02) =   0.036%
          QD2   LEU   63 - HN    LEU  104  11.97 +/- 2.68   4.439% *  0.5000% (0.73   0.02   0.02) =   0.036%
          QD2   LEU  115 - HN    LEU  104  12.43 +/- 1.66   3.223% *  0.4730% (0.69   0.02   0.02) =   0.025%
          QD2   LEU   80 - HN    LEU  104  15.89 +/- 3.94   1.944% *  0.4454% (0.65   0.02   0.02) =   0.014%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (0.71, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.668, support = 4.76, residual support = 16.9:
          QD1   LEU   98 - HN    ASP- 105   5.46 +/- 0.89  35.495% * 75.5656% (0.95   3.77   6.39) =  63.897%  kept
          QD2   LEU  104 - HN    ASP- 105   4.25 +/- 0.41  62.619% * 24.1942% (0.18   6.51  35.55) =  36.092%  kept
          QG2   ILE   19 - HN    ASP- 105  15.13 +/- 2.19   1.886% *  0.2402% (0.57   0.02   0.02) =   0.011%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.895, support = 4.0, residual support = 134.8:
          HG3   LYS+ 106 - HN    LYS+ 106   3.42 +/- 0.79  64.238% * 95.5226% (0.90   4.01 135.02) =  99.847%  kept
          HB    VAL   42 - HN    LYS+ 106  10.86 +/- 1.84   4.807% *  0.5301% (1.00   0.02   0.02) =   0.041%
          QB    LEU   98 - HN    LYS+ 106   8.21 +/- 0.65   6.225% *  0.2184% (0.41   0.02   0.02) =   0.022%
          HG3   LYS+ 102 - HN    LYS+ 106  11.81 +/- 1.85   2.390% *  0.5266% (0.99   0.02   0.02) =   0.020%
          HB2   LYS+ 112 - HN    LYS+ 106  14.54 +/- 1.96   1.939% *  0.5127% (0.97   0.02   0.02) =   0.016%
          HD3   LYS+ 121 - HN    LYS+ 106  10.61 +/- 6.45   9.815% *  0.0930% (0.18   0.02   0.02) =   0.015%
          HG    LEU   98 - HN    LYS+ 106   9.69 +/- 1.11   4.450% *  0.1183% (0.22   0.02   0.02) =   0.009%
          HG3   LYS+  65 - HN    LYS+ 106  19.96 +/- 3.56   0.906% *  0.5301% (1.00   0.02   0.02) =   0.008%
          HB3   LEU   73 - HN    LYS+ 106  16.29 +/- 3.05   0.873% *  0.5301% (1.00   0.02   0.02) =   0.008%
          HB3   PRO   93 - HN    LYS+ 106  13.44 +/- 1.12   1.453% *  0.1812% (0.34   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HN    LYS+ 106  19.81 +/- 2.35   0.500% *  0.5208% (0.98   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    LYS+ 106  16.75 +/- 2.04   0.783% *  0.1640% (0.31   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LYS+ 106  26.02 +/- 3.98   0.220% *  0.3649% (0.69   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+ 106  16.68 +/- 3.73   0.886% *  0.0820% (0.15   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 106  18.62 +/- 1.57   0.515% *  0.1051% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 2.85, residual support = 26.3:
          QG1   VAL  107 - HN    LYS+ 106   4.59 +/- 0.68  75.967% * 97.0501% (0.53   2.85  26.35) =  99.840%  kept
          HG    LEU   63 - HN    LYS+ 106  15.09 +/- 3.75   4.946% *  0.9398% (0.73   0.02   0.02) =   0.063%
          QG2   VAL   24 - HN    LYS+ 106  17.27 +/- 3.36   2.225% *  1.1227% (0.87   0.02   0.02) =   0.034%
          HG3   LYS+ 112 - HN    LYS+ 106  14.12 +/- 2.06   5.397% *  0.3995% (0.31   0.02   0.02) =   0.029%
          HD3   LYS+ 112 - HN    LYS+ 106  15.38 +/- 2.99   8.996% *  0.1997% (0.15   0.02   0.02) =   0.024%
          QG1   VAL   24 - HN    LYS+ 106  17.99 +/- 3.86   2.470% *  0.2882% (0.22   0.02   0.02) =   0.010%
    Distance limit 4.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.51, residual support = 64.9:
          QG1   VAL  108 - HN    VAL  108   3.60 +/- 0.15  89.566% * 99.4327% (0.98   4.51  64.94) =  99.981%  kept
          QD1   LEU   40 - HN    VAL  108  13.03 +/- 1.77   3.347% *  0.2188% (0.49   0.02   0.02) =   0.008%
          QD2   LEU   67 - HN    VAL  108  16.15 +/- 4.08   5.470% *  0.1121% (0.25   0.02   0.02) =   0.007%
          HB3   LEU   63 - HN    VAL  108  15.96 +/- 3.34   1.616% *  0.2364% (0.53   0.02   0.02) =   0.004%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 2.98, residual support = 7.75:
          QG2   ILE   89 - HN    ALA   91   3.91 +/- 0.45  64.659% * 99.2465% (1.00   2.98   7.75) =  99.901%  kept
          QG1   VAL   83 - HN    ALA   91   9.89 +/- 1.73  11.961% *  0.3506% (0.53   0.02   0.02) =   0.065%
          QG1   VAL   83 - HN    TRP   27  13.28 +/- 7.40   8.159% *  0.1686% (0.07   0.08   0.02) =   0.021%
          QD1   LEU  104 - HN    TRP   27  14.82 +/- 4.38  13.456% *  0.0491% (0.02   0.08   0.02) =   0.010%
          QG2   ILE   89 - HN    TRP   27  17.09 +/- 4.30   1.158% *  0.0823% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  20.26 +/- 2.16   0.606% *  0.1028% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.452, support = 5.25, residual support = 38.4:
          HG3   LYS+  99 - HN    GLU- 100   3.70 +/- 0.63  40.745% * 94.9552% (0.45   5.30  38.83) =  98.987%  kept
          QB    ALA   34 - HN    GLU- 100   5.61 +/- 2.21  23.903% *  0.5801% (0.73   0.02   0.02) =   0.355%  kept
          QG2   THR   39 - HN    GLU- 100   6.63 +/- 2.18  16.806% *  0.7557% (0.95   0.02   0.02) =   0.325%  kept
          HG3   LYS+  38 - HN    GLU- 100   7.50 +/- 2.16  14.288% *  0.7918% (0.99   0.02   0.02) =   0.289%  kept
          HG    LEU   71 - HN    GLU- 100  11.54 +/- 3.43   1.860% *  0.2998% (0.38   0.02   0.02) =   0.014%
          HG13  ILE   19 - HN    GLU- 100  15.72 +/- 3.69   0.863% *  0.5168% (0.65   0.02   0.02) =   0.011%
          QG2   ILE   56 - HN    GLU- 100  18.79 +/- 1.94   0.327% *  0.7165% (0.90   0.02   0.02) =   0.006%
          QB    ALA   91 - HN    GLU- 100  21.90 +/- 1.71   0.238% *  0.7557% (0.95   0.02   0.02) =   0.005%
          QG2   THR   23 - HN    GLU- 100  17.80 +/- 2.94   0.531% *  0.2998% (0.38   0.02   0.02) =   0.004%
          HG2   LYS+  74 - HN    GLU- 100  18.27 +/- 2.10   0.439% *  0.3284% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.564, support = 0.978, residual support = 5.49:
          QB    ALA   84 - HN    LYS+  81   4.51 +/- 0.22  80.399% * 76.0519% (0.57   0.98   5.52) =  99.476%  kept
          HB3   LEU   73 - HN    LYS+  81  15.02 +/- 2.69   2.890% *  2.5217% (0.92   0.02   0.02) =   0.119%  kept
          HB3   PRO   93 - HN    LYS+  81  16.24 +/- 1.94   2.070% *  1.6568% (0.61   0.02   0.02) =   0.056%
          HG3   LYS+ 106 - HN    LYS+  81  20.48 +/- 3.53   1.124% *  2.7317% (1.00   0.02   0.02) =   0.050%
          HG3   LYS+  65 - HN    LYS+  81  20.38 +/- 3.77   1.243% *  2.3695% (0.87   0.02   0.02) =   0.048%
          HG3   LYS+ 102 - HN    LYS+  81  23.83 +/- 4.85   1.030% *  2.5841% (0.95   0.02   0.02) =   0.043%
          HB    VAL   42 - HN    LYS+  81  19.38 +/- 2.12   1.105% *  2.3695% (0.87   0.02   0.02) =   0.043%
          HG    LEU   98 - HN    LYS+  81  19.96 +/- 4.40   2.090% *  1.2247% (0.45   0.02   0.02) =   0.042%
          HG3   LYS+  33 - HN    LYS+  81  23.42 +/- 5.40   0.827% *  2.1874% (0.80   0.02   0.02) =   0.029%
          HB2   LYS+ 112 - HN    LYS+  81  24.02 +/- 2.78   0.646% *  2.6776% (0.98   0.02   0.02) =   0.028%
          HB3   ASP-  44 - HN    LYS+  81  14.78 +/- 1.87   2.660% *  0.6082% (0.22   0.02   0.02) =   0.026%
          QB    LEU   98 - HN    LYS+  81  17.70 +/- 3.02   1.997% *  0.5406% (0.20   0.02   0.02) =   0.018%
          QB    ALA   12 - HN    LYS+  81  25.41 +/- 4.83   0.595% *  1.1230% (0.41   0.02   0.02) =   0.011%
          HB2   LEU   63 - HN    LYS+  81  20.72 +/- 2.11   0.925% *  0.4215% (0.15   0.02   0.02) =   0.006%
          QB    ALA  124 - HN    LYS+  81  28.48 +/- 3.21   0.399% *  0.9318% (0.34   0.02   0.02) =   0.006%
    Distance limit 4.26 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.925, support = 5.78, residual support = 212.8:
          QD1   ILE   89 - HN    ILE   89   3.23 +/- 0.87  73.102% * 94.5169% (0.92   5.89 217.01) =  98.079%  kept
          QG2   VAL   83 - HN    ILE   89   5.48 +/- 0.76  25.747% *  5.2443% (1.00   0.30   0.02) =   1.917%  kept
          QD2   LEU   31 - HN    ILE   89  17.26 +/- 4.98   1.150% *  0.2388% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.366, support = 4.19, residual support = 10.4:
          QB    ALA   88 - HN    ILE   89   3.40 +/- 0.38  59.265% * 61.2471% (0.34   4.86   9.71) =  76.560%  kept
          QB    ALA   84 - HN    ILE   89   4.43 +/- 0.64  33.610% * 32.9389% (0.45   1.99  12.53) =  23.351%  kept
          HB3   LEU   80 - HN    ILE   89  10.13 +/- 1.08   2.715% *  0.7243% (0.98   0.02   0.02) =   0.041%
          HB3   ASP-  44 - HN    ILE   89  14.77 +/- 1.94   0.871% *  0.6172% (0.84   0.02   0.02) =   0.011%
          HB3   PRO   93 - HN    ILE   89  12.38 +/- 0.88   1.341% *  0.3038% (0.41   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - HN    ILE   89  18.31 +/- 3.02   0.447% *  0.7243% (0.98   0.02   0.02) =   0.007%
          HB2   LEU   31 - HN    ILE   89  22.54 +/- 6.33   0.383% *  0.7373% (1.00   0.02   0.02) =   0.006%
          HG    LEU   98 - HN    ILE   89  18.67 +/- 5.02   0.599% *  0.4183% (0.57   0.02   0.02) =   0.005%
          HB2   LEU   63 - HN    ILE   89  20.53 +/- 2.80   0.303% *  0.6821% (0.92   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HN    ILE   89  25.24 +/- 3.95   0.176% *  0.5917% (0.80   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ILE   89  26.96 +/- 3.86   0.190% *  0.5076% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    ILE   89  29.70 +/- 3.76   0.101% *  0.5076% (0.69   0.02   0.02) =   0.001%
    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 = 0.59, support = 4.27, residual support = 35.6:
          QB    ALA   91 - HN    GLN   90   4.60 +/- 0.58  42.047% * 61.1670% (0.84   3.04  32.02) =  58.169%  kept
          HG12  ILE   89 - HN    GLN   90   4.23 +/- 1.04  51.386% * 35.9608% (0.25   5.99  40.57) =  41.794%  kept
          HG2   LYS+  74 - HN    GLN   90  17.22 +/- 2.15   1.019% *  0.4446% (0.92   0.02   0.02) =   0.010%
          QG2   ILE   56 - HN    GLN   90  13.27 +/- 2.60   2.380% *  0.1808% (0.38   0.02   0.02) =   0.010%
          QG2   THR   39 - HN    GLN   90  23.09 +/- 2.04   0.399% *  0.4023% (0.84   0.02   0.02) =   0.004%
          HG13  ILE   19 - HN    GLN   90  26.36 +/- 3.88   0.285% *  0.4817% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    GLN   90  17.21 +/- 2.81   1.297% *  0.0953% (0.20   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    GLN   90  26.83 +/- 2.51   0.251% *  0.4556% (0.95   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    GLN   90  25.61 +/- 2.81   0.254% *  0.4320% (0.90   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    GLN   90  21.36 +/- 2.32   0.528% *  0.1072% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    GLN   90  31.38 +/- 2.34   0.155% *  0.2727% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (2.24, 7.39, 112.01 ppm):
    11 chemical-shift based assignments, quality = 0.341, support = 3.02, residual support = 94.7:
      O   QG    GLN   90 - HE21  GLN   90   2.24 +/- 0.11  97.115% * 98.4545% (0.34  10.0   3.02  94.70) =  99.993%  kept
          HG3   MET   92 - HE21  GLN   90  10.57 +/- 2.04   1.766% *  0.2886% (1.00   1.0   0.02   0.22) =   0.005%
          HB3   ASP-  76 - HE21  GLN   90  14.60 +/- 2.43   0.477% *  0.1634% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HE21  GLN   90  24.40 +/- 2.30   0.082% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  25.00 +/- 2.59   0.087% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  29.22 +/- 5.18   0.057% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  18.30 +/- 1.70   0.200% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  24.19 +/- 1.71   0.084% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  32.15 +/- 3.77   0.038% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  29.99 +/- 4.07   0.051% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  31.18 +/- 4.12   0.043% *  0.0391% (0.14   1.0   0.02   0.02) =   0.000%
    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 = 5.59, residual support = 94.7:
      O   HB2   GLN   90 - HN    GLN   90   2.98 +/- 0.64  97.498% * 99.4917% (0.73  10.0   5.59  94.70) =  99.997%  kept
          HB3   GLU-  79 - HN    GLN   90  13.32 +/- 1.56   1.731% *  0.1343% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    GLN   90  28.00 +/- 4.34   0.178% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  28.63 +/- 2.48   0.147% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  27.43 +/- 4.62   0.196% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  28.61 +/- 2.96   0.143% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  31.67 +/- 2.38   0.106% *  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 = 0.852, support = 5.38, residual support = 42.9:
          QD2   LEU   73 - HN    PHE   72   4.69 +/- 0.76  35.968% * 94.4094% (0.87   5.54  44.28) =  96.828%  kept
          QG2   VAL   18 - HN    PHE   72   8.10 +/- 5.54  26.034% *  3.5090% (0.34   0.52   1.38) =   2.605%  kept
          QG1   VAL   43 - HN    PHE   72   7.62 +/- 0.97  11.648% *  1.0667% (0.57   0.10   0.02) =   0.354%  kept
          QG1   VAL   41 - HN    PHE   72   6.60 +/- 0.83  15.210% *  0.3000% (0.76   0.02   0.02) =   0.130%  kept
          HG    LEU   31 - HN    PHE   72  10.33 +/- 1.78   4.503% *  0.3789% (0.97   0.02   0.02) =   0.049%
          QD1   ILE   56 - HN    PHE   72  12.91 +/- 2.72   3.763% *  0.2381% (0.61   0.02   0.02) =   0.026%
          QG2   THR   46 - HN    PHE   72  11.00 +/- 0.82   2.874% *  0.0979% (0.25   0.02   0.02) =   0.008%
    Distance limit 4.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 45.6:
          QB    ALA   64 - HN    PHE   72   4.11 +/- 0.39  97.868% * 99.8936% (1.00   3.29  45.58) =  99.998%  kept
          QB    ALA   47 - HN    PHE   72  15.42 +/- 1.16   2.132% *  0.1064% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.702, support = 2.64, residual support = 7.86:
          HB    ILE   19 - HN    LYS+  74   8.58 +/- 6.42  36.488% * 92.1588% (0.71   2.68   7.99) =  98.408%  kept
          HB2   GLN   17 - HN    LYS+  74  13.19 +/- 6.57   7.135% *  4.4820% (0.43   0.21   0.02) =   0.936%  kept
          HG2   PRO   68 - HN    LYS+  74  14.60 +/- 1.98  10.420% *  0.6751% (0.69   0.02   0.02) =   0.206%  kept
          QB    GLU- 114 - HN    LYS+  74  17.80 +/- 3.51   6.066% *  0.6872% (0.71   0.02   0.02) =   0.122%  kept
          HB2   LEU  115 - HN    LYS+  74  16.45 +/- 3.89  12.439% *  0.2349% (0.24   0.02   0.02) =   0.086%
          HB3   GLU-  25 - HN    LYS+  74  15.01 +/- 3.85   4.633% *  0.5515% (0.57   0.02   0.02) =   0.075%
          HB3   PRO   68 - HN    LYS+  74  14.19 +/- 2.01  12.002% *  0.1717% (0.18   0.02   0.02) =   0.060%
          QB    GLU-  15 - HN    LYS+  74  15.10 +/- 4.23   3.711% *  0.4177% (0.43   0.02   0.02) =   0.045%
          HG3   PRO   58 - HN    LYS+  74  18.20 +/- 2.66   4.294% *  0.2585% (0.27   0.02   0.02) =   0.032%
          HB2   LYS+ 111 - HN    LYS+  74  21.81 +/- 3.57   2.811% *  0.3624% (0.37   0.02   0.02) =   0.030%
    Distance limit 4.68 A violated in 6 structures by 2.15 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.42, residual support = 41.5:
          QD1   LEU   73 - HN    LYS+  74   4.53 +/- 0.57  56.930% * 97.1321% (0.37   5.44  41.66) =  99.621%  kept
          QD2   LEU   80 - HN    LYS+  74   9.57 +/- 2.63  10.599% *  0.6084% (0.64   0.02   0.02) =   0.116%  kept
          QD1   LEU   63 - HN    LYS+  74   9.77 +/- 1.72  10.822% *  0.3569% (0.37   0.02   0.02) =   0.070%
          QD2   LEU  115 - HN    LYS+  74  13.53 +/- 3.06   6.467% *  0.5884% (0.61   0.02   0.02) =   0.069%
          QD1   LEU  104 - HN    LYS+  74  13.76 +/- 3.11   4.979% *  0.6769% (0.71   0.02   0.02) =   0.061%
          QG1   VAL   83 - HN    LYS+  74  11.12 +/- 2.10   5.803% *  0.5184% (0.54   0.02   0.02) =   0.054%
          QG2   ILE   89 - HN    LYS+  74  13.01 +/- 2.64   4.401% *  0.1188% (0.12   0.02   0.02) =   0.009%
    Distance limit 4.69 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.355, support = 4.47, residual support = 26.7:
          QG2   THR   77 - HN    ASP-  78   3.77 +/- 0.63  57.501% * 77.3390% (0.34   4.65  27.66) =  95.659%  kept
          HB3   LEU   80 - HN    ASP-  78   7.20 +/- 0.84  11.543% * 16.6719% (0.69   0.50   6.34) =   4.139%  kept
          QB    ALA   84 - HN    ASP-  78   5.95 +/- 1.02  19.888% *  0.1505% (0.15   0.02   0.02) =   0.064%
          QB    ALA   88 - HN    ASP-  78  11.70 +/- 1.71   3.500% *  0.7085% (0.73   0.02   0.02) =   0.053%
          HB3   ASP-  44 - HN    ASP-  78  10.21 +/- 1.67   3.722% *  0.4374% (0.45   0.02   0.02) =   0.035%
          HB2   LEU   63 - HN    ASP-  78  15.96 +/- 2.27   1.058% *  0.5524% (0.57   0.02   0.02) =   0.013%
          HB2   LEU   31 - HN    ASP-  78  19.65 +/- 3.55   0.602% *  0.8149% (0.84   0.02   0.02) =   0.011%
          HG2   LYS+ 111 - HN    ASP-  78  20.71 +/- 2.46   0.465% *  0.8750% (0.90   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    ASP-  78  23.87 +/- 2.48   0.328% *  0.9757% (1.00   0.02   0.02) =   0.007%
          HG    LEU   98 - HN    ASP-  78  18.23 +/- 3.05   0.925% *  0.2172% (0.22   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    ASP-  78  26.78 +/- 1.70   0.199% *  0.9563% (0.98   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    ASP-  78  25.30 +/- 2.94   0.270% *  0.3011% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.38 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 = 0.932, support = 0.698, residual support = 0.528:
          QB    ALA   47 - HN    ASP-  78   6.81 +/- 2.07  72.315% * 62.3987% (0.92   0.75   0.62) =  85.070%  kept
          QG1   VAL   42 - HN    ASP-  78  12.14 +/- 1.17  21.762% * 35.9373% (0.98   0.41   0.02) =  14.744%  kept
          HG2   LYS+ 112 - HN    ASP-  78  18.49 +/- 2.87   5.922% *  1.6640% (0.92   0.02   0.02) =   0.186%  kept
    Distance limit 4.63 A violated in 9 structures by 2.15 A, kept.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.667, support = 4.18, residual support = 24.4:
          HB    THR   77 - HN    ASP-  78   3.93 +/- 0.32  58.136% * 37.6209% (0.45   4.65  27.66) =  53.902%  kept
          HA    GLU-  79 - HN    ASP-  78   4.92 +/- 0.22  30.796% * 60.6582% (0.92   3.64  20.53) =  46.038%  kept
          HA1   GLY   51 - HN    ASP-  78  13.97 +/- 2.58   1.887% *  0.3603% (1.00   0.02   0.02) =   0.017%
          HA    ALA   57 - HN    ASP-  78  15.96 +/- 4.74   1.884% *  0.3238% (0.90   0.02   0.02) =   0.015%
          HA    ASP-  44 - HN    ASP-  78  10.50 +/- 1.14   3.365% *  0.1355% (0.38   0.02   0.02) =   0.011%
          HA    SER   85 - HN    ASP-  78  11.78 +/- 1.16   2.562% *  0.1619% (0.45   0.02   0.02) =   0.010%
          HA    ILE  103 - HN    ASP-  78  19.09 +/- 2.33   0.595% *  0.2044% (0.57   0.02   0.02) =   0.003%
          HA    THR   39 - HN    ASP-  78  23.07 +/- 1.55   0.308% *  0.3485% (0.97   0.02   0.02) =   0.003%
          HA    MET   11 - HN    ASP-  78  30.10 +/- 5.31   0.187% *  0.1232% (0.34   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ASP-  78  24.13 +/- 2.05   0.280% *  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   2.81 +/- 0.05  91.215% * 98.6708% (1.00  10.0   4.57  39.69) =  99.916%  kept
          HA    LEU   80 - HN    ASP-  78   7.05 +/- 0.58   6.180% *  1.1948% (0.49   1.0   0.50   6.34) =   0.082%
          HA    THR   23 - HN    ASP-  78  14.83 +/- 6.40   1.486% *  0.0856% (0.87   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ASP-  78  16.73 +/- 5.99   0.879% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.02 +/- 2.04   0.240% *  0.0152% (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 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.988, support = 7.87, residual support = 192.1:
      O   HA    ILE  119 - HN    ILE  119   2.80 +/- 0.07  59.036% * 50.7779% (1.00  10.0   8.57 261.55) =  67.060%  kept
      O   HA    THR  118 - HN    ILE  119   3.51 +/- 0.06  30.046% * 49.0042% (0.97  10.0   6.46  50.58) =  32.938%  kept
          HA2   GLY  109 - HN    ILE  119  13.44 +/- 2.03   0.667% *  0.0369% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    CYS   21   9.45 +/- 6.52   7.413% *  0.0028% (0.06   1.0   0.02   2.15) =   0.000%
          HA    ILE  119 - HN    CYS   21  17.69 +/- 4.32   1.276% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  22.40 +/- 2.27   0.137% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  19.89 +/- 4.38   0.410% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  22.20 +/- 2.44   0.135% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  19.04 +/- 6.38   0.335% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  21.62 +/- 3.96   0.184% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  18.04 +/- 1.60   0.238% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  24.07 +/- 3.03   0.123% *  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 = 0.702, support = 5.39, residual support = 30.2:
          HB2   CYS   53 - HN    ARG+  54   3.25 +/- 0.32  62.224% * 83.2546% (0.72   5.52  31.61) =  95.416%  kept
          HD3   PRO   52 - HN    ARG+  54   5.23 +/- 0.16  16.443% * 14.5435% (0.26   2.65   1.93) =   4.405%  kept
          HD2   PRO   58 - HN    ASP-  62   6.91 +/- 0.97   8.221% *  0.8035% (0.16   0.24   0.02) =   0.122%  kept
          HD2   PRO   58 - HN    ARG+  54   7.96 +/- 1.78   7.567% *  0.3642% (0.87   0.02   0.02) =   0.051%
          HB2   CYS   53 - HN    ASP-  62  10.16 +/- 1.99   3.205% *  0.0564% (0.14   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    ARG+  54  20.54 +/- 2.42   0.296% *  0.3422% (0.82   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ARG+  54  28.51 +/- 2.99   0.105% *  0.3296% (0.79   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    ARG+  54  25.81 +/- 3.59   0.205% *  0.1346% (0.32   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    ASP-  62  21.59 +/- 3.70   0.278% *  0.0617% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  14.92 +/- 1.89   0.771% *  0.0205% (0.05   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  21.73 +/- 2.25   0.244% *  0.0640% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  19.14 +/- 2.53   0.441% *  0.0252% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 0.381, residual support = 0.126:
          QG2   THR   46 - HN    ALA   61   8.18 +/- 2.90  28.376% * 32.6595% (0.87   0.40   0.17) =  49.688%  kept
          QG2   VAL   18 - HN    ALA   61  10.27 +/- 3.39  15.801% * 37.1869% (0.95   0.42   0.12) =  31.504%  kept
          QD2   LEU   73 - HN    ALA   61   9.33 +/- 2.72  20.947% *  9.3161% (0.25   0.40   0.02) =  10.463%  kept
          QG1   VAL   43 - HN    ALA   61  10.70 +/- 1.04   9.281% * 11.2626% (1.00   0.12   0.02) =   5.605%  kept
          QD1   ILE   19 - HN    ALA   61  13.61 +/- 1.55   4.474% *  6.4231% (0.53   0.13   0.02) =   1.541%  kept
          QG1   VAL   41 - HN    ALA   61  12.97 +/- 1.75   7.218% *  1.7384% (0.92   0.02   0.02) =   0.673%  kept
          QD2   LEU  104 - HN    ALA   61  15.07 +/- 3.75   8.777% *  0.7068% (0.38   0.02   0.02) =   0.333%  kept
          HG    LEU   31 - HN    ALA   61  16.81 +/- 3.47   5.126% *  0.7068% (0.38   0.02   0.02) =   0.194%  kept
    Distance limit 4.70 A violated in 7 structures by 1.25 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.921, support = 5.6, residual support = 51.3:
          QB    GLU-  36 - HN    ASN   35   4.16 +/- 0.12  70.644% * 89.8232% (0.92   5.68  52.06) =  98.515%  kept
          HB3   GLU-  29 - HN    ASN   35   8.82 +/- 0.85   8.776% *  7.4580% (0.99   0.44   0.02) =   1.016%  kept
          HB2   LYS+  38 - HN    ASN   35   7.01 +/- 0.47  15.477% *  1.8660% (0.28   0.39   0.02) =   0.448%  kept
          HG3   GLU-  29 - HN    ASN   35  10.84 +/- 0.73   4.327% *  0.2487% (0.73   0.02   0.02) =   0.017%
          HB3   GLU-  79 - HN    ASN   35  21.95 +/- 3.51   0.577% *  0.2970% (0.87   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    ASN   35  30.40 +/- 2.99   0.199% *  0.3071% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 47.7:
      O   QB    MET   11 - HN    MET   11   2.78 +/- 0.51  91.655% * 99.3665% (0.69  10.0   3.00  47.69) =  99.997%  kept
          QG    GLU-  14 - HN    MET   11   9.67 +/- 1.62   3.934% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    MET   11  19.63 +/- 4.72   0.627% *  0.1255% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   11  12.42 +/- 2.13   1.917% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    MET   11  20.69 +/- 6.96   1.421% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  28.65 +/- 6.28   0.147% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  33.57 +/- 4.38   0.087% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  37.77 +/- 3.15   0.045% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  27.45 +/- 3.34   0.119% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  36.95 +/- 4.40   0.049% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 47.7:
          HG2   MET   11 - HN    MET   11   3.79 +/- 0.81  89.314% * 97.3780% (0.92   3.31  47.69) =  99.952%  kept
          HB2   GLU-  14 - HN    MET   11  11.02 +/- 1.65   4.776% *  0.6025% (0.95   0.02   0.02) =   0.033%
          QB    GLN   32 - HN    MET   11  17.99 +/- 4.46   2.748% *  0.1771% (0.28   0.02   0.02) =   0.006%
          HB2   PRO   68 - HN    MET   11  23.37 +/- 5.38   1.082% *  0.3100% (0.49   0.02   0.02) =   0.004%
          HB    VAL   24 - HN    MET   11  22.83 +/- 5.55   1.531% *  0.1418% (0.22   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    MET   11  33.15 +/- 5.34   0.255% *  0.6243% (0.98   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    MET   11  38.23 +/- 4.42   0.123% *  0.6243% (0.98   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    MET   11  34.04 +/- 3.66   0.172% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.39 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   3.17 +/- 0.54  92.702% * 98.0250% (0.92   3.31  47.69) =  99.967%  kept
          HB3   GLU-  14 - HN    MET   11  10.83 +/- 1.70   5.169% *  0.4901% (0.76   0.02   0.02) =   0.028%
          HB3   GLN   30 - HN    MET   11  19.28 +/- 2.95   0.799% *  0.2188% (0.34   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    MET   11  23.44 +/- 5.54   0.605% *  0.1269% (0.20   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   11  31.79 +/- 5.66   0.164% *  0.4405% (0.69   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    MET   11  30.21 +/- 2.77   0.149% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  24.79 +/- 3.72   0.330% *  0.0990% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  37.57 +/- 3.04   0.082% *  0.3122% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.81, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  18.20 +/- 3.43  37.897% * 22.9200% (1.00   0.02   0.02) =  52.904%  kept
          HD3   LYS+  74 - HN    MET   11  24.54 +/- 5.42  20.344% * 12.0587% (0.53   0.02   0.02) =  14.942%  kept
          QG    LYS+  81 - HN    MET   11  30.42 +/- 5.73  10.065% * 19.1444% (0.84   0.02   0.02) =  11.736%  kept
          HB3   LYS+ 121 - HN    MET   11  32.02 +/- 5.70  11.944% *  8.6021% (0.38   0.02   0.02) =   6.258%  kept
          HG2   LYS+ 106 - HN    MET   11  33.97 +/- 3.95   5.808% * 17.5161% (0.76   0.02   0.02) =   6.197%  kept
          HG    LEU  104 - HN    MET   11  29.28 +/- 4.87   9.705% *  8.6021% (0.38   0.02   0.02) =   5.085%  kept
          HB3   LYS+ 111 - HN    MET   11  39.42 +/- 5.14   4.236% * 11.1564% (0.49   0.02   0.02) =   2.879%  kept
    Distance limit 4.40 A violated in 20 structures by 11.86 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.57, residual support = 12.1:
          HG2   MET   11 - HN    ALA   12   4.04 +/- 0.56  80.983% * 97.8347% (0.72   3.58  12.07) =  99.879%  kept
          HB2   GLU-  14 - HN    ALA   12   8.09 +/- 1.21  16.513% *  0.5459% (0.72   0.02   0.02) =   0.114%  kept
          HB2   PRO   68 - HN    ALA   12  20.64 +/- 5.61   1.362% *  0.1521% (0.20   0.02   0.02) =   0.003%
          HG2   PRO   58 - HN    ALA   12  30.68 +/- 5.27   0.334% *  0.5363% (0.71   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    ALA   12  36.22 +/- 3.92   0.145% *  0.5363% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  31.80 +/- 3.44   0.224% *  0.2249% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  33.61 +/- 6.06   0.259% *  0.0958% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.42 +/- 3.69   0.180% *  0.0740% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.76 +/- 0.22  97.109% * 99.1918% (0.68  10.0   2.30  12.35) =  99.998%  kept
          HG3   LYS+  33 - HN    ALA   12  16.69 +/- 3.85   0.789% *  0.0992% (0.68   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   12  20.67 +/- 4.12   0.390% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  23.09 +/- 4.52   0.253% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  23.00 +/- 2.56   0.205% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  20.56 +/- 4.39   0.398% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.94 +/- 2.58   0.194% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  28.77 +/- 4.95   0.113% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  30.20 +/- 6.78   0.178% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  30.89 +/- 3.90   0.083% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  35.26 +/- 5.85   0.068% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  29.28 +/- 6.62   0.137% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  31.82 +/- 3.65   0.082% *  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 = 0.946, support = 1.76, residual support = 5.16:
          QB    ALA   12 - HN    SER   13   2.89 +/- 0.65  94.919% * 91.5357% (0.95   1.76   5.16) =  99.952%  kept
          HG3   LYS+  33 - HN    SER   13  15.18 +/- 4.12   1.568% *  1.0389% (0.95   0.02   0.02) =   0.019%
          HB3   LEU   73 - HN    SER   13  18.83 +/- 4.44   0.582% *  0.9173% (0.84   0.02   0.02) =   0.006%
          HG3   LYS+  65 - HN    SER   13  20.67 +/- 4.47   0.491% *  0.9849% (0.90   0.02   0.02) =   0.006%
          HB    VAL   42 - HN    SER   13  20.76 +/- 2.53   0.364% *  0.9849% (0.90   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    SER   13  18.59 +/- 4.22   0.643% *  0.4924% (0.45   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    SER   13  21.23 +/- 2.53   0.354% *  0.7975% (0.73   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    SER   13  27.80 +/- 6.54   0.356% *  0.4515% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    SER   13  27.18 +/- 4.48   0.179% *  0.8794% (0.80   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    SER   13  28.72 +/- 3.99   0.140% *  0.6661% (0.61   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   13  32.88 +/- 5.40   0.112% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  27.71 +/- 5.80   0.174% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  29.56 +/- 3.44   0.117% *  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 = 6.62:
          QB    SER   13 - HN    GLU-  14   3.07 +/- 0.64  90.722% * 95.5663% (0.45   2.46   6.63) =  99.900%  kept
          HB3   SER   37 - HN    GLU-  14  14.18 +/- 5.42   5.547% *  1.0019% (0.58   0.02   0.02) =   0.064%
          HB    THR   39 - HN    GLU-  14  15.05 +/- 5.03   3.180% *  0.8239% (0.48   0.02   0.02) =   0.030%
          HB    THR  118 - HN    GLU-  14  25.46 +/- 5.05   0.267% *  1.1968% (0.70   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    GLU-  14  32.93 +/- 3.42   0.099% *  1.0019% (0.58   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLU-  14  29.61 +/- 5.70   0.185% *  0.4092% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.514, support = 3.71, residual support = 37.9:
          QG    GLU-  14 - HN    GLU-  14   3.52 +/- 0.70  56.773% * 68.1861% (0.53   4.05  45.47) =  82.821%  kept
          QG    GLU-  15 - HN    GLU-  14   5.13 +/- 1.07  27.980% * 28.3099% (0.42   2.12   1.69) =  16.947%  kept
          HB2   GLU-  29 - HN    GLU-  14  14.79 +/- 5.04   6.244% *  1.5198% (0.51   0.10   0.02) =   0.203%  kept
          QB    MET   11 - HN    GLU-  14   8.02 +/- 0.79   6.842% *  0.0872% (0.14   0.02   0.02) =   0.013%
          HB3   PHE   72 - HN    GLU-  14  16.13 +/- 4.15   1.107% *  0.3680% (0.58   0.02   0.02) =   0.009%
          HG12  ILE  119 - HN    GLU-  14  23.77 +/- 4.48   0.291% *  0.4367% (0.69   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    GLU-  14  20.78 +/- 3.18   0.382% *  0.3200% (0.51   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    GLU-  14  30.02 +/- 3.00   0.116% *  0.3952% (0.62   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    GLU-  14  31.70 +/- 2.54   0.091% *  0.2672% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  25.66 +/- 3.80   0.174% *  0.1099% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.88, residual support = 45.5:
      O   HB2   GLU-  14 - HN    GLU-  14   3.18 +/- 0.65  90.960% * 99.6047% (0.70  10.0   3.88  45.47) =  99.992%  kept
          HG2   MET   11 - HN    GLU-  14   9.10 +/- 1.28   6.276% *  0.0998% (0.70   1.0   0.02   0.02) =   0.007%
          HB2   PRO   68 - HN    GLU-  14  16.19 +/- 5.71   1.918% *  0.0278% (0.19   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU-  14  26.06 +/- 4.64   0.222% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  32.05 +/- 3.63   0.127% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  27.43 +/- 3.26   0.203% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  29.46 +/- 5.55   0.168% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  30.87 +/- 3.57   0.125% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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   3.30 +/- 0.30  88.827% * 99.6986% (0.62  10.0   3.88  45.47) =  99.990%  kept
          HG3   MET   11 - HN    GLU-  14   9.35 +/- 1.92   9.859% *  0.0807% (0.51   1.0   0.02   0.02) =   0.009%
          HB2   LEU   40 - HN    GLU-  14  17.97 +/- 3.76   0.824% *  0.0850% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    GLU-  14  24.03 +/- 2.17   0.269% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  29.38 +/- 5.55   0.221% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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   3.13 +/- 0.71  89.098% * 98.8355% (1.00   5.60  85.30) =  99.966%  kept
          HB    VAL   70 - HN    GLN   17  11.63 +/- 5.84   5.470% *  0.3465% (0.98   0.02   0.02) =   0.022%
          HB2   GLU-  25 - HN    GLN   17  17.30 +/- 3.43   2.016% *  0.3504% (0.99   0.02   0.02) =   0.008%
          HB2   LYS+  38 - HN    GLN   17  16.52 +/- 4.49   1.455% *  0.0983% (0.28   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    GLN   17  19.34 +/- 4.09   0.584% *  0.2287% (0.65   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HN    GLN   17  19.13 +/- 3.75   0.650% *  0.0787% (0.22   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLN   17  20.29 +/- 5.87   0.727% *  0.0619% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.42, residual support = 82.1:
      O   HB2   GLN   17 - HN    GLN   17   3.22 +/- 0.59  56.487% * 90.2383% (0.92  10.0   5.57  85.30) =  96.211%  kept
          QB    GLU-  15 - HN    GLN   17   4.45 +/- 0.27  24.734% *  7.6985% (0.92   1.0   1.71   0.02) =   3.594%  kept
          HB    ILE   19 - HN    GLN   17   7.30 +/- 0.81   5.808% *  1.6480% (0.80   1.0   0.42   0.02) =   0.181%  kept
          HB3   PRO   68 - HN    GLN   17  12.33 +/- 7.13   6.731% *  0.0553% (0.57   1.0   0.02   0.02) =   0.007%
          HG2   PRO   68 - HN    GLN   17  12.96 +/- 6.14   2.813% *  0.0710% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    GLN   17  18.00 +/- 3.22   0.547% *  0.0975% (1.00   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLN   17  22.34 +/- 4.99   0.553% *  0.0848% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLN   17  11.64 +/- 2.94   2.143% *  0.0218% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLN   17  27.57 +/- 5.23   0.182% *  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   3.10 +/- 0.47  64.927% * 99.6298% (0.98  10.0   5.27  85.30) =  99.962%  kept
          HB2   LEU   71 - HN    GLN   17  10.44 +/- 8.35  26.362% *  0.0777% (0.76   1.0   0.02   0.02) =   0.032%
          QB    LYS+  65 - HN    GLN   17  12.59 +/- 4.81   3.694% *  0.0738% (0.73   1.0   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    GLN   17  12.70 +/- 4.65   3.350% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    GLN   17  20.43 +/- 3.48   0.316% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  18.48 +/- 2.95   0.439% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  18.07 +/- 4.49   0.531% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  24.59 +/- 4.50   0.216% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  26.06 +/- 5.04   0.165% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 2.18, residual support = 8.6:
          QB    GLU-  15 - HN    GLY   16   3.02 +/- 0.65  63.691% * 39.3770% (0.98   1.94   5.46) =  73.767%  kept
          HB2   GLN   17 - HN    GLY   16   5.54 +/- 0.65  15.182% * 58.4246% (0.98   2.88  17.53) =  26.089%  kept
          HB3   PRO   68 - HN    GLY   16  12.43 +/- 7.13   6.129% *  0.3247% (0.78   0.02   0.02) =   0.059%
          HG2   PRO   68 - HN    GLY   16  12.95 +/- 6.21   5.440% *  0.1974% (0.47   0.02   0.02) =   0.032%
          HB    ILE   19 - HN    GLY   16   8.37 +/- 1.00   4.183% *  0.2296% (0.55   0.02   0.02) =   0.028%
          HG3   GLN   30 - HN    GLY   16  12.09 +/- 2.67   1.806% *  0.1667% (0.40   0.02   0.02) =   0.009%
          QB    GLU- 114 - HN    GLY   16  22.68 +/- 5.40   0.634% *  0.2623% (0.63   0.02   0.02) =   0.005%
          HB3   GLU-  25 - HN    GLY   16  19.02 +/- 2.96   0.392% *  0.3836% (0.92   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    GLY   16  12.56 +/- 2.59   1.462% *  0.0710% (0.17   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    GLY   16  28.18 +/- 5.64   0.173% *  0.4019% (0.97   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    GLY   16  18.80 +/- 4.20   0.477% *  0.0903% (0.22   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  20.34 +/- 4.36   0.432% *  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 = 50.5:
          QG    GLN   17 - HN    VAL   18   3.09 +/- 0.62  86.715% * 98.7500% (0.70   5.80  50.49) =  99.961%  kept
          HB    VAL   70 - HN    VAL   18  11.39 +/- 6.13   5.840% *  0.3031% (0.62   0.02   0.02) =   0.021%
          HB2   GLU-  25 - HN    VAL   18  16.33 +/- 3.66   2.013% *  0.3914% (0.81   0.02   0.02) =   0.009%
          HG3   GLU-  29 - HN    VAL   18  16.02 +/- 4.34   4.135% *  0.1168% (0.24   0.02   0.02) =   0.006%
          HB2   LYS+  38 - HN    VAL   18  19.04 +/- 3.76   0.627% *  0.3219% (0.66   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    VAL   18  18.12 +/- 4.68   0.670% *  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 = 76.5:
      O   HB    VAL   18 - HN    VAL   18   2.51 +/- 0.33  82.445% * 93.7503% (0.70  10.0   4.99  76.76) =  99.611%  kept
          HB    ILE   19 - HN    VAL   18   6.83 +/- 0.39   5.013% *  5.7698% (0.21   1.0   4.01  22.86) =   0.373%  kept
          HB2   LEU   67 - HN    VAL   18  10.62 +/- 6.97   8.675% *  0.1221% (0.91   1.0   0.02   0.02) =   0.014%
          HG2   PRO   68 - HN    VAL   18  13.23 +/- 6.18   2.649% *  0.0359% (0.27   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    VAL   18  18.93 +/- 4.39   0.337% *  0.1192% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  20.26 +/- 4.37   0.272% *  0.1221% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  21.33 +/- 5.30   0.311% *  0.0579% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  21.04 +/- 4.44   0.298% *  0.0226% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.342, support = 5.33, residual support = 49.2:
          HB3   GLN   17 - HN    VAL   18   3.25 +/- 0.68  70.742% * 82.1015% (0.33   5.47  50.49) =  97.392%  kept
          QB    LYS+  65 - HN    VAL   18  10.54 +/- 5.35  10.856% * 13.2390% (0.87   0.34   0.02) =   2.410%  kept
          HB2   LEU   71 - HN    VAL   18  12.12 +/- 7.50   7.871% *  0.7639% (0.84   0.02   0.02) =   0.101%  kept
          QB    LYS+  66 - HN    VAL   18  11.39 +/- 4.95   4.528% *  0.7355% (0.81   0.02   0.02) =   0.056%
          HB    VAL   41 - HN    VAL   18  14.81 +/- 5.10   1.641% *  0.5697% (0.62   0.02   0.02) =   0.016%
          HG    LEU  123 - HN    VAL   18  18.61 +/- 4.18   2.873% *  0.2196% (0.24   0.02   0.02) =   0.011%
          QB    LYS+ 102 - HN    VAL   18  20.85 +/- 3.44   0.413% *  0.8498% (0.93   0.02   0.02) =   0.006%
          HG2   PRO   93 - HN    VAL   18  21.93 +/- 4.97   0.382% *  0.8728% (0.96   0.02   0.02) =   0.006%
          HG12  ILE  103 - HN    VAL   18  20.98 +/- 4.03   0.416% *  0.4286% (0.47   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    VAL   18  23.71 +/- 4.40   0.278% *  0.2196% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.891, support = 5.16, residual support = 73.8:
          QG2   VAL   18 - HN    VAL   18   2.35 +/- 0.61  80.547% * 72.2845% (0.91   5.26  76.76) =  94.592%  kept
          QD1   ILE   19 - HN    VAL   18   6.03 +/- 1.00  12.463% * 26.6146% (0.51   3.48  22.86) =   5.389%  kept
          QG1   VAL   41 - HN    VAL   18  12.71 +/- 4.02   1.328% *  0.2683% (0.89   0.02   0.02) =   0.006%
          QG1   VAL   43 - HN    VAL   18  13.68 +/- 4.68   0.905% *  0.2900% (0.96   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    VAL   18  14.19 +/- 5.67   0.994% *  0.2521% (0.84   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    VAL   18  10.12 +/- 4.43   2.698% *  0.0725% (0.24   0.02   0.68) =   0.003%
          HG    LEU   31 - HN    VAL   18  14.54 +/- 1.73   0.751% *  0.1091% (0.36   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   18  17.00 +/- 3.04   0.315% *  0.1091% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.24, residual support = 8.24:
          QB    ALA   64 - HN    VAL   18   7.90 +/- 5.33  75.743% * 99.8612% (0.84   2.24   8.24) =  99.955%  kept
          QD1   LEU  115 - HN    VAL   18  15.91 +/- 4.05  24.257% *  0.1388% (0.13   0.02   0.02) =   0.045%
    Distance limit 4.37 A violated in 9 structures by 3.71 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.41, support = 4.08, residual support = 19.4:
          HN    PHE   59 - HN    PHE   60   2.77 +/- 0.26  56.590% * 57.6332% (0.44   4.34  20.22) =  86.908%  kept
          QE    PHE   59 - HN    THR  118   3.97 +/- 0.55  23.435% * 12.6818% (0.16   2.64  11.82) =   7.919%  kept
          QE    PHE   59 - HN    PHE   60   5.92 +/- 0.99   9.654% * 15.7256% (0.28   1.85  20.22) =   4.045%  kept
          HN    HIS  122 - HN    THR  118   6.99 +/- 0.33   3.757% * 10.7507% (0.21   1.69   4.95) =   1.076%  kept
          HN    PHE   59 - HN    THR  118   9.09 +/- 0.87   1.864% *  0.6320% (0.25   0.08  11.82) =   0.031%
          HN    HIS  122 - HN    PHE   60  11.28 +/- 1.22   1.012% *  0.2246% (0.37   0.02   0.02) =   0.006%
          HN    HIS  122 - HN    GLU-  15  21.49 +/- 4.14   0.203% *  0.4813% (0.80   0.02   0.02) =   0.003%
          QE    PHE   59 - HN    GLU-  15  18.87 +/- 3.04   0.246% *  0.3646% (0.61   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    PHE   60   9.25 +/- 1.12   1.679% *  0.0491% (0.08   0.02   0.02) =   0.002%
          HN    PHE   59 - HN    GLU-  15  22.40 +/- 3.17   0.126% *  0.5686% (0.95   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    GLU-  15  16.03 +/- 4.58   0.501% *  0.1053% (0.18   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  20.64 +/- 3.59   0.176% *  0.2037% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    GLU-  15  29.17 +/- 6.84   0.078% *  0.4365% (0.73   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  20.07 +/- 5.18   0.237% *  0.1151% (0.19   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    THR  118  14.81 +/- 2.20   0.442% *  0.0278% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.28, residual support = 41.4:
          HN    ALA   61 - HN    PHE   60   2.78 +/- 0.24  91.950% * 95.0284% (0.47   5.28  41.41) =  99.976%  kept
          HN    TRP   27 - HN    GLU-  15  15.23 +/- 2.42   0.813% *  0.5893% (0.76   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    THR  118  11.87 +/- 1.28   1.357% *  0.2033% (0.26   0.02   0.02) =   0.003%
          HN    ALA   61 - HN    GLU-  15  19.57 +/- 3.18   0.343% *  0.7710% (1.00   0.02   0.02) =   0.003%
          HN    THR   39 - HN    GLU-  15  14.52 +/- 4.80   1.287% *  0.1526% (0.20   0.02   0.02) =   0.002%
          HN    ALA   91 - HN    PHE   60  17.59 +/- 2.68   0.450% *  0.3567% (0.46   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    PHE   60  19.11 +/- 3.60   0.581% *  0.2750% (0.36   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    THR  118  22.72 +/- 4.91   0.683% *  0.1554% (0.20   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    PHE   60  20.36 +/- 2.83   0.285% *  0.3121% (0.40   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  19.82 +/- 4.29   0.400% *  0.1764% (0.23   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  30.74 +/- 3.61   0.084% *  0.7642% (0.99   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    GLU-  15  30.87 +/- 5.56   0.092% *  0.6688% (0.87   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR  118  20.33 +/- 1.93   0.284% *  0.2016% (0.26   0.02   0.02) =   0.001%
          HN    THR   39 - HN    PHE   60  19.79 +/- 2.53   0.383% *  0.0712% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  19.30 +/- 2.81   0.335% *  0.0630% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  28.99 +/- 5.28   0.110% *  0.1350% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  20.42 +/- 2.72   0.272% *  0.0402% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  20.76 +/- 3.44   0.293% *  0.0356% (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   2.65 +/- 0.57  83.805% * 98.9222% (0.47  10.0   4.92  72.40) =  99.988%  kept
          QE    LYS+ 106 - HN    THR  118  11.74 +/- 3.95   3.533% *  0.0529% (0.25   1.0   0.02   3.12) =   0.002%
          QE    LYS+ 106 - HN    GLU-  15  23.66 +/- 4.36   0.626% *  0.2005% (0.95   1.0   0.02   0.02) =   0.002%
          HB2   PHE   97 - HN    THR  118   9.95 +/- 3.36   3.665% *  0.0294% (0.14   1.0   0.02   2.04) =   0.001%
          HB3   PHE   60 - HN    THR  118  11.92 +/- 1.58   1.733% *  0.0559% (0.26   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    PHE   60  13.25 +/- 2.89   1.745% *  0.0520% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  20.22 +/- 3.31   0.324% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  15.02 +/- 1.90   0.661% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    PHE   60  15.59 +/- 2.14   0.694% *  0.0936% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    PHE   60  16.55 +/- 3.60   1.057% *  0.0482% (0.23   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    GLU-  15  17.16 +/- 4.86   0.650% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  21.66 +/- 2.91   0.255% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  20.23 +/- 4.53   0.807% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.45 +/- 3.02   0.227% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  23.54 +/- 2.97   0.217% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.02, residual support = 20.2:
          HB3   PHE   59 - HN    PHE   60   3.07 +/- 0.64  91.230% * 96.9829% (0.39   4.03  20.22) =  99.967%  kept
          HB3   PHE   59 - HN    THR  118   7.88 +/- 0.76   7.018% *  0.2723% (0.22   0.02  11.82) =   0.022%
          HB3   TRP   49 - HN    PHE   60  16.90 +/- 2.01   0.838% *  0.4619% (0.37   0.02   0.02) =   0.004%
          HB3   PHE   59 - HN    GLU-  15  22.15 +/- 3.05   0.347% *  1.0323% (0.84   0.02   0.02) =   0.004%
          HB3   TRP   49 - HN    GLU-  15  29.98 +/- 4.67   0.200% *  0.9896% (0.80   0.02   0.02) =   0.002%
          HB3   TRP   49 - HN    THR  118  23.06 +/- 2.28   0.367% *  0.2610% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.03 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 = 2.72, residual support = 5.05:
        T HN    SER  117 - HN    THR  118   2.70 +/- 0.19  95.909% * 97.7507% (0.17 10.00   2.73   5.05) =  99.955%  kept
        T HN    SER  117 - HN    PHE   60  10.54 +/- 1.39   2.236% *  1.7701% (0.30 10.00   0.02   0.02) =   0.042%
          HN    GLY   16 - HN    THR  118  21.64 +/- 5.41   1.134% *  0.1088% (0.19  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    PHE   60  18.71 +/- 3.33   0.395% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    PHE   60  22.31 +/- 3.03   0.204% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  25.98 +/- 2.61   0.122% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.131, support = 4.47, residual support = 38.0:
          QG2   THR  118 - HN    THR  118   3.47 +/- 0.21  89.413% * 84.2794% (0.13   4.56  38.81) =  97.839%  kept
          QG2   THR  118 - HN    PHE   60   7.61 +/- 1.06  10.587% * 15.7206% (0.23   0.47   0.02) =   2.161%  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 = 4.47, residual support = 59.8:
      O   HA    PHE   60 - HN    PHE   60   2.78 +/- 0.11  22.034% * 79.4233% (0.22  10.0   4.92  72.40) =  63.990%  kept
      O   HB    THR  118 - HN    THR  118   2.11 +/- 0.13  49.969% * 18.8506% (0.05  10.0   3.69  38.81) =  34.442%  kept
          QB    SER  117 - HN    THR  118   2.67 +/- 0.25  26.297% *  1.6291% (0.03   1.0   3.11   5.05) =   1.567%  kept
          HB    THR  118 - HN    PHE   60   9.28 +/- 1.33   0.818% *  0.0341% (0.09   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    THR  118  10.59 +/- 1.51   0.513% *  0.0439% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  11.20 +/- 1.07   0.369% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 4.1, residual support = 38.9:
      O   HA    THR  118 - HN    THR  118   2.83 +/- 0.05  60.680% * 71.1640% (0.14  10.0   4.06  38.81) =  93.546%  kept
          HA    ILE  119 - HN    THR  118   5.09 +/- 0.15  10.565% * 22.6561% (0.17   1.0   5.43  50.58) =   5.185%  kept
          HD3   PRO   58 - HN    PHE   60   4.51 +/- 0.94  20.073% *  2.5393% (0.06   1.0   1.72   0.02) =   1.104%  kept
          HA    ILE  119 - HN    PHE   60   8.20 +/- 0.85   2.804% *  2.3864% (0.30   1.0   0.32   0.11) =   0.145%  kept
          HA    THR  118 - HN    PHE   60  11.35 +/- 1.06   1.050% *  0.6344% (0.26   1.0   0.10   0.02) =   0.014%
          HA2   GLY  109 - HN    THR  118  11.55 +/- 2.20   1.297% *  0.0417% (0.08   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    PHE   60  16.25 +/- 1.93   0.364% *  0.1408% (0.28   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    PHE   60  13.37 +/- 2.73   0.734% *  0.0633% (0.13   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    PHE   60  15.43 +/- 1.78   0.432% *  0.0756% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  18.89 +/- 2.49   0.232% *  0.1091% (0.22   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  10.83 +/- 1.34   1.241% *  0.0163% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  22.56 +/- 2.07   0.132% *  0.0778% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  21.52 +/- 2.28   0.152% *  0.0602% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  18.28 +/- 1.68   0.244% *  0.0349% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.01, residual support = 20.2:
      O   HA    PHE   59 - HN    PHE   60   3.47 +/- 0.16  58.347% * 98.9248% (0.99  10.0   4.02  20.22) =  99.803%  kept
          HA    ILE   56 - HN    PHE   60   5.70 +/- 0.93  17.878% *  0.5737% (0.15   1.0   0.75   4.40) =   0.177%  kept
          HA    ASP- 113 - HN    THR  118   6.85 +/- 0.72   8.404% *  0.0485% (0.48   1.0   0.02   0.02) =   0.007%
          HA    PHE   59 - HN    THR  118   8.33 +/- 0.74   4.638% *  0.0797% (0.80   1.0   0.02  11.82) =   0.006%
          HA    ASP- 113 - HN    PHE   60  11.28 +/- 2.22   3.827% *  0.0601% (0.60   1.0   0.02   0.02) =   0.004%
          HA    ILE   56 - HN    THR  118  10.79 +/- 1.30   2.202% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  21.73 +/- 2.47   0.277% *  0.0601% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  17.85 +/- 3.04   0.600% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.42 +/- 3.17   0.694% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  21.90 +/- 3.63   0.291% *  0.0485% (0.48   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  20.75 +/- 3.01   0.320% *  0.0393% (0.39   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  16.28 +/- 4.26   1.042% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  21.83 +/- 3.15   0.319% *  0.0174% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  19.17 +/- 3.00   0.445% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  21.94 +/- 2.98   0.292% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  28.65 +/- 5.09   0.167% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  32.16 +/- 5.03   0.090% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  25.56 +/- 3.45   0.168% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.92, support = 4.81, residual support = 68.2:
      O   HA    PHE   60 - HN    PHE   60   2.78 +/- 0.11  43.593% * 94.2173% (0.96  10.0   4.92  72.40) =  93.828%  kept
          QB    SER  117 - HN    THR  118   2.67 +/- 0.25  49.142% *  5.4935% (0.36   1.0   3.11   5.05) =   6.167%  kept
          HA    PHE   60 - HN    THR  118  10.59 +/- 1.51   1.120% *  0.0759% (0.77   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    THR  118   7.36 +/- 0.58   2.586% *  0.0138% (0.14   1.0   0.02   7.00) =   0.001%
          QB    SER  117 - HN    PHE   60  11.20 +/- 1.07   0.798% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    PHE   60  12.96 +/- 0.88   0.453% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  12.25 +/- 1.92   0.685% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.06 +/- 1.13   0.364% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  19.44 +/- 2.79   0.149% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.48 +/- 1.48   0.412% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  24.08 +/- 4.94   0.247% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.78 +/- 1.88   0.133% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.61 +/- 4.96   0.208% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  29.21 +/- 3.68   0.042% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  25.25 +/- 3.45   0.067% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (2.26, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.519, support = 3.44, residual support = 23.8:
          HG12  ILE  119 - HN    THR  118   4.86 +/- 0.72  11.946% * 52.0727% (0.72   4.85  50.58) =  40.571%  kept
          QG    GLU-  14 - HN    GLU-  15   3.52 +/- 0.75  28.711% * 14.7743% (0.36   2.71   1.69) =  27.667%  kept
          QG    GLU-  15 - HN    GLU-  15   3.30 +/- 0.71  32.535% * 12.4621% (0.32   2.63  10.25) =  26.445%  kept
          HG12  ILE  119 - HN    PHE   60   6.47 +/- 0.83   5.441% *  7.7563% (0.89   0.58   0.11) =   2.752%  kept
          HB3   PHE   72 - HN    PHE   60  11.04 +/- 3.36   3.616% *  4.4246% (0.96   0.31   6.56) =   1.044%  kept
          HB2   ASP-  44 - HN    PHE   60   7.84 +/- 2.46   3.771% *  4.0531% (0.89   0.30   2.14) =   0.997%  kept
          HB2   ASP- 105 - HN    THR  118   8.13 +/- 3.77   5.784% *  1.2160% (0.11   0.75   4.40) =   0.459%  kept
          HB3   PHE   72 - HN    THR  118  14.86 +/- 3.37   0.613% *  0.2312% (0.77   0.02   0.02) =   0.009%
          HB2   ASP-  44 - HN    THR  118  12.94 +/- 2.00   0.590% *  0.2149% (0.72   0.02   0.02) =   0.008%
          HB3   PHE   72 - HN    GLU-  15  14.23 +/- 4.94   0.909% *  0.1141% (0.38   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    GLU-  15  14.62 +/- 4.42   1.121% *  0.0622% (0.21   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   60  18.26 +/- 2.30   0.233% *  0.2947% (0.98   0.02   0.02) =   0.004%
          QB    MET   11 - HN    GLU-  15  10.05 +/- 1.44   1.356% *  0.0403% (0.13   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    PHE   60  19.58 +/- 2.99   0.194% *  0.2744% (0.91   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    PHE   60  19.03 +/- 2.94   0.223% *  0.2381% (0.79   0.02   0.02) =   0.003%
          HG3   MET   92 - HN    PHE   60  14.89 +/- 2.88   0.420% *  0.1222% (0.41   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    THR  118  21.37 +/- 4.34   0.264% *  0.1919% (0.64   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    THR  118  21.02 +/- 1.92   0.156% *  0.2375% (0.79   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    THR  118  16.66 +/- 1.91   0.318% *  0.0985% (0.33   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  15  19.00 +/- 3.99   0.260% *  0.1060% (0.35   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    THR  118  23.33 +/- 4.50   0.116% *  0.2212% (0.74   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    PHE   60  13.57 +/- 2.48   0.621% *  0.0402% (0.13   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    PHE   60  22.50 +/- 3.89   0.159% *  0.1564% (0.52   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR  118  25.25 +/- 4.79   0.124% *  0.1261% (0.42   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  21.72 +/- 3.73   0.134% *  0.1060% (0.35   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  28.77 +/- 3.73   0.074% *  0.1172% (0.39   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   60  26.02 +/- 3.91   0.081% *  0.1014% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    THR  118  29.86 +/- 5.01   0.053% *  0.0817% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.91 +/- 3.27   0.051% *  0.0486% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.83 +/- 3.81   0.124% *  0.0160% (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 = 0.156, support = 1.71, residual support = 8.66:
      O   QB    GLU-  15 - HN    GLU-  15   3.00 +/- 0.33  43.580% * 44.1455% (0.06  10.0   1.88  10.25) =  84.335%  kept
          HG3   PRO   58 - HN    PHE   60   6.20 +/- 0.60   5.398% * 30.6677% (0.89   1.0   0.90   0.02) =   7.257%  kept
          QB    GLU- 114 - HN    THR  118   5.32 +/- 0.88  10.615% * 15.4740% (0.48   1.0   0.83   0.11) =   7.201%  kept
          HB2   LEU  115 - HN    THR  118   5.74 +/- 0.42   6.861% *  2.4569% (0.69   1.0   0.09   0.11) =   0.739%  kept
          HB2   GLN   17 - HN    GLU-  15   5.27 +/- 1.17  15.145% *  0.2828% (0.06   1.0   0.12   0.02) =   0.188%  kept
          HB2   LEU  115 - HN    PHE   60   8.11 +/- 1.15   3.192% *  0.6625% (0.86   1.0   0.02   0.02) =   0.093%
          HG3   PRO   58 - HN    THR  118  11.26 +/- 1.84   1.088% *  0.5521% (0.72   1.0   0.02   0.02) =   0.026%
          QB    GLU- 114 - HN    PHE   60  11.13 +/- 1.24   1.059% *  0.4633% (0.60   1.0   0.02   0.02) =   0.022%
          HB    ILE   19 - HN    GLU-  15   8.83 +/- 1.17   2.107% *  0.2087% (0.27   1.0   0.02   0.02) =   0.019%
          HB2   LEU   67 - HN    PHE   60  11.38 +/- 1.95   1.118% *  0.3718% (0.48   1.0   0.02   0.02) =   0.018%
          HG2   PRO   68 - HN    THR  118  17.19 +/- 4.31   0.775% *  0.4704% (0.61   1.0   0.02   0.02) =   0.016%
          HG2   PRO   68 - HN    PHE   60  14.20 +/- 2.09   0.539% *  0.5837% (0.76   1.0   0.02   0.02) =   0.014%
          HB    ILE   19 - HN    PHE   60  15.92 +/- 2.89   0.566% *  0.5247% (0.68   1.0   0.02   0.02) =   0.013%
          HB    ILE   19 - HN    THR  118  19.60 +/- 4.07   0.541% *  0.4228% (0.55   1.0   0.02   0.02) =   0.010%
          HB    VAL   18 - HN    PHE   60  13.75 +/- 4.32   0.897% *  0.1905% (0.25   1.0   0.02   0.02) =   0.007%
          HG2   PRO   68 - HN    GLU-  15  15.22 +/- 5.54   0.667% *  0.2321% (0.30   1.0   0.02   0.02) =   0.007%
          HB2   LEU   67 - HN    THR  118  15.73 +/- 3.74   0.508% *  0.2996% (0.39   1.0   0.02   0.02) =   0.007%
          HB2   LEU   67 - HN    GLU-  15  14.49 +/- 5.50   0.884% *  0.1479% (0.19   1.0   0.02   0.02) =   0.006%
          HB    VAL   18 - HN    GLU-  15   9.72 +/- 0.94   1.493% *  0.0757% (0.10   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  25 - HN    THR  118  27.05 +/- 5.65   0.489% *  0.1711% (0.22   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    GLU-  15  18.14 +/- 3.82   0.526% *  0.0845% (0.11   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    THR  118  19.07 +/- 4.47   0.285% *  0.1535% (0.20   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    PHE   60  17.35 +/- 3.32   0.326% *  0.1179% (0.15   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    THR  118  21.74 +/- 5.10   0.394% *  0.0950% (0.12   1.0   0.02   0.02) =   0.002%
          HB2   LEU  115 - HN    GLU-  15  25.27 +/- 4.25   0.125% *  0.2635% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    PHE   60  23.42 +/- 3.83   0.143% *  0.2124% (0.28   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  25.05 +/- 4.95   0.163% *  0.1842% (0.24   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLU-  15  24.76 +/- 3.89   0.094% *  0.2724% (0.35   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    PHE   60  19.15 +/- 2.98   0.217% *  0.1179% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    THR  118  22.14 +/- 4.48   0.205% *  0.0950% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.101, support = 2.08, residual support = 4.28:
          QG1   ILE   56 - HN    PHE   60   3.58 +/- 0.94  48.768% * 44.8133% (0.09   2.15   4.40) =  96.726%  kept
          HB2   LEU   73 - HN    PHE   60  13.77 +/- 4.14   8.581% *  2.0290% (0.45   0.02   1.63) =   0.771%  kept
          HG3   PRO   93 - HN    PHE   60  10.53 +/- 3.33   4.762% *  1.6067% (0.36   0.02   0.02) =   0.339%  kept
          HB2   LEU   73 - HN    GLU-  15  15.32 +/- 5.81   1.747% *  4.3474% (0.97   0.02   0.02) =   0.336%  kept
          HD2   LYS+ 111 - HN    THR  118  11.19 +/- 1.79   3.588% *  1.1645% (0.26   0.02   0.02) =   0.185%  kept
          HB2   LEU  123 - HN    THR  118   8.82 +/- 0.28   4.310% *  0.9513% (0.21   0.02   0.02) =   0.181%  kept
          HB3   MET   92 - HN    PHE   60  14.00 +/- 2.53   1.664% *  2.1024% (0.47   0.02   0.02) =   0.155%  kept
          QD    LYS+  99 - HN    GLU-  15  17.55 +/- 2.80   0.926% *  3.6071% (0.80   0.02   0.02) =   0.148%  kept
          QD    LYS+ 106 - HN    THR  118  11.40 +/- 3.51   3.251% *  0.9924% (0.22   0.02   3.12) =   0.143%  kept
          HB2   LEU  123 - HN    PHE   60  12.90 +/- 1.42   1.499% *  1.6835% (0.37   0.02   0.02) =   0.112%  kept
          HD2   LYS+ 111 - HN    PHE   60  14.82 +/- 2.63   1.170% *  2.0608% (0.46   0.02   0.02) =   0.107%  kept
          QD    LYS+ 106 - HN    PHE   60  15.01 +/- 1.97   1.149% *  1.7561% (0.39   0.02   0.02) =   0.089%
          QG1   ILE   56 - HN    THR  118   8.24 +/- 0.94   7.389% *  0.2351% (0.05   0.02   0.02) =   0.077%
          HB2   LEU   73 - HN    THR  118  18.27 +/- 4.58   1.384% *  1.1466% (0.25   0.02   0.02) =   0.070%
          QD    LYS+  99 - HN    THR  118  14.25 +/- 3.37   1.501% *  0.9513% (0.21   0.02   0.02) =   0.063%
          HG3   PRO   93 - HN    THR  118  13.60 +/- 1.96   1.568% *  0.9079% (0.20   0.02   0.02) =   0.063%
          QD    LYS+  99 - HN    PHE   60  16.21 +/- 3.58   0.845% *  1.6835% (0.37   0.02   0.02) =   0.063%
          QD    LYS+  38 - HN    GLU-  15  16.14 +/- 4.13   1.287% *  1.0029% (0.22   0.02   0.02) =   0.057%
          HB2   LEU  123 - HN    GLU-  15  23.44 +/- 4.47   0.289% *  3.6071% (0.80   0.02   0.02) =   0.046%
          HB3   MET   92 - HN    THR  118  15.49 +/- 2.01   0.873% *  1.1881% (0.26   0.02   0.02) =   0.046%
          QD    LYS+ 106 - HN    GLU-  15  23.44 +/- 4.23   0.270% *  3.7627% (0.84   0.02   0.02) =   0.045%
          QD    LYS+ 102 - HN    GLU-  15  22.53 +/- 3.96   0.344% *  2.5504% (0.57   0.02   0.02) =   0.039%
          QD    LYS+ 102 - HN    THR  118  17.21 +/- 3.53   0.928% *  0.6726% (0.15   0.02   0.02) =   0.028%
          HB3   MET   92 - HN    GLU-  15  29.26 +/- 3.11   0.127% *  4.5048% (1.00   0.02   0.02) =   0.025%
          HG3   PRO   93 - HN    GLU-  15  27.33 +/- 3.91   0.162% *  3.4427% (0.76   0.02   0.02) =   0.025%
          QD    LYS+ 102 - HN    PHE   60  20.08 +/- 2.20   0.404% *  1.1903% (0.26   0.02   0.02) =   0.021%
          HD2   LYS+ 111 - HN    GLU-  15  32.03 +/- 5.29   0.087% *  4.4156% (0.98   0.02   0.02) =   0.017%
          QG1   ILE   56 - HN    GLU-  15  21.41 +/- 3.21   0.268% *  0.8915% (0.20   0.02   0.02) =   0.011%
          QD    LYS+  38 - HN    PHE   60  20.76 +/- 3.30   0.368% *  0.4681% (0.10   0.02   0.02) =   0.008%
          QD    LYS+  38 - HN    THR  118  20.32 +/- 3.02   0.489% *  0.2645% (0.06   0.02   0.02) =   0.006%
    Distance limit 4.36 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.249, support = 2.62, residual support = 40.5:
          QB    ALA   61 - HN    PHE   60   4.36 +/- 0.24  32.104% * 72.7394% (0.25   2.69  41.41) =  97.676%  kept
          HG12  ILE   19 - HN    GLU-  15   7.99 +/- 1.99   8.293% *  1.8426% (0.84   0.02   0.02) =   0.639%  kept
          HD3   LYS+ 121 - HN    THR  118   7.06 +/- 1.65  12.574% *  0.5371% (0.24   0.02   7.00) =   0.282%  kept
          QB    ALA   12 - HN    GLU-  15   7.57 +/- 1.04   7.767% *  0.8279% (0.38   0.02   0.02) =   0.269%  kept
          HB3   LYS+  74 - HN    PHE   60  12.47 +/- 3.68   4.130% *  0.9234% (0.42   0.02   0.02) =   0.160%  kept
          HB3   LEU   67 - HN    GLU-  15  14.17 +/- 5.72   3.328% *  0.8279% (0.38   0.02   0.02) =   0.115%  kept
          HB3   LYS+  74 - HN    GLU-  15  15.64 +/- 5.21   1.297% *  1.9784% (0.90   0.02   0.02) =   0.107%  kept
          QB    ALA  110 - HN    PHE   60  11.73 +/- 2.55   2.978% *  0.7868% (0.36   0.02   0.02) =   0.098%
          HD3   LYS+ 121 - HN    GLU-  15  23.58 +/- 5.45   0.846% *  2.0364% (0.92   0.02   0.02) =   0.072%
          QB    ALA  110 - HN    THR  118  10.02 +/- 1.05   3.134% *  0.4446% (0.20   0.02   0.02) =   0.058%
          QB    ALA   61 - HN    GLU-  15  15.73 +/- 3.26   0.994% *  1.1606% (0.53   0.02   0.02) =   0.048%
          HG12  ILE   19 - HN    PHE   60  16.23 +/- 2.60   1.297% *  0.8600% (0.39   0.02   0.02) =   0.047%
          HD3   LYS+ 121 - HN    PHE   60  14.02 +/- 1.16   1.092% *  0.9504% (0.43   0.02   0.02) =   0.043%
          HB3   LEU   67 - HN    PHE   60  11.76 +/- 2.10   2.330% *  0.3864% (0.18   0.02   0.02) =   0.038%
          QG    LYS+  66 - HN    PHE   60   9.77 +/- 1.41   3.921% *  0.2292% (0.10   0.02   0.02) =   0.038%
          QB    LEU   98 - HN    GLU-  15  18.18 +/- 2.96   0.583% *  1.4271% (0.65   0.02   0.02) =   0.035%
          QB    LEU   98 - HN    PHE   60  14.89 +/- 2.04   1.102% *  0.6660% (0.30   0.02   0.02) =   0.031%
          QB    ALA   61 - HN    THR  118  11.40 +/- 1.46   2.227% *  0.3061% (0.14   0.02   0.02) =   0.029%
          QG    LYS+  66 - HN    GLU-  15  15.20 +/- 4.30   1.188% *  0.4911% (0.22   0.02   0.02) =   0.024%
          HB2   LEU   80 - HN    PHE   60  19.05 +/- 4.08   0.570% *  1.0205% (0.46   0.02   0.02) =   0.024%
          HB2   LEU   80 - HN    GLU-  15  25.11 +/- 6.57   0.244% *  2.1865% (0.99   0.02   0.02) =   0.022%
          QB    LEU   98 - HN    THR  118  13.67 +/- 2.63   1.288% *  0.3764% (0.17   0.02   0.02) =   0.020%
          HG12  ILE   19 - HN    THR  118  19.73 +/- 4.23   0.945% *  0.4860% (0.22   0.02   0.02) =   0.019%
          HG    LEU   80 - HN    GLU-  15  24.94 +/- 7.24   0.282% *  1.6019% (0.73   0.02   0.02) =   0.019%
          HG    LEU   80 - HN    PHE   60  19.99 +/- 4.22   0.558% *  0.7476% (0.34   0.02   0.02) =   0.017%
          QB    ALA  110 - HN    GLU-  15  25.84 +/- 3.72   0.211% *  1.6859% (0.76   0.02   0.02) =   0.015%
          HB3   LYS+  74 - HN    THR  118  18.68 +/- 3.38   0.626% *  0.5218% (0.24   0.02   0.02) =   0.014%
          HB3   LEU   67 - HN    THR  118  15.92 +/- 4.02   1.147% *  0.2184% (0.10   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    THR  118  13.81 +/- 2.77   1.672% *  0.1295% (0.06   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    THR  118  23.13 +/- 3.67   0.274% *  0.5767% (0.26   0.02   0.02) =   0.007%
          QB    ALA   12 - HN    PHE   60  22.32 +/- 3.86   0.408% *  0.3864% (0.18   0.02   0.02) =   0.007%
          HG    LEU   80 - HN    THR  118  24.02 +/- 4.09   0.266% *  0.4225% (0.19   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    THR  118  25.77 +/- 4.75   0.325% *  0.2184% (0.10   0.02   0.02) =   0.003%
    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   2.04 +/- 0.08  82.867% * 97.8458% (0.89  10.0   3.69  25.07) =  99.889%  kept
          QG2   THR   77 - HN    LEU   80   5.90 +/- 1.11   5.721% *  1.4633% (0.20   1.0   1.35   0.59) =   0.103%  kept
          QG2   THR   23 - HN    LEU   80  12.62 +/- 6.87   2.674% *  0.0969% (0.89   1.0   0.02   0.86) =   0.003%
          QG2   THR   39 - HN    ALA   34   6.26 +/- 1.51   5.238% *  0.0303% (0.28   1.0   0.02   4.96) =   0.002%
          HG3   LYS+  38 - HN    ALA   34   9.37 +/- 0.79   0.929% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.60 +/- 1.51   0.440% *  0.1081% (0.99   1.0   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    LEU   80   9.91 +/- 1.93   1.106% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  15.22 +/- 3.15   0.303% *  0.0710% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.66 +/- 3.31   0.204% *  0.0876% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.64 +/- 2.38   0.121% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.45 +/- 2.50   0.139% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.53 +/- 2.02   0.147% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.27 +/- 2.90   0.045% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  22.22 +/- 1.76   0.068% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.561, support = 3.54, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.74 +/- 0.03  71.717% * 75.4163% (0.56  10.0   3.49  25.07) =  95.246%  kept
          HA    LYS+  81 - HN    LEU   80   4.68 +/- 0.36  15.278% * 15.6803% (0.47   1.0   5.00  39.67) =   4.219%  kept
          HA    GLU-  36 - HN    ALA   34   7.01 +/- 0.05   4.297% *  4.3447% (0.41   1.0   1.59   0.30) =   0.329%  kept
          HA    ASN   28 - HN    ALA   34   7.72 +/- 0.33   3.277% *  3.4592% (0.76   1.0   0.68   0.02) =   0.200%  kept
          HA1   GLY  101 - HN    ALA   34  10.56 +/- 3.37   2.544% *  0.0500% (0.37   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  16.31 +/- 7.06   0.848% *  0.0912% (0.68   1.0   0.02   1.27) =   0.001%
          HA    ARG+  54 - HN    LEU   80  18.51 +/- 2.75   0.309% *  0.1169% (0.88   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   34  22.25 +/- 5.03   0.203% *  0.1230% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  21.13 +/- 3.02   0.251% *  0.0967% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.97 +/- 4.14   0.136% *  0.1306% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.62 +/- 2.33   0.197% *  0.0866% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.46 +/- 3.86   0.188% *  0.0675% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  23.83 +/- 4.47   0.141% *  0.0701% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.95 +/- 3.86   0.200% *  0.0448% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.09 +/- 3.74   0.059% *  0.1101% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  24.57 +/- 3.42   0.150% *  0.0332% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  26.62 +/- 3.77   0.091% *  0.0491% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.19 +/- 2.26   0.116% *  0.0298% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.961, support = 7.08, residual support = 38.2:
      O   HA    LYS+  33 - HN    ALA   34   3.58 +/- 0.03  40.409% * 81.0405% (0.99  10.0   7.34  41.04) =  92.915%  kept
          HA    GLN   32 - HN    ALA   34   4.41 +/- 0.34  22.380% *  6.5377% (0.34   1.0   4.69   0.64) =   4.151%  kept
          HA    GLU-  29 - HN    ALA   34   6.43 +/- 0.88   9.473% *  9.6396% (0.99   1.0   2.38   0.68) =   2.591%  kept
          HB2   SER   82 - HN    LEU   80   7.04 +/- 0.67   5.856% *  1.9245% (0.85   1.0   0.56   0.50) =   0.320%  kept
          HA    VAL   70 - HN    ALA   34  11.15 +/- 2.63   4.551% *  0.0655% (0.80   1.0   0.02   0.02) =   0.008%
          HB2   SER   37 - HN    ALA   34   6.06 +/- 0.88   9.919% *  0.0143% (0.17   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    ALA   34  12.88 +/- 2.41   1.029% *  0.0801% (0.98   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    LEU   80  11.67 +/- 2.53   1.688% *  0.0444% (0.54   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    LEU   80  11.64 +/- 0.98   1.272% *  0.0275% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  20.01 +/- 6.79   0.428% *  0.0726% (0.89   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    LEU   80  19.79 +/- 7.51   0.423% *  0.0718% (0.88   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  22.84 +/- 7.23   0.296% *  0.0773% (0.94   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  22.55 +/- 3.28   0.262% *  0.0655% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  19.96 +/- 1.86   0.254% *  0.0586% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  23.25 +/- 4.99   0.202% *  0.0726% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  23.14 +/- 2.83   0.176% *  0.0586% (0.72   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.13 +/- 3.14   0.597% *  0.0145% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.75 +/- 3.30   0.134% *  0.0496% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  21.86 +/- 5.49   0.267% *  0.0250% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  27.17 +/- 5.09   0.123% *  0.0307% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.42 +/- 3.07   0.167% *  0.0128% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.66 +/- 2.12   0.096% *  0.0162% (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 = 0.755, support = 5.54, residual support = 39.6:
          HG3   LYS+  33 - HN    ALA   34   2.92 +/- 0.68  59.457% * 81.7921% (0.76   5.70  41.04) =  96.564%  kept
          QB    ALA   84 - HN    LEU   80   5.33 +/- 0.69  16.004% * 10.0629% (0.54   0.99   0.02) =   3.198%  kept
          HB    VAL   42 - HN    ALA   34  11.68 +/- 1.55   3.326% *  2.3270% (0.83   0.15   0.02) =   0.154%  kept
          HG3   LYS+ 102 - HN    ALA   34  13.10 +/- 3.35   1.920% *  0.3464% (0.92   0.02   0.02) =   0.013%
          HB3   LEU   73 - HN    ALA   34  12.10 +/- 2.88   1.716% *  0.3366% (0.89   0.02   0.02) =   0.011%
          HB3   LEU   73 - HN    LEU   80  12.53 +/- 2.79   1.659% *  0.3015% (0.80   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    ALA   34  10.83 +/- 2.40   2.368% *  0.1827% (0.49   0.02   0.02) =   0.009%
          QB    LEU   98 - HN    ALA   34   9.51 +/- 2.09   3.516% *  0.0657% (0.17   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HN    ALA   34  16.92 +/- 1.80   0.484% *  0.3745% (1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LEU   80  14.53 +/- 2.18   0.744% *  0.2175% (0.58   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LEU   80  16.72 +/- 2.19   0.498% *  0.2808% (0.75   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LEU   80  18.43 +/- 3.28   0.387% *  0.3354% (0.89   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    ALA   34  14.81 +/- 3.42   0.847% *  0.1409% (0.37   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    ALA   34  19.30 +/- 2.12   0.375% *  0.3135% (0.83   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   80  21.98 +/- 4.28   0.360% *  0.3103% (0.82   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LEU   80  17.91 +/- 3.65   0.397% *  0.2808% (0.75   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   80  12.30 +/- 1.92   1.314% *  0.0838% (0.22   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   80  17.69 +/- 3.97   0.613% *  0.1636% (0.44   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    LEU   80  21.23 +/- 5.03   0.339% *  0.2569% (0.68   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    ALA   34  20.30 +/- 3.72   0.330% *  0.2276% (0.61   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   80  22.16 +/- 2.90   0.200% *  0.3244% (0.86   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  26.35 +/- 3.96   0.150% *  0.3622% (0.96   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ALA   34  18.99 +/- 4.50   0.382% *  0.1409% (0.37   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   34  16.98 +/- 1.55   0.507% *  0.0936% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  22.90 +/- 1.80   0.181% *  0.2428% (0.65   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   80  15.70 +/- 2.62   0.631% *  0.0589% (0.16   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  17.43 +/- 2.36   0.488% *  0.0657% (0.17   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  23.76 +/- 4.84   0.219% *  0.1262% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  18.20 +/- 2.69   0.453% *  0.0589% (0.16   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   80  26.63 +/- 3.17   0.135% *  0.1262% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.729, support = 5.37, residual support = 37.7:
          QB    LYS+  33 - HN    ALA   34   3.27 +/- 0.30  54.766% * 43.5162% (0.72   5.93  41.04) =  73.403%  kept
          QB    LYS+  81 - HN    LEU   80   5.14 +/- 0.48  16.380% * 34.7541% (0.78   4.42  39.67) =  17.533%  kept
          HB3   GLN   30 - HN    ALA   34   5.41 +/- 0.76  15.579% * 18.7753% (0.69   2.70   7.15) =   9.009%  kept
          HB3   LYS+  38 - HN    ALA   34   9.27 +/- 0.49   2.588% *  0.1754% (0.87   0.02   0.02) =   0.014%
          HB3   GLN   90 - HN    LEU   80  12.20 +/- 1.89   1.420% *  0.1450% (0.72   0.02   0.02) =   0.006%
          QB    LYS+ 106 - HN    LEU   80  16.40 +/- 2.52   0.769% *  0.1624% (0.80   0.02   0.02) =   0.004%
          HB2   MET   92 - HN    LEU   80  13.41 +/- 2.48   1.268% *  0.0953% (0.47   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    LEU   80  16.80 +/- 5.93   0.810% *  0.1244% (0.61   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   34  14.43 +/- 2.33   0.882% *  0.1064% (0.52   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  16.52 +/- 1.35   0.484% *  0.1813% (0.89   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    ALA   34  15.73 +/- 2.08   0.605% *  0.1226% (0.61   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ALA   34  17.59 +/- 3.20   0.718% *  0.0984% (0.49   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  19.39 +/- 3.25   0.330% *  0.1748% (0.86   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  19.68 +/- 4.82   0.378% *  0.1315% (0.65   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    ALA   34  23.69 +/- 3.57   0.246% *  0.1951% (0.96   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   34  22.11 +/- 4.19   0.234% *  0.1754% (0.87   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  23.61 +/- 4.25   0.575% *  0.0690% (0.34   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LEU   80  19.06 +/- 3.45   0.385% *  0.0953% (0.47   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    LEU   80  19.08 +/- 2.83   0.341% *  0.1025% (0.51   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  21.09 +/- 3.35   0.279% *  0.1098% (0.54   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.83 +/- 3.04   0.264% *  0.0882% (0.44   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  25.73 +/- 2.84   0.125% *  0.1571% (0.78   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.40 +/- 4.22   0.152% *  0.1145% (0.56   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  28.63 +/- 2.89   0.092% *  0.1619% (0.80   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.70 +/- 1.93   0.123% *  0.1064% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.05 +/- 3.48   0.208% *  0.0618% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 7.13, residual support = 78.4:
      O   HA    LEU   80 - HN    LEU   80   2.79 +/- 0.24  70.168% * 73.7945% (0.50  10.0   7.49  85.08) =  91.476%  kept
          HA    ASP-  78 - HN    LEU   80   4.71 +/- 0.99  19.846% * 23.7817% (0.94   1.0   3.40   6.34) =   8.338%  kept
          HA    THR   23 - HN    LEU   80  13.11 +/- 8.90   5.118% *  2.0020% (0.85   1.0   0.32   0.86) =   0.181%  kept
          HB    THR   23 - HN    LEU   80  14.96 +/- 8.51   2.587% *  0.0526% (0.36   1.0   0.02   0.86) =   0.002%
          HA    THR   23 - HN    ALA   34  14.69 +/- 1.12   0.533% *  0.1040% (0.70   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  14.36 +/- 1.25   0.606% *  0.0435% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  21.08 +/- 5.88   0.272% *  0.0610% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.54 +/- 2.85   0.138% *  0.1157% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  16.71 +/- 2.14   0.516% *  0.0203% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  21.29 +/- 3.08   0.215% *  0.0246% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.755, support = 5.56, residual support = 48.5:
      O   HA    GLU-  79 - HN    LEU   80   3.52 +/- 0.23  66.244% * 96.4508% (0.76  10.0   5.59  48.75) =  99.398%  kept
          HB    THR   77 - HN    LEU   80   6.59 +/- 1.44  15.025% *  2.5006% (0.29   1.0   1.35   0.59) =   0.584%  kept
          HA    THR   39 - HN    ALA   34   8.32 +/- 0.66   5.484% *  0.0864% (0.68   1.0   0.02   4.96) =   0.007%
          HA    SER   85 - HN    LEU   80  10.43 +/- 0.74   2.833% *  0.0372% (0.29   1.0   0.02   0.02) =   0.002%
          HA    ILE  103 - HN    ALA   34  12.30 +/- 2.17   2.386% *  0.0409% (0.32   1.0   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    LEU   80  19.04 +/- 4.92   0.737% *  0.1181% (0.93   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    LEU   80  17.73 +/- 2.66   0.656% *  0.1139% (0.89   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   80  12.21 +/- 1.67   1.950% *  0.0300% (0.24   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  22.72 +/- 3.44   0.547% *  0.0976% (0.77   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    LEU   80  18.56 +/- 3.50   0.720% *  0.0495% (0.39   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   34  21.24 +/- 3.63   0.379% *  0.0797% (0.63   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  22.75 +/- 2.39   0.277% *  0.1045% (0.82   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.65 +/- 1.37   0.682% *  0.0248% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  18.92 +/- 3.67   0.716% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.55 +/- 2.47   0.128% *  0.0942% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  23.72 +/- 3.40   0.361% *  0.0277% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.95 +/- 2.66   0.312% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  26.73 +/- 5.42   0.207% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  26.24 +/- 2.47   0.180% *  0.0335% (0.26   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  29.77 +/- 6.47   0.178% *  0.0268% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.782, support = 5.35, residual support = 42.8:
          HB3   GLU-  79 - HN    LEU   80   3.28 +/- 0.72  58.797% * 57.3962% (0.79   5.87  48.75) =  87.581%  kept
          QB    GLU-  36 - HN    ALA   34   5.21 +/- 0.18  17.986% * 13.4466% (0.70   1.55   0.30) =   6.277%  kept
          HB3   GLU-  29 - HN    ALA   34   7.15 +/- 1.23  11.478% * 16.8146% (0.78   1.74   0.68) =   5.009%  kept
          HG3   GLU-  29 - HN    ALA   34   9.20 +/- 1.03   3.868% * 11.0327% (0.60   1.49   0.68) =   1.107%  kept
          HB2   GLN   90 - HN    LEU   80  12.12 +/- 1.63   1.873% *  0.2160% (0.87   0.02   0.02) =   0.010%
          HB2   LYS+  38 - HN    ALA   34   8.76 +/- 0.47   3.943% *  0.0597% (0.24   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    LEU   80  20.55 +/- 6.87   0.507% *  0.2334% (0.94   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    LEU   80  19.88 +/- 7.42   0.606% *  0.1788% (0.72   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   34  19.97 +/- 3.98   0.412% *  0.1616% (0.65   0.02   0.02) =   0.002%
          QB    GLU-  36 - HN    LEU   80  22.82 +/- 3.73   0.253% *  0.2098% (0.85   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  28.72 +/- 3.07   0.117% *  0.1786% (0.72   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   80  26.27 +/- 2.86   0.161% *  0.0722% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.49, residual support = 20.1:
        T HN    ASN   35 - HN    ALA   34   2.75 +/- 0.07  97.285% * 98.7794% (0.80 10.00   4.49  20.15) =  99.996%  kept
        T HN    ASN   35 - HN    LEU   80  22.56 +/- 4.29   0.235% *  0.8847% (0.72 10.00   0.02   0.02) =   0.002%
          HN    ALA   12 - HN    ALA   34  17.89 +/- 3.86   0.675% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    ALA   34  14.70 +/- 0.93   0.657% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.86 +/- 5.90   0.126% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.28 +/- 2.71   0.553% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  23.32 +/- 3.16   0.239% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.49 +/- 2.23   0.230% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.889, support = 5.33, residual support = 39.6:
          HN    LYS+  81 - HN    LEU   80   3.49 +/- 0.52  78.098% * 95.0021% (0.89   5.34  39.67) =  99.687%  kept
          HE3   TRP   27 - HN    LEU   80  13.65 +/- 6.86   5.797% *  3.5438% (0.20   0.89   6.92) =   0.276%  kept
          QD    PHE   60 - HN    ALA   34  16.18 +/- 3.02   3.670% *  0.3185% (0.80   0.02   0.02) =   0.016%
          HE3   TRP   27 - HN    ALA   34   8.45 +/- 1.32   7.741% *  0.0886% (0.22   0.02   0.02) =   0.009%
          QD    PHE   60 - HN    LEU   80  14.99 +/- 4.12   1.714% *  0.2853% (0.72   0.02   0.02) =   0.007%
          HN    LYS+  81 - HN    ALA   34  22.90 +/- 5.12   0.390% *  0.3969% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    ALA   34  17.93 +/- 1.87   0.832% *  0.1228% (0.31   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    LEU   80  18.85 +/- 2.41   0.703% *  0.1100% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    LEU   80  19.17 +/- 3.09   0.670% *  0.0624% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  24.67 +/- 3.13   0.385% *  0.0697% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.768, support = 3.33, residual support = 6.33:
          HA    GLN   30 - HN    ALA   34   3.99 +/- 1.09  43.790% * 58.6041% (0.80   3.74   7.15) =  83.928%  kept
          HB    THR   39 - HN    ALA   34   7.23 +/- 1.51  10.703% * 17.7942% (0.61   1.50   4.96) =   6.229%  kept
          HB3   SER   37 - HN    ALA   34   6.29 +/- 1.00  13.918% * 11.7576% (0.45   1.34   0.02) =   5.352%  kept
          HB3   SER   82 - HN    LEU   80   6.49 +/- 0.63  14.878% *  8.9848% (0.82   0.56   0.50) =   4.372%  kept
          QB    SER   13 - HN    ALA   34  14.21 +/- 4.05   7.939% *  0.2530% (0.65   0.02   0.02) =   0.066%
          HA    ILE   89 - HN    LEU   80  11.79 +/- 1.22   2.304% *  0.1571% (0.40   0.02   0.02) =   0.012%
          HD3   PRO   52 - HN    LEU   80  17.13 +/- 3.27   0.943% *  0.3039% (0.78   0.02   0.02) =   0.009%
          HA    GLN   30 - HN    LEU   80  19.14 +/- 5.95   0.843% *  0.2805% (0.72   0.02   0.02) =   0.008%
          HB3   SER   82 - HN    ALA   34  22.71 +/- 7.21   0.556% *  0.3611% (0.92   0.02   0.02) =   0.007%
          HB2   CYS   53 - HN    LEU   80  15.57 +/- 2.78   1.125% *  0.1315% (0.34   0.02   0.02) =   0.005%
          QB    SER   13 - HN    LEU   80  24.26 +/- 4.61   0.312% *  0.2266% (0.58   0.02   0.02) =   0.002%
          HB    THR   39 - HN    LEU   80  21.85 +/- 2.53   0.318% *  0.2125% (0.54   0.02   0.02) =   0.002%
          HB    THR  118 - HN    ALA   34  19.88 +/- 3.49   1.069% *  0.0604% (0.15   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    ALA   34  29.00 +/- 2.26   0.166% *  0.3393% (0.87   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    LEU   80  24.21 +/- 3.19   0.257% *  0.1571% (0.40   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ALA   34  25.11 +/- 2.52   0.273% *  0.1468% (0.37   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    ALA   34  26.22 +/- 3.86   0.224% *  0.1754% (0.45   0.02   0.02) =   0.001%
          HB    THR  118 - HN    LEU   80  21.66 +/- 2.52   0.378% *  0.0541% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.742, support = 3.12, residual support = 11.3:
          HA    LEU   31 - HN    ALA   34   3.36 +/- 0.57  61.567% * 91.8161% (0.76   3.25  11.78) =  95.309%  kept
          HA    THR   77 - HN    LEU   80   4.73 +/- 1.50  37.549% *  7.4000% (0.34   0.60   0.59) =   4.685%  kept
          HA    LEU   31 - HN    LEU   80  18.55 +/- 5.00   0.569% *  0.5063% (0.68   0.02   0.02) =   0.005%
          HA    THR   77 - HN    ALA   34  20.31 +/- 3.08   0.316% *  0.2776% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.394, support = 3.3, residual support = 6.25:
          HA    ASP-  78 - HN    LEU   80   4.71 +/- 0.99  53.566% * 86.4222% (0.40   3.40   6.34) =  96.748%  kept
          HA    THR   23 - HN    LEU   80  13.11 +/- 8.90  23.995% *  3.5728% (0.18   0.32   0.86) =   1.792%  kept
          HA    VAL   41 - HN    ALA   34   8.78 +/- 1.54   8.210% *  7.3387% (0.17   0.66   8.41) =   1.259%  kept
          HA    PHE   45 - HN    LEU   80   8.60 +/- 1.60  10.385% *  0.7792% (0.61   0.02   0.02) =   0.169%  kept
          HA    PHE   45 - HN    ALA   34  18.67 +/- 1.92   0.785% *  0.8700% (0.69   0.02   0.02) =   0.014%
          HA    THR   23 - HN    ALA   34  14.69 +/- 1.12   1.549% *  0.2506% (0.20   0.02   0.02) =   0.008%
          HA    ASP-  78 - HN    ALA   34  23.54 +/- 2.85   0.403% *  0.5678% (0.45   0.02   0.02) =   0.005%
          HA    VAL   41 - HN    LEU   80  17.03 +/- 2.14   1.107% *  0.1987% (0.16   0.02   0.02) =   0.005%
    Distance limit 4.12 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.705, support = 4.23, residual support = 18.5:
          QE    LYS+  33 - HN    ALA   34   4.47 +/- 0.81  34.198% * 30.1398% (0.52   5.13  41.04) =  38.744%  kept
          HB2   ASP-  78 - HN    LEU   80   5.24 +/- 1.00  22.794% * 41.8585% (0.88   4.27   6.34) =  35.865%  kept
          HB2   ASP-  76 - HN    LEU   80   4.87 +/- 1.00  27.892% * 23.7607% (0.75   2.84   1.31) =  24.912%  kept
          HB2   ASN   28 - HN    ALA   34   9.35 +/- 0.68   3.688% *  3.1646% (0.41   0.69   0.02) =   0.439%  kept
          HB2   ASN   69 - HN    ALA   34  14.08 +/- 3.50   3.134% *  0.1623% (0.72   0.02   0.02) =   0.019%
          HB2   ASN   28 - HN    LEU   80  17.32 +/- 7.62   1.377% *  0.0823% (0.37   0.02   1.27) =   0.004%
          HB2   ASP-  86 - HN    LEU   80   9.44 +/- 1.06   3.612% *  0.0271% (0.12   0.02   0.02) =   0.004%
          HB2   ASP-  76 - HN    ALA   34  19.32 +/- 3.05   0.486% *  0.1867% (0.83   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HN    ALA   34  23.23 +/- 2.76   0.271% *  0.2191% (0.98   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    LEU   80  19.95 +/- 4.90   0.513% *  0.1053% (0.47   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    LEU   80  16.71 +/- 3.76   0.751% *  0.0557% (0.25   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  23.26 +/- 2.90   0.273% *  0.1454% (0.65   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ALA   34  18.73 +/- 2.39   0.524% *  0.0622% (0.28   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  22.77 +/- 7.02   0.488% *  0.0303% (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 = 48.2:
          HB2   GLU-  79 - HN    LEU   80   2.84 +/- 0.48  84.591% * 86.6768% (0.44   5.68  48.75) =  98.859%  kept
          HG3   GLU-  36 - HN    ALA   34   6.96 +/- 0.98   9.318% *  8.8174% (0.34   0.74   0.30) =   1.108%  kept
          HG3   GLU-  25 - HN    LEU   80  18.23 +/- 8.44   0.937% *  0.6150% (0.88   0.02   0.02) =   0.008%
          HG3   GLU-  25 - HN    ALA   34  14.47 +/- 1.29   0.812% *  0.6866% (0.98   0.02   0.02) =   0.008%
          HG2   PRO   52 - HN    LEU   80  16.39 +/- 3.97   0.778% *  0.5442% (0.78   0.02   0.02) =   0.006%
          HG2   MET   92 - HN    LEU   80  13.38 +/- 2.67   1.485% *  0.2140% (0.30   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HN    ALA   34  19.54 +/- 4.05   0.363% *  0.3410% (0.49   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    ALA   34  23.35 +/- 3.94   0.390% *  0.2629% (0.37   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  21.45 +/- 2.82   0.323% *  0.2880% (0.41   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    LEU   80  19.86 +/- 2.63   0.351% *  0.2579% (0.37   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  27.35 +/- 2.57   0.126% *  0.6076% (0.87   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    LEU   80  22.58 +/- 3.04   0.236% *  0.2355% (0.34   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.98 +/- 1.88   0.147% *  0.2389% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  26.39 +/- 3.73   0.142% *  0.2140% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.738, support = 5.31, residual support = 41.6:
          HB3   GLU-  79 - HN    LEU   80   3.28 +/- 0.72  42.884% * 59.0801% (0.78   5.87  48.75) =  85.138%  kept
          QB    GLU-  36 - HN    ALA   34   5.21 +/- 0.18  12.650% * 16.0689% (0.80   1.55   0.30) =   6.831%  kept
          QB    GLN   32 - HN    ALA   34   4.73 +/- 0.14  16.822% *  7.5001% (0.17   3.31   0.64) =   4.240%  kept
          HB3   GLU-  29 - HN    ALA   34   7.15 +/- 1.23   8.112% * 10.9788% (0.49   1.74   0.68) =   2.993%  kept
          HB    VAL   24 - HN    LEU   80  12.32 +/- 8.99   6.975% *  1.9359% (0.20   0.75   5.26) =   0.454%  kept
          HG3   GLU-  29 - HN    ALA   34   9.20 +/- 1.03   2.717% *  3.3839% (0.17   1.49   0.68) =   0.309%  kept
          HG3   GLU- 100 - HN    ALA   34  10.18 +/- 2.97   5.896% *  0.1260% (0.49   0.02   0.02) =   0.025%
          HB2   GLN   90 - HN    LEU   80  12.12 +/- 1.63   1.331% *  0.0716% (0.28   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   34  19.97 +/- 3.98   0.291% *  0.2246% (0.87   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    LEU   80  20.55 +/- 6.87   0.356% *  0.1129% (0.44   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    ALA   34  14.35 +/- 0.68   0.632% *  0.0576% (0.22   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  22.82 +/- 3.73   0.178% *  0.1857% (0.72   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    LEU   80  24.62 +/- 3.98   0.228% *  0.1129% (0.44   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  19.88 +/- 7.42   0.424% *  0.0406% (0.16   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    LEU   80  19.28 +/- 5.57   0.421% *  0.0406% (0.16   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  28.72 +/- 3.07   0.083% *  0.0799% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.691, support = 0.154, residual support = 0.296:
          QG1   VAL   75 - HN    LEU   80   6.41 +/- 1.30  74.065% * 68.6753% (0.68   0.16   0.31) =  94.957%  kept
          QD1   LEU  115 - HN    ALA   34  18.29 +/- 2.91   9.113% * 11.5014% (0.92   0.02   0.02) =   1.957%  kept
          QG1   VAL   75 - HN    ALA   34  13.86 +/- 2.58  10.213% *  9.5218% (0.76   0.02   0.02) =   1.815%  kept
          QD1   LEU  115 - HN    LEU   80  16.11 +/- 2.23   6.609% * 10.3015% (0.82   0.02   0.02) =   1.271%  kept
    Distance limit 4.69 A violated in 9 structures by 1.68 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.327, support = 6.45, residual support = 81.2:
          QD2   LEU   80 - HN    LEU   80   3.56 +/- 0.61  34.074% * 54.9570% (0.40   6.37  85.08) =  63.785%  kept
          QD1   LEU   80 - HN    LEU   80   3.61 +/- 0.87  32.627% * 28.0518% (0.18   7.36  85.08) =  31.175%  kept
          QG2   VAL   41 - HN    ALA   34   6.43 +/- 2.37  10.448% * 13.7290% (0.34   1.87   8.41) =   4.886%  kept
          QD1   LEU   73 - HN    ALA   34   9.13 +/- 3.27   3.305% *  0.3590% (0.83   0.02   0.02) =   0.040%
          QD1   LEU   73 - HN    LEU   80  10.70 +/- 2.43   1.980% *  0.3216% (0.75   0.02   0.02) =   0.022%
          QD2   LEU   63 - HN    ALA   34  13.30 +/- 2.22   1.197% *  0.3855% (0.89   0.02   0.02) =   0.016%
          QD2   LEU   98 - HN    ALA   34   8.62 +/- 2.40   5.255% *  0.0851% (0.20   0.02   0.02) =   0.015%
          QD1   LEU  104 - HN    ALA   34  10.13 +/- 2.53   4.091% *  0.1072% (0.25   0.02   0.02) =   0.015%
          QD1   LEU   63 - HN    ALA   34  13.94 +/- 2.21   1.036% *  0.3590% (0.83   0.02   0.02) =   0.013%
          QD1   LEU   63 - HN    LEU   80  15.25 +/- 2.81   0.556% *  0.3216% (0.75   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    ALA   34  18.08 +/- 3.09   0.795% *  0.2092% (0.49   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    LEU   80  15.84 +/- 1.71   0.397% *  0.3453% (0.80   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    LEU   80  14.04 +/- 3.39   1.768% *  0.0762% (0.18   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    ALA   34  15.92 +/- 5.89   0.683% *  0.1927% (0.45   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    LEU   80  13.78 +/- 2.28   0.621% *  0.1313% (0.30   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU   80  17.25 +/- 2.26   0.311% *  0.1874% (0.44   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ALA   34  17.06 +/- 6.15   0.538% *  0.0851% (0.20   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  18.43 +/- 3.74   0.316% *  0.0960% (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 = 0.659, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  19.13 +/- 2.91  16.438% * 31.5414% (1.00   0.02   0.02) =  35.973%  kept
          HB3   LEU  104 - HN    ALA   34  13.39 +/- 2.64  39.214% *  7.0378% (0.22   0.02   0.02) =  19.148%  kept
          HG3   LYS+ 121 - HN    ALA   34  19.30 +/- 4.38  17.510% * 14.1725% (0.45   0.02   0.02) =  17.218%  kept
          QD2   LEU  123 - HN    LEU   80  23.77 +/- 3.38   8.318% * 28.2508% (0.89   0.02   0.02) =  16.305%  kept
          HG3   LYS+ 121 - HN    LEU   80  26.02 +/- 3.31   7.347% * 12.6939% (0.40   0.02   0.02) =   6.471%  kept
          HB3   LEU  104 - HN    LEU   80  21.85 +/- 4.18  11.172% *  6.3036% (0.20   0.02   0.02) =   4.886%  kept
    Distance limit 4.50 A violated in 19 structures by 7.80 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.765, support = 5.47, residual support = 39.3:
          QB    LYS+  33 - HN    ALA   34   3.27 +/- 0.30  54.766% * 45.1375% (0.74   5.93  41.04) =  74.524%  kept
          QB    LYS+  81 - HN    LEU   80   5.14 +/- 0.48  16.380% * 42.9824% (0.94   4.42  39.67) =  21.225%  kept
          HB3   GLN   30 - HN    ALA   34   5.41 +/- 0.76  15.579% *  8.9472% (0.32   2.70   7.15) =   4.202%  kept
          HB3   GLN   90 - HN    LEU   80  12.20 +/- 1.89   1.420% *  0.1909% (0.93   0.02   0.02) =   0.008%
          HB3   LYS+  38 - HN    ALA   34   9.27 +/- 0.49   2.588% *  0.0976% (0.47   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    LEU   80  16.40 +/- 2.52   0.769% *  0.1947% (0.95   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ALA   34  14.43 +/- 2.33   0.882% *  0.1289% (0.63   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   34  17.59 +/- 3.20   0.718% *  0.1230% (0.60   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    ALA   34  15.73 +/- 2.08   0.605% *  0.1396% (0.68   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  16.52 +/- 1.35   0.484% *  0.1610% (0.78   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  19.68 +/- 4.82   0.378% *  0.1842% (0.89   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    LEU   80  13.41 +/- 2.48   1.268% *  0.0541% (0.26   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LEU   80  16.80 +/- 5.93   0.810% *  0.0800% (0.39   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  19.06 +/- 3.45   0.385% *  0.1559% (0.76   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   80  19.08 +/- 2.83   0.341% *  0.1626% (0.79   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  19.39 +/- 3.25   0.330% *  0.1488% (0.72   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  21.09 +/- 3.35   0.279% *  0.1689% (0.82   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.83 +/- 3.04   0.264% *  0.1488% (0.72   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   34  22.11 +/- 4.19   0.234% *  0.1606% (0.78   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  23.69 +/- 3.57   0.246% *  0.1230% (0.60   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.40 +/- 4.22   0.152% *  0.1345% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  25.73 +/- 2.84   0.125% *  0.1181% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  28.63 +/- 2.89   0.092% *  0.1578% (0.77   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.61 +/- 4.25   0.575% *  0.0248% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.05 +/- 3.48   0.208% *  0.0300% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.70 +/- 1.93   0.123% *  0.0448% (0.22   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 = 0.249, support = 3.65, residual support = 24.7:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.08  87.426% * 81.6470% (0.24  10.0   3.69  25.07) =  98.552%  kept
          QG2   THR   77 - HN    LEU   80   5.90 +/- 1.11   6.033% * 17.2315% (0.76   1.0   1.35   0.59) =   1.435%  kept
          QG2   THR   23 - HN    LEU   80  12.62 +/- 6.87   2.845% *  0.2070% (0.61   1.0   0.02   0.86) =   0.008%
          QB    ALA   88 - HN    LEU   80  11.33 +/- 1.34   0.841% *  0.1315% (0.39   1.0   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ALA   34  12.60 +/- 1.51   0.464% *  0.1711% (0.51   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.36 +/- 0.79   1.446% *  0.0408% (0.12   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   34  17.53 +/- 2.02   0.155% *  0.2118% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.66 +/- 3.31   0.215% *  0.0987% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  15.22 +/- 3.15   0.319% *  0.0560% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  23.41 +/- 4.46   0.082% *  0.1088% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.64 +/- 2.38   0.127% *  0.0463% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.08 +/- 3.00   0.048% *  0.0494% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.393, support = 6.11, residual support = 85.0:
      O   HB2   LEU   80 - HN    LEU   80   2.83 +/- 0.63  57.766% * 49.5827% (0.26  10.0   5.89  85.08) =  73.609%  kept
          HG    LEU   80 - HN    LEU   80   4.39 +/- 0.61  21.388% * 47.9184% (0.76   1.0   6.71  85.08) =  26.339%  kept
          HG    LEU   73 - HN    ALA   34  10.99 +/- 3.63   2.883% *  0.1232% (0.65   1.0   0.02   0.02) =   0.009%
          HG12  ILE   19 - HN    ALA   34   9.80 +/- 3.10   3.047% *  0.1013% (0.54   1.0   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HN    ALA   34  12.93 +/- 3.33   2.013% *  0.1071% (0.57   1.0   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    LEU   80  14.69 +/- 2.62   0.758% *  0.1687% (0.89   1.0   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ALA   34  10.76 +/- 1.75   2.487% *  0.0503% (0.27   1.0   0.02   0.46) =   0.003%
          HG    LEU   73 - HN    LEU   80  13.69 +/- 2.55   0.814% *  0.1490% (0.79   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ALA   34  16.05 +/- 2.84   0.779% *  0.1395% (0.74   1.0   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ALA   34  14.83 +/- 3.07   0.565% *  0.1471% (0.78   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    LEU   80  18.13 +/- 2.47   0.445% *  0.1779% (0.94   1.0   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    LEU   80  18.83 +/- 3.05   0.426% *  0.1721% (0.91   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ALA   34  19.71 +/- 7.13   0.482% *  0.1181% (0.63   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   80  17.14 +/- 2.94   0.396% *  0.1363% (0.72   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   80  19.46 +/- 6.38   0.388% *  0.1225% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  11.52 +/- 1.88   1.715% *  0.0275% (0.15   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   34  17.61 +/- 2.29   0.284% *  0.1423% (0.75   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   34  22.69 +/- 2.76   0.220% *  0.1127% (0.60   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   80  22.50 +/- 4.19   0.173% *  0.1295% (0.69   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  15.34 +/- 2.80   0.523% *  0.0368% (0.20   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  19.89 +/- 2.80   0.304% *  0.0608% (0.32   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  18.81 +/- 2.42   0.362% *  0.0445% (0.24   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  20.17 +/- 6.34   0.336% *  0.0410% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  21.27 +/- 2.78   0.268% *  0.0503% (0.27   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  19.29 +/- 2.31   0.220% *  0.0608% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.89 +/- 1.71   0.551% *  0.0228% (0.12   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  19.93 +/- 4.41   0.317% *  0.0258% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  25.98 +/- 3.12   0.092% *  0.0312% (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 = 0.582, support = 2.9, residual support = 10.7:
          HG    LEU   31 - HN    ALA   34   5.80 +/- 0.39  18.000% * 72.3448% (0.51   3.80  11.78) =  70.864%  kept
          QG1   VAL   41 - HN    ALA   34   5.63 +/- 1.55  23.374% * 22.0081% (0.78   0.75   8.41) =  27.994%  kept
          QG1   VAL   43 - HN    LEU   80   9.74 +/- 2.66   7.916% *  0.6567% (0.87   0.02   0.02) =   0.283%  kept
          QG2   THR   46 - HN    LEU   80   8.34 +/- 1.87  10.270% *  0.4315% (0.57   0.02   0.02) =   0.241%  kept
          QD2   LEU   73 - HN    ALA   34   9.27 +/- 2.75   7.136% *  0.2863% (0.38   0.02   0.02) =   0.111%  kept
          QG1   VAL   43 - HN    ALA   34  10.58 +/- 2.41   3.740% *  0.5430% (0.72   0.02   0.02) =   0.111%  kept
          QD1   ILE   19 - HN    ALA   34   8.35 +/- 2.37   8.374% *  0.1635% (0.22   0.02   0.02) =   0.075%
          QD2   LEU   73 - HN    LEU   80  10.99 +/- 2.00   3.489% *  0.3463% (0.46   0.02   0.02) =   0.066%
          QG2   VAL   18 - HN    LEU   80  15.71 +/- 6.40   1.690% *  0.5166% (0.69   0.02   0.02) =   0.048%
          QG1   VAL   41 - HN    LEU   80  15.19 +/- 2.34   1.095% *  0.7098% (0.94   0.02   0.02) =   0.042%
          QG2   VAL   18 - HN    ALA   34  12.77 +/- 1.66   1.802% *  0.4271% (0.57   0.02   0.02) =   0.042%
          QD2   LEU  104 - HN    ALA   34  10.06 +/- 2.46   6.913% *  0.1030% (0.14   0.02   0.02) =   0.039%
          HG    LEU   31 - HN    LEU   80  16.57 +/- 5.82   1.448% *  0.4602% (0.61   0.02   0.02) =   0.036%
          QD1   ILE   19 - HN    LEU   80  16.78 +/- 5.07   1.235% *  0.1978% (0.26   0.02   0.02) =   0.013%
          QG2   THR   46 - HN    ALA   34  17.63 +/- 1.88   0.626% *  0.3568% (0.47   0.02   0.02) =   0.012%
          QD1   ILE   56 - HN    LEU   80  15.70 +/- 2.40   1.001% *  0.1774% (0.24   0.02   0.02) =   0.010%
          QD1   ILE   56 - HN    ALA   34  19.14 +/- 2.94   0.946% *  0.1467% (0.20   0.02   0.02) =   0.008%
          QD2   LEU  104 - HN    LEU   80  18.10 +/- 3.71   0.946% *  0.1246% (0.17   0.02   0.02) =   0.006%
    Distance limit 4.56 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.36, residual support = 84.9:
          QD2   LEU   80 - HN    LEU   80   3.56 +/- 0.61  50.406% * 97.0965% (0.85   6.37  85.08) =  99.831%  kept
          QG1   VAL   83 - HN    LEU   80   5.10 +/- 1.02  23.056% *  0.0848% (0.24   0.02   0.15) =   0.040%
          QD1   LEU   73 - HN    ALA   34   9.13 +/- 3.27   6.812% *  0.2756% (0.77   0.02   0.02) =   0.038%
          QD1   LEU  104 - HN    ALA   34  10.13 +/- 2.53   6.131% *  0.1931% (0.54   0.02   0.02) =   0.024%
          QD1   LEU   73 - HN    LEU   80  10.70 +/- 2.43   3.247% *  0.3333% (0.93   0.02   0.02) =   0.022%
          QD2   LEU   80 - HN    ALA   34  15.92 +/- 5.89   1.840% *  0.2521% (0.70   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    LEU   80  15.25 +/- 2.81   0.999% *  0.3333% (0.93   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    ALA   34  13.94 +/- 2.21   1.196% *  0.2756% (0.77   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    ALA   34  18.08 +/- 3.09   0.939% *  0.2595% (0.72   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    LEU   80  17.25 +/- 2.26   0.640% *  0.3139% (0.87   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    LEU   80  18.43 +/- 3.74   0.844% *  0.2336% (0.65   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    ALA   34  13.30 +/- 2.22   1.545% *  0.1261% (0.35   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU   80  15.84 +/- 1.71   0.747% *  0.1525% (0.42   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    ALA   34  16.50 +/- 5.70   1.599% *  0.0701% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.09 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 = 0.456, support = 0.157, residual support = 0.302:
          QG1   VAL   75 - HN    LEU   80   6.41 +/- 1.30  74.065% * 80.2228% (0.46   0.16   0.31) =  97.163%  kept
          QG1   VAL   75 - HN    ALA   34  13.86 +/- 2.58  10.213% *  8.2370% (0.38   0.02   0.02) =   1.376%  kept
          QD1   LEU  115 - HN    ALA   34  18.29 +/- 2.91   9.113% *  5.2231% (0.24   0.02   0.02) =   0.778%  kept
          QD1   LEU  115 - HN    LEU   80  16.11 +/- 2.23   6.609% *  6.3171% (0.29   0.02   0.02) =   0.683%  kept
    Distance limit 4.49 A violated in 9 structures by 1.86 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.618, support = 3.52, residual support = 25.3:
      O   HA    ALA   34 - HN    ALA   34   2.74 +/- 0.03  69.762% * 83.8740% (0.63  10.0   3.49  25.07) =  97.272%  kept
          HA    LYS+  81 - HN    LEU   80   4.68 +/- 0.36  14.860% *  9.7674% (0.29   1.0   5.00  39.67) =   2.413%  kept
          HA    ASN   28 - HN    ALA   34   7.72 +/- 0.33   3.187% *  3.3669% (0.74   1.0   0.68   0.02) =   0.178%  kept
          HA    GLU-  36 - HN    ALA   34   7.01 +/- 0.05   4.180% *  1.8501% (0.17   1.0   1.59   0.30) =   0.129%  kept
          HA1   GLY  101 - HN    ALA   34  10.56 +/- 3.37   2.474% *  0.0635% (0.47   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    LEU   80  16.31 +/- 7.06   0.824% *  0.1198% (0.89   1.0   0.02   1.27) =   0.002%
          HA    THR   26 - HN    ALA   34   9.63 +/- 1.43   2.104% *  0.0183% (0.14   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  18.51 +/- 2.75   0.300% *  0.1058% (0.79   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ALA   34  21.13 +/- 3.02   0.245% *  0.0967% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.62 +/- 2.33   0.191% *  0.1169% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.46 +/- 3.86   0.182% *  0.1014% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  22.25 +/- 5.03   0.197% *  0.0761% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.95 +/- 3.86   0.194% *  0.0768% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  17.87 +/- 7.77   0.623% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.97 +/- 4.14   0.132% *  0.0875% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  24.57 +/- 3.42   0.146% *  0.0470% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.19 +/- 2.26   0.113% *  0.0568% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.09 +/- 3.74   0.058% *  0.0920% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  23.83 +/- 4.47   0.137% *  0.0323% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  26.62 +/- 3.77   0.089% *  0.0282% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.583, support = 3.08, residual support = 11.1:
          HA    LEU   31 - HN    ALA   34   3.36 +/- 0.57  61.567% * 89.3414% (0.60   3.25  11.78) =  93.768%  kept
          HA    THR   77 - HN    LEU   80   4.73 +/- 1.50  37.549% *  9.7232% (0.36   0.60   0.59) =   6.224%  kept
          HA    LEU   31 - HN    LEU   80  18.55 +/- 5.00   0.569% *  0.6653% (0.72   0.02   0.02) =   0.006%
          HA    THR   77 - HN    ALA   34  20.31 +/- 3.08   0.316% *  0.2701% (0.29   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.715, support = 4.35, residual support = 20.4:
          QE    LYS+  33 - HN    ALA   34   4.47 +/- 0.81  34.198% * 33.6936% (0.60   5.13  41.04) =  43.333%  kept
          HB2   ASP-  78 - HN    LEU   80   5.24 +/- 1.00  22.794% * 43.5009% (0.93   4.27   6.34) =  37.289%  kept
          HB2   ASP-  76 - HN    LEU   80   4.87 +/- 1.00  27.892% * 17.9308% (0.57   2.84   1.31) =  18.809%  kept
          HB2   ASN   28 - HN    ALA   34   9.35 +/- 0.68   3.688% *  3.8324% (0.51   0.69   0.02) =   0.532%  kept
          HB2   ASN   69 - HN    ALA   34  14.08 +/- 3.50   3.134% *  0.0837% (0.38   0.02   0.02) =   0.010%
          HB2   ASP-  86 - HN    LEU   80   9.44 +/- 1.06   3.612% *  0.0579% (0.26   0.02   0.02) =   0.008%
          HB2   ASN   28 - HN    LEU   80  17.32 +/- 7.62   1.377% *  0.1346% (0.61   0.02   1.27) =   0.007%
          QE    LYS+  33 - HN    LEU   80  19.95 +/- 4.90   0.513% *  0.1590% (0.72   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    LEU   80  16.71 +/- 3.76   0.751% *  0.1013% (0.46   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HN    ALA   34  19.32 +/- 3.05   0.486% *  0.1043% (0.47   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  23.23 +/- 2.76   0.271% *  0.1686% (0.77   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ALA   34  18.73 +/- 2.39   0.524% *  0.0837% (0.38   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  23.26 +/- 2.90   0.273% *  0.1013% (0.46   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  22.77 +/- 7.02   0.488% *  0.0478% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.459, support = 5.63, residual support = 48.3:
          HB2   GLU-  79 - HN    LEU   80   2.84 +/- 0.48  84.591% * 89.2810% (0.46   5.68  48.75) =  99.147%  kept
          HG3   GLU-  36 - HN    ALA   34   6.96 +/- 0.98   9.318% *  6.7259% (0.27   0.74   0.30) =   0.823%  kept
          HG3   GLU-  25 - HN    LEU   80  18.23 +/- 8.44   0.937% *  0.6335% (0.93   0.02   0.02) =   0.008%
          HG2   PRO   52 - HN    LEU   80  16.39 +/- 3.97   0.778% *  0.5606% (0.82   0.02   0.02) =   0.006%
          HG3   GLU-  25 - HN    ALA   34  14.47 +/- 1.29   0.812% *  0.5238% (0.77   0.02   0.02) =   0.006%
          HG2   MET   92 - HN    LEU   80  13.38 +/- 2.67   1.485% *  0.2204% (0.32   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HN    ALA   34  19.54 +/- 4.05   0.363% *  0.2601% (0.38   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    LEU   80  19.86 +/- 2.63   0.351% *  0.2657% (0.39   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  23.35 +/- 3.94   0.390% *  0.2005% (0.29   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  21.45 +/- 2.82   0.323% *  0.2197% (0.32   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  27.35 +/- 2.57   0.126% *  0.4635% (0.68   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    LEU   80  22.58 +/- 3.04   0.236% *  0.2426% (0.36   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  26.39 +/- 3.73   0.142% *  0.2204% (0.32   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  25.98 +/- 1.88   0.147% *  0.1823% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.762, support = 7.1, residual support = 38.5:
      O   HA    LYS+  33 - HN    ALA   34   3.58 +/- 0.03  40.409% * 81.8123% (0.78  10.0   7.34  41.04) =  93.664%  kept
          HA    GLN   32 - HN    ALA   34   4.41 +/- 0.34  22.380% *  5.3320% (0.22   1.0   4.69   0.64) =   3.381%  kept
          HA    GLU-  29 - HN    ALA   34   6.43 +/- 0.88   9.473% *  9.3915% (0.75   1.0   2.38   0.68) =   2.521%  kept
          HB2   SER   82 - HN    LEU   80   7.04 +/- 0.67   5.856% *  2.4652% (0.85   1.0   0.56   0.50) =   0.409%  kept
          HA    VAL   70 - HN    ALA   34  11.15 +/- 2.63   4.551% *  0.0710% (0.68   1.0   0.02   0.02) =   0.009%
          HB2   SER   37 - HN    ALA   34   6.06 +/- 0.88   9.919% *  0.0182% (0.17   1.0   0.02   0.02) =   0.005%
          HA    SER   48 - HN    LEU   80  11.67 +/- 2.53   1.688% *  0.0521% (0.50   1.0   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    ALA   34  12.88 +/- 2.41   1.029% *  0.0774% (0.74   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    LEU   80  20.01 +/- 6.79   0.428% *  0.0955% (0.91   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    LEU   80  19.79 +/- 7.51   0.423% *  0.0936% (0.89   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  11.64 +/- 0.98   1.272% *  0.0305% (0.29   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  19.96 +/- 1.86   0.254% *  0.0858% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  22.84 +/- 7.23   0.296% *  0.0734% (0.70   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  23.25 +/- 4.99   0.202% *  0.0989% (0.95   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  22.55 +/- 3.28   0.262% *  0.0710% (0.68   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   80  23.14 +/- 2.83   0.176% *  0.0858% (0.82   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.13 +/- 3.14   0.597% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  21.86 +/- 5.49   0.267% *  0.0275% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.75 +/- 3.30   0.134% *  0.0430% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.42 +/- 3.07   0.167% *  0.0220% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  27.17 +/- 5.09   0.123% *  0.0253% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.66 +/- 2.12   0.096% *  0.0126% (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 = 0.315, support = 1.94, residual support = 5.0:
          HN    GLN   30 - HN    ALA   34   5.74 +/- 0.80  49.230% * 41.2790% (0.17  1.00   2.47   7.15) =  66.926%  kept
          HN    GLU-  29 - HN    ALA   34   7.78 +/- 0.81  19.550% * 50.1395% (0.61  1.00   0.87   0.68) =  32.282%  kept
          HN    ASP-  86 - HN    LEU   80   8.80 +/- 0.78  16.629% *  0.3801% (0.20  1.00   0.02   0.02) =   0.208%  kept
          HN    VAL   18 - HN    ALA   34  14.98 +/- 2.57   3.695% *  1.3840% (0.72  1.00   0.02   0.02) =   0.168%  kept
        T HN    ASP-  86 - HN    ALA   34  24.12 +/- 6.34   1.189% *  4.2434% (0.22 10.00   0.02   0.02) =   0.166%  kept
          HN    GLU-  29 - HN    LEU   80  17.85 +/- 7.24   3.943% *  1.0354% (0.54  1.00   0.02   0.02) =   0.134%  kept
          HN    VAL   18 - HN    LEU   80  20.90 +/- 7.53   1.856% *  1.2396% (0.65  1.00   0.02   0.02) =   0.076%
          HN    GLN   30 - HN    LEU   80  17.56 +/- 6.63   3.908% *  0.2990% (0.16  1.00   0.02   0.02) =   0.038%
    Distance limit 3.84 A violated in 14 structures by 1.65 A, kept.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.215, support = 1.89, residual support = 4.82:
          HN    GLN   30 - HN    ALA   34   5.74 +/- 0.80  49.230% * 37.9614% (0.11  1.00   2.47   7.15) =  64.192%  kept
          HN    GLU-  29 - HN    ALA   34   7.78 +/- 0.81  19.550% * 51.7583% (0.41  1.00   0.87   0.68) =  34.756%  kept
          HN    ASP-  86 - HN    LEU   80   8.80 +/- 0.78  16.629% *  0.4804% (0.17  1.00   0.02   0.02) =   0.274%  kept
          HN    VAL   18 - HN    ALA   34  14.98 +/- 2.57   3.695% *  1.8162% (0.63  1.00   0.02   0.02) =   0.231%  kept
          HN    GLU-  29 - HN    LEU   80  17.85 +/- 7.24   3.943% *  1.4433% (0.50  1.00   0.02   0.02) =   0.196%  kept
        T HN    ASP-  86 - HN    ALA   34  24.12 +/- 6.34   1.189% *  3.9723% (0.14 10.00   0.02   0.02) =   0.162%  kept
          HN    VAL   18 - HN    LEU   80  20.90 +/- 7.53   1.856% *  2.1967% (0.76  1.00   0.02   0.02) =   0.140%  kept
          HN    GLN   30 - HN    LEU   80  17.56 +/- 6.63   3.908% *  0.3713% (0.13  1.00   0.02   0.02) =   0.050%
    Distance limit 3.81 A violated in 14 structures by 1.67 A, kept.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.49, residual support = 20.1:
        T HN    ASN   35 - HN    ALA   34   2.75 +/- 0.07  97.285% * 98.3004% (0.54 10.00   4.49  20.15) =  99.995%  kept
        T HN    ASN   35 - HN    LEU   80  22.56 +/- 4.29   0.235% *  1.1889% (0.65 10.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    ALA   34  17.89 +/- 3.86   0.675% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    LEU   80  17.28 +/- 2.71   0.553% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.70 +/- 0.93   0.657% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.86 +/- 5.90   0.126% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.49 +/- 2.23   0.230% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  23.32 +/- 3.16   0.239% *  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 = 5.33, residual support = 39.6:
          HN    LYS+  81 - HN    LEU   80   3.49 +/- 0.52  78.930% * 96.2814% (0.94   5.34  39.67) =  99.778%  kept
          HE3   TRP   27 - HN    LEU   80  13.65 +/- 6.86   5.859% *  2.5057% (0.15   0.89   6.92) =   0.193%  kept
          QD    PHE   60 - HN    ALA   34  16.18 +/- 3.02   3.709% *  0.2695% (0.70   0.02   0.02) =   0.013%
          QD    PHE   60 - HN    LEU   80  14.99 +/- 4.12   1.732% *  0.3260% (0.85   0.02   0.02) =   0.007%
          HE3   TRP   27 - HN    ALA   34   8.45 +/- 1.32   7.824% *  0.0464% (0.12   0.02   0.02) =   0.005%
          HN    LYS+  81 - HN    ALA   34  22.90 +/- 5.12   0.394% *  0.2979% (0.78   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  18.85 +/- 2.41   0.711% *  0.1494% (0.39   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    ALA   34  17.93 +/- 1.87   0.841% *  0.1236% (0.32   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peaks:
      selected                               :   1103
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     47
      with multiple assignment possibilities :    925
      with given assignment possibilities    :      0
      with unique volume contribution        :    456
      with multiple volume contributions     :    516
      eliminated by violation filter         :     34
 
    Peaks:
      selected                               :   1103
      without assignment                     :     49
      with assignment                        :   1054
      with unique assignment                 :    564
      with multiple assignment               :    490
      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             :    925
 
    Atoms with eliminated volume contribution > 2.5:
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.766, support = 3.65, residual support = 46.8:
    * O T HG2   MET   11 - HA    MET   11   3.45 +/- 0.58  36.376% * 70.8328% (1.00  10.0 10.00   4.00  47.69) =  61.616%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.77 +/- 0.21  57.804% * 27.7351% (0.39  10.0 10.00   3.08  45.47) =  38.338%  kept
        T HB2   GLU-  14 - HA    MET   11   9.81 +/- 1.47   1.700% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.029%
        T HG2   MET   11 - HA    GLU-  14   9.80 +/- 1.86   2.545% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.017%
          HB2   PRO   68 - HA    GLU-  14  15.77 +/- 5.99   0.776% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.97 +/- 6.24   0.043% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  22.15 +/- 5.73   0.243% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.19 +/- 5.38   0.056% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.51 +/- 5.29   0.078% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  25.24 +/- 4.20   0.098% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  37.48 +/- 4.23   0.026% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  31.17 +/- 3.95   0.044% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.16 +/- 3.76   0.041% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.56 +/- 3.77   0.073% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  36.78 +/- 3.69   0.030% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  30.22 +/- 4.02   0.066% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.79, support = 3.69, residual support = 46.9:
    * O T HG3   MET   11 - HA    MET   11   3.26 +/- 0.63  38.924% * 72.0852% (1.00  10.0 10.00   4.00  47.69) =  66.687%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.83 +/- 0.19  52.278% * 26.7596% (0.37  10.0 10.00   3.08  45.47) =  33.249%  kept
        T HG3   MET   11 - HA    GLU-  14  10.00 +/- 2.59   5.178% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.035%
        T HB3   GLU-  14 - HA    MET   11   9.61 +/- 1.49   1.806% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.029%
          HB3   GLN   30 - HA    MET   11  18.47 +/- 2.99   0.271% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.69 +/- 3.95   0.151% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.92 +/- 3.06   0.671% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.83 +/- 3.89   0.323% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.34 +/- 2.92   0.051% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.46 +/- 2.97   0.099% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.85 +/- 5.67   0.058% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  24.04 +/- 4.44   0.116% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.78 +/- 3.03   0.026% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.61 +/- 3.49   0.047% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.827, support = 3.8, residual support = 46.3:
    * O T HA    MET   11 - HG2   MET   11   3.45 +/- 0.58  27.672% * 79.8652% (1.00  10.0 10.00   4.00  47.69) =  78.430%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.77 +/- 0.21  43.341% * 12.2954% (0.15  10.0 10.00   3.08  45.47) =  18.911%  kept
          HA    ALA   12 - HG2   MET   11   4.72 +/- 0.90  11.896% *  6.1371% (0.53   1.0  1.00   2.92  12.07) =   2.591%  kept
          HA    ALA   12 - HB2   GLU-  14   7.42 +/- 1.11   3.231% *  0.2627% (0.20   1.0  1.00   0.33   0.02) =   0.030%
        T HA    GLU-  14 - HG2   MET   11   9.80 +/- 1.86   1.903% *  0.3283% (0.41   1.0 10.00   0.02   0.02) =   0.022%
        T HA    MET   11 - HB2   GLU-  14   9.81 +/- 1.47   1.281% *  0.2991% (0.37   1.0 10.00   0.02   0.02) =   0.014%
          HA1   GLY   51 - HB2   ARG+  54   5.76 +/- 0.67   5.534% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   GLU-  14  15.90 +/- 5.06   0.431% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  21.78 +/- 5.26   0.145% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  13.95 +/- 2.19   0.530% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.53 +/- 2.70   0.043% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.06 +/- 3.83   0.045% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  21.37 +/- 2.98   0.106% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   8.02 +/- 1.14   2.270% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.24 +/- 1.96   0.339% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.97 +/- 6.24   0.033% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  29.18 +/- 6.45   0.054% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  32.30 +/- 4.12   0.031% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  22.99 +/- 2.64   0.083% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.51 +/- 5.29   0.059% *  0.0317% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.11 +/- 3.07   0.054% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.31 +/- 4.80   0.019% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  23.94 +/- 5.58   0.082% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.74 +/- 5.43   0.022% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  32.50 +/- 3.86   0.029% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.54 +/- 2.73   0.185% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.00 +/- 2.38   0.098% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  37.11 +/- 3.88   0.020% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.38 +/- 2.87   0.081% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  31.27 +/- 4.16   0.042% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  32.03 +/- 4.72   0.033% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  24.23 +/- 3.53   0.093% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  30.48 +/- 3.62   0.038% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  27.05 +/- 4.34   0.070% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.52 +/- 2.27   0.069% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.87 +/- 5.74   0.041% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.846, support = 3.27, residual support = 45.5:
    * O T QB    MET   11 - HG2   MET   11   2.33 +/- 0.13  43.862% * 66.1248% (1.00  10.0 10.00   3.31  47.69) =  80.205%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.39 +/- 0.14  40.801% * 14.0193% (0.21  10.0 10.00   3.29  45.47) =  15.817%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.48 +/- 0.97   7.921% * 17.9811% (0.27   1.0 10.00   2.31   1.69) =   3.938%  kept
        T QG    GLU-  14 - HG2   MET   11   8.77 +/- 1.98   1.842% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.019%
        T QB    MET   11 - HB2   GLU-  14   8.93 +/- 1.47   1.455% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.010%
        T QG    GLU-  15 - HG2   MET   11  11.65 +/- 2.03   0.529% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   GLU-  36 - HB2   GLU-  14  15.75 +/- 5.29   0.746% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HG2   MET   11  19.23 +/- 5.25   0.139% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  15.30 +/- 4.56   0.245% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.68 +/- 4.92   0.052% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.68 +/- 1.76   0.209% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.19 +/- 4.49   0.056% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.43 +/- 3.66   0.062% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.23 +/- 2.92   0.494% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.36 +/- 5.23   0.026% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  19.85 +/- 3.48   0.090% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.00 +/- 3.31   0.033% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  13.65 +/- 3.05   0.391% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  28.42 +/- 6.35   0.040% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.63 +/- 2.78   0.221% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.74 +/- 4.73   0.153% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  33.88 +/- 4.75   0.020% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  34.35 +/- 3.48   0.015% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  22.79 +/- 5.66   0.065% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  33.04 +/- 4.36   0.019% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.26 +/- 4.32   0.050% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.75 +/- 1.54   0.192% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.29 +/- 4.22   0.088% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  37.42 +/- 2.73   0.011% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.91 +/- 3.21   0.027% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.73 +/- 4.62   0.025% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  30.59 +/- 3.05   0.021% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.05 +/- 2.45   0.101% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 47.1:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  47.958% * 72.5786% (1.00  10.0 10.00   4.00  47.69) =  73.824%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  47.958% * 25.7103% (0.35  10.0 10.00   3.00  45.47) =  26.152%  kept
        T HG3   MET   11 - HB2   GLU-  14  10.14 +/- 2.67   2.459% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   GLU-  14 - HG2   MET   11   9.71 +/- 2.34   0.677% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   PRO   58 - HG2   MET   11  31.38 +/- 4.91   0.011% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  24.37 +/- 4.28   0.024% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  28.89 +/- 5.13   0.016% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.03 +/- 3.67   0.186% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  18.83 +/- 3.60   0.059% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  11.17 +/- 1.62   0.239% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  35.40 +/- 5.99   0.008% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  24.18 +/- 4.38   0.026% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  17.60 +/- 3.97   0.068% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  29.77 +/- 2.56   0.011% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.53 +/- 4.38   0.036% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  23.05 +/- 2.58   0.024% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.72 +/- 2.55   0.139% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  18.70 +/- 2.38   0.048% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  37.19 +/- 2.64   0.005% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  23.87 +/- 4.94   0.039% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  30.30 +/- 2.92   0.010% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.853, support = 3.83, residual support = 46.4:
    * O T HA    MET   11 - HG3   MET   11   3.26 +/- 0.63  32.600% * 80.7212% (1.00  10.0 10.00   4.00  47.69) =  81.676%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.83 +/- 0.19  42.757% * 11.7818% (0.15  10.0 10.00   3.08  45.47) =  15.636%  kept
          HA    ALA   12 - HG3   MET   11   4.92 +/- 1.06  13.630% *  6.2125% (0.53   1.0  1.00   2.93  12.07) =   2.628%  kept
        T HA    GLU-  14 - HG3   MET   11  10.00 +/- 2.59   4.253% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.044%
        T HA    MET   11 - HB3   GLU-  14   9.61 +/- 1.49   1.479% *  0.2866% (0.36   1.0 10.00   0.02   0.02) =   0.013%
          HA    ALA   12 - HB3   GLU-  14   7.28 +/- 1.35   3.751% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   39 - HB3   GLU-  14  16.01 +/- 5.06   0.504% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  22.02 +/- 5.23   0.149% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  28.61 +/- 2.89   0.047% *  0.0805% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  29.18 +/- 4.01   0.046% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  21.55 +/- 3.14   0.116% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  29.15 +/- 6.34   0.068% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  32.32 +/- 4.18   0.036% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.09 +/- 2.75   0.088% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  38.34 +/- 4.62   0.023% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  26.35 +/- 3.25   0.061% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  24.25 +/- 5.73   0.095% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  37.80 +/- 5.23   0.025% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  32.66 +/- 4.30   0.033% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  37.09 +/- 4.43   0.024% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  31.22 +/- 4.90   0.047% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  32.18 +/- 5.18   0.037% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.73 +/- 3.59   0.043% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  24.50 +/- 3.47   0.089% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.834, support = 3.27, residual support = 45.8:
    * O T QB    MET   11 - HG3   MET   11   2.45 +/- 0.12  41.279% * 67.3911% (1.00  10.0 10.00   3.31  47.69) =  79.035%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.36 +/- 0.14  46.078% * 13.5457% (0.20  10.0 10.00   3.29  45.47) =  17.733%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.27 +/- 0.93   6.443% * 17.3737% (0.26   1.0 10.00   2.18   1.69) =   3.180%  kept
        T QG    GLU-  14 - HG3   MET   11   8.93 +/- 2.47   2.964% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.032%
        T QG    GLU-  15 - HG3   MET   11  11.92 +/- 2.58   0.668% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.009%
        T QB    MET   11 - HB3   GLU-  14   8.77 +/- 1.39   1.175% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   GLU-  36 - HG3   MET   11  19.36 +/- 5.35   0.150% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLU-  36 - HB3   GLU-  14  15.74 +/- 5.10   0.390% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   GLU-  14  15.45 +/- 4.55   0.270% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  22.52 +/- 3.75   0.067% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  27.07 +/- 3.53   0.035% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  20.06 +/- 3.54   0.094% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  28.42 +/- 6.19   0.038% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  26.36 +/- 4.75   0.068% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  33.14 +/- 4.68   0.021% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  34.37 +/- 3.21   0.016% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  23.08 +/- 5.90   0.070% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  30.84 +/- 5.21   0.030% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  37.45 +/- 2.98   0.012% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  23.46 +/- 4.34   0.082% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  29.05 +/- 3.23   0.028% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  30.76 +/- 3.10   0.023% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 47.1:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  48.279% * 71.8618% (1.00  10.0 10.00   4.00  47.69) =  73.811%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  48.279% * 25.4564% (0.35  10.0 10.00   3.00  45.47) =  26.147%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.14 +/- 2.67   2.475% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.038%
        T HG2   MET   11 - HB3   GLU-  14   9.71 +/- 2.34   0.681% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   PRO   58 - HG3   MET   11  32.74 +/- 5.35   0.011% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  37.94 +/- 4.09   0.005% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  22.92 +/- 6.37   0.060% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  35.40 +/- 5.99   0.008% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  16.54 +/- 5.75   0.113% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  28.89 +/- 5.13   0.016% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  25.68 +/- 4.04   0.020% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  31.22 +/- 3.41   0.010% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  33.65 +/- 3.47   0.008% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  26.63 +/- 3.33   0.016% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  37.24 +/- 3.61   0.006% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  29.97 +/- 3.98   0.014% *  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 = 0.883, support = 3.38, residual support = 46.5:
    * O T HA    MET   11 - QB    MET   11   2.34 +/- 0.15  38.235% * 74.9949% (1.00  10.0 10.00   3.37  47.69) =  86.181%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.38 +/- 0.41  38.564% * 10.0054% (0.13  10.0 10.00   3.60  45.47) =  11.597%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.97 +/- 0.89   5.640% *  7.4329% (0.10   1.0 10.00   2.53   1.69) =   1.260%  kept
          HA    ALA   12 - QB    MET   11   4.22 +/- 0.24   6.817% *  4.5555% (0.53   1.0  1.00   2.31  12.07) =   0.933%  kept
        T HA    GLU-  14 - QB    MET   11   8.64 +/- 1.40   1.109% *  0.3083% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T HA    MET   11 - QG    GLU-  14   8.64 +/- 1.38   1.212% *  0.2434% (0.32   1.0 10.00   0.02   0.02) =   0.009%
        T HA    MET   11 - QG    GLU-  15  11.14 +/- 2.08   0.911% *  0.1808% (0.24   1.0 10.00   0.02   0.02) =   0.005%
        T HA    ASP-  44 - QB    MET   11  25.39 +/- 2.45   0.033% *  0.7483% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.73 +/- 0.87   1.888% *  0.0128% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  18.89 +/- 3.39   0.097% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - QB    MET   11  26.07 +/- 5.72   0.050% *  0.4246% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  18.68 +/- 3.22   0.092% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.15 +/- 1.40   1.223% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  11.70 +/- 5.33   1.319% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  14.64 +/- 4.72   0.449% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  19.45 +/- 4.30   0.103% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.40 +/- 1.50   0.608% *  0.0045% (0.06   1.0  1.00   0.02   0.85) =   0.000%
          HA    ILE  103 - QB    MET   11  26.04 +/- 3.45   0.036% *  0.0692% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  28.83 +/- 3.82   0.026% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.69 +/- 2.54   0.071% *  0.0225% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.79 +/- 2.76   0.029% *  0.0529% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.11 +/- 3.07   0.089% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.03 +/- 3.51   0.050% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.00 +/- 5.70   0.084% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.29 +/- 4.25   0.016% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  16.52 +/- 4.75   0.285% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  16.96 +/- 1.67   0.117% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  18.91 +/- 4.50   0.108% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  24.01 +/- 2.66   0.041% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  17.94 +/- 4.73   0.137% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  28.76 +/- 4.17   0.025% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  33.84 +/- 4.70   0.016% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  23.19 +/- 4.49   0.050% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  32.88 +/- 3.99   0.017% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.72 +/- 1.17   0.043% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  29.80 +/- 4.39   0.022% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  27.62 +/- 4.24   0.031% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  28.42 +/- 4.85   0.028% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.82 +/- 3.47   0.034% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  21.33 +/- 3.08   0.060% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  29.15 +/- 5.28   0.024% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  27.70 +/- 3.84   0.031% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.08 +/- 2.06   0.023% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  21.25 +/- 3.31   0.071% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  32.40 +/- 4.66   0.017% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  30.22 +/- 6.28   0.024% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  28.52 +/- 3.81   0.034% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  35.66 +/- 3.31   0.013% *  0.0035% (0.05   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 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 = 0.824, support = 3.27, residual support = 45.7:
    * O T HG2   MET   11 - QB    MET   11   2.33 +/- 0.13  43.814% * 62.8007% (1.00  10.0 10.00   3.31  47.69) =  74.340%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.39 +/- 0.14  40.755% * 20.3350% (0.32  10.0 10.00   3.29  45.47) =  22.391%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.48 +/- 0.97   7.913% * 15.1066% (0.24   1.0 10.00   2.31   1.69) =   3.230%  kept
        T HB2   GLU-  14 - QB    MET   11   8.93 +/- 1.47   1.453% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.025%
        T HG2   MET   11 - QG    GLU-  14   8.77 +/- 1.98   1.840% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   MET   11 - QG    GLU-  15  11.65 +/- 2.03   0.529% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU-  14 - HG3   GLU-  36  15.75 +/- 5.29   0.746% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HG3   GLU-  36  19.23 +/- 5.25   0.139% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15  12.47 +/- 5.96   1.466% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  29.50 +/- 4.27   0.047% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  31.36 +/- 5.23   0.026% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  20.00 +/- 4.97   0.122% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.93 +/- 4.69   0.034% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  25.19 +/- 4.49   0.056% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  14.82 +/- 5.33   0.318% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  25.68 +/- 4.92   0.052% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.56 +/- 3.47   0.058% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.87 +/- 3.14   0.015% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  21.82 +/- 3.58   0.072% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  33.67 +/- 3.62   0.017% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  27.35 +/- 3.43   0.031% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  29.89 +/- 3.15   0.024% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  27.88 +/- 3.51   0.029% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  23.34 +/- 3.14   0.050% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  23.28 +/- 3.69   0.054% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  20.00 +/- 3.84   0.148% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  33.88 +/- 4.75   0.020% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  33.17 +/- 3.38   0.018% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  25.46 +/- 4.35   0.071% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.66 +/- 3.31   0.035% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  29.15 +/- 1.96   0.023% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  27.96 +/- 1.73   0.026% *  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 = 0.807, support = 3.28, residual support = 45.9:
    * O T HG3   MET   11 - QB    MET   11   2.45 +/- 0.12  40.182% * 64.2177% (1.00  10.0 10.00   3.31  47.69) =  72.525%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.36 +/- 0.14  44.852% * 19.7139% (0.31  10.0 10.00   3.29  45.47) =  24.852%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.27 +/- 0.93   6.272% * 14.6452% (0.23   1.0 10.00   2.18   1.69) =   2.582%  kept
        T HB3   GLU-  14 - QB    MET   11   8.77 +/- 1.39   1.144% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.020%
        T HG3   MET   11 - QG    GLU-  14   8.93 +/- 2.47   2.885% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   MET   11 - QG    GLU-  15  11.92 +/- 2.58   0.650% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   GLU-  14 - HG3   GLU-  36  15.74 +/- 5.10   0.379% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HG3   GLU-  36  19.36 +/- 5.35   0.146% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  11.64 +/- 3.41   0.652% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  13.46 +/- 4.09   0.491% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  16.96 +/- 3.12   0.189% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.80 +/- 2.97   0.034% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.55 +/- 3.64   0.081% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  27.01 +/- 3.38   0.035% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.07 +/- 3.90   0.231% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.61 +/- 2.48   0.033% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  12.04 +/- 2.69   0.478% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.71 +/- 4.93   0.043% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.55 +/- 2.84   0.080% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.79 +/- 3.06   0.095% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.55 +/- 3.69   0.077% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.76 +/- 1.80   0.271% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.49 +/- 1.20   0.450% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.92 +/- 3.75   0.087% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.94 +/- 1.59   0.068% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.18 +/- 2.64   0.017% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  28.84 +/- 4.94   0.060% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  31.79 +/- 1.89   0.019% *  0.0022% (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 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 +/- 0.02  98.470% * 99.1918% (0.82  10.0 10.00   2.00  12.35) =  99.999%  kept
          HG3   LYS+  33 - HA    ALA   12  16.41 +/- 3.91   0.369% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  20.25 +/- 4.05   0.158% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  29.45 +/- 6.75   0.265% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  22.24 +/- 4.29   0.119% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  22.38 +/- 2.35   0.094% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  19.97 +/- 3.82   0.162% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.46 +/- 2.77   0.097% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  28.38 +/- 4.96   0.074% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.29 +/- 4.18   0.069% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  34.56 +/- 5.46   0.031% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  28.80 +/- 5.90   0.055% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  31.14 +/- 3.26   0.037% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.816, support = 2.01, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  82.037% * 95.6489% (0.82  10.0 10.00   2.00  12.35) =  99.302%  kept
          HA    MET   11 - QB    ALA   12   3.87 +/- 0.15  13.855% *  3.9530% (0.24   1.0  1.00   2.88  12.07) =   0.693%  kept
          HA    GLU-  14 - QB    ALA   12   6.35 +/- 0.89   3.747% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU  104 - QB    ALA   12  23.68 +/- 4.16   0.115% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  30.14 +/- 4.42   0.036% *  0.0989% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.86 +/- 2.50   0.089% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  25.33 +/- 2.66   0.055% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  30.60 +/- 4.11   0.033% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  30.57 +/- 3.77   0.032% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.859, support = 2.11, residual support = 12.8:
    * O T QB    SER   13 - HA    SER   13   2.43 +/- 0.14  50.006% * 63.6116% (1.00  10.0 10.00   1.93   6.15) =  71.525%  kept
      O T HB3   SER   37 - HA    SER   37   2.67 +/- 0.22  39.056% * 32.1544% (0.51  10.0 10.00   2.58  29.75) =  28.238%  kept
          HB    THR   39 - HA    SER   37   5.79 +/- 0.91   4.876% *  2.0277% (0.53   1.0  1.00   1.20   4.51) =   0.222%  kept
        T HB3   SER   37 - HA    SER   13  15.21 +/- 5.22   0.533% *  0.6017% (0.95   1.0 10.00   0.02   0.02) =   0.007%
        T QB    SER   13 - HA    SER   37  14.83 +/- 4.56   0.531% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   89 - HA    THR   46  10.76 +/- 1.99   0.882% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  24.58 +/- 2.89   0.058% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    THR   46   8.74 +/- 1.55   1.434% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  16.34 +/- 4.68   0.283% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.98 +/- 1.49   0.048% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.45 +/- 4.14   0.586% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.46 +/- 1.61   0.785% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.57 +/- 1.46   0.213% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.86 +/- 1.43   0.238% *  0.0234% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.03 +/- 5.26   0.076% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.87 +/- 1.16   0.070% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  30.63 +/- 5.95   0.036% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  22.80 +/- 3.18   0.076% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  28.08 +/- 5.04   0.041% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  34.20 +/- 3.52   0.020% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  21.33 +/- 2.06   0.080% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  31.19 +/- 3.38   0.026% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  32.95 +/- 3.78   0.023% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  33.50 +/- 2.48   0.021% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.862, support = 2.12, residual support = 13.1:
    * O T HA    SER   13 - QB    SER   13   2.43 +/- 0.14  46.020% * 63.8850% (1.00  10.0 10.00   1.93   6.15) =  70.713%  kept
      O T HA    SER   37 - HB3   SER   37   2.67 +/- 0.22  35.984% * 33.8056% (0.53  10.0 10.00   2.58  29.75) =  29.259%  kept
        T HA    SER   13 - HB3   SER   37  15.21 +/- 5.22   0.487% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLU-  15 - QB    SER   13   6.66 +/- 1.14   3.217% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.005%
        T HA    SER   37 - QB    SER   13  14.83 +/- 4.56   0.486% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  15 - HB3   SER   37  12.00 +/- 5.53   2.797% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU   40 - HB3   SER   37   8.26 +/- 1.36   1.984% *  0.0565% (0.88   1.0  1.00   0.02   0.52) =   0.003%
          HA    GLN   17 - QB    SER   13   9.52 +/- 1.91   1.784% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HB3   SER   37   6.47 +/- 0.52   2.656% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  24.58 +/- 2.89   0.053% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB3   SER   37  10.16 +/- 2.47   2.482% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.98 +/- 1.49   0.044% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.72 +/- 4.98   0.356% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.17 +/- 2.95   0.186% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  16.37 +/- 4.89   0.722% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.24 +/- 4.99   0.118% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.56 +/- 3.62   0.099% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  22.37 +/- 4.70   0.183% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  20.80 +/- 5.74   0.120% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.63 +/- 3.16   0.117% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  25.77 +/- 4.87   0.063% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.64 +/- 2.84   0.042% *  0.0149% (0.23   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 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 = 0.879, support = 3.26, residual support = 45.9:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.77 +/- 0.21  55.722% * 70.8449% (1.00  10.0 10.00   3.08  45.47) =  80.195%  kept
      O T HG2   MET   11 - HA    MET   11   3.45 +/- 0.58  35.063% * 27.7398% (0.39  10.0 10.00   4.00  47.69) =  19.759%  kept
        T HG2   MET   11 - HA    GLU-  14   9.80 +/- 1.86   2.434% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.035%
        T HB2   GLU-  14 - HA    MET   11   9.81 +/- 1.47   1.639% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.009%
          QB    GLN   32 - HA    GLU-  14  14.98 +/- 4.72   3.037% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    GLU-  14  15.77 +/- 5.99   0.748% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.51 +/- 5.29   0.075% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  25.24 +/- 4.20   0.094% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  31.17 +/- 3.95   0.043% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  17.49 +/- 4.36   0.679% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  22.15 +/- 5.73   0.234% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.56 +/- 3.77   0.071% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.97 +/- 6.24   0.042% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.19 +/- 5.38   0.054% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  37.48 +/- 4.23   0.025% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.16 +/- 3.76   0.039% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.87, support = 3.45, residual support = 41.3:
    * O T QG    GLU-  14 - HA    GLU-  14   2.38 +/- 0.41  44.177% * 45.0668% (1.00  10.0 10.00   3.60  45.47) =  73.348%  kept
      O T QB    MET   11 - HA    MET   11   2.34 +/- 0.15  43.902% * 10.0127% (0.22  10.0 10.00   3.37  47.69) =  16.195%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.97 +/- 0.89   6.507% * 43.4925% (0.97   1.0 10.00   2.53   1.69) =  10.426%  kept
        T QB    MET   11 - HA    GLU-  14   8.64 +/- 1.40   1.275% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.012%
        T QG    GLU-  14 - HA    MET   11   8.64 +/- 1.38   1.391% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  15 - HA    MET   11  11.14 +/- 2.08   1.065% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   ASP-  44 - HA    GLU-  14  19.95 +/- 4.06   0.104% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    GLU-  14  15.53 +/- 4.66   0.253% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  14.93 +/- 4.50   0.812% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.51 +/- 3.40   0.037% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  23.14 +/- 4.19   0.073% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.82 +/- 3.30   0.071% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  29.33 +/- 3.68   0.028% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  17.76 +/- 4.36   0.218% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  30.16 +/- 5.10   0.036% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  34.05 +/- 3.38   0.016% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.82 +/- 3.13   0.023% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  37.01 +/- 3.09   0.013% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.917, support = 3.16, residual support = 45.2:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.77 +/- 0.21  47.441% * 80.7243% (1.00  10.0 10.00   3.08  45.47) =  89.730%  kept
      O T HA    MET   11 - HG2   MET   11   3.45 +/- 0.58  30.266% * 12.4277% (0.15  10.0 10.00   4.00  47.69) =   8.813%  kept
          HA    ALA   12 - HG2   MET   11   4.72 +/- 0.90  13.027% *  4.3278% (0.37   1.0  1.00   2.92  12.07) =   1.321%  kept
          HA    ALA   12 - HB2   GLU-  14   7.42 +/- 1.11   3.536% *  1.3209% (0.98   1.0  1.00   0.33   0.02) =   0.109%  kept
        T HA    GLU-  14 - HG2   MET   11   9.80 +/- 1.86   2.082% *  0.3023% (0.37   1.0 10.00   0.02   0.02) =   0.015%
        T HA    MET   11 - HB2   GLU-  14   9.81 +/- 1.47   1.402% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.011%
        T HA    GLU-  14 - HB2   ARG+  54  28.51 +/- 5.29   0.064% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  24.20 +/- 3.53   0.086% *  0.0646% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  21.37 +/- 2.98   0.115% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  32.03 +/- 4.72   0.036% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  13.95 +/- 2.19   0.580% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.97 +/- 6.24   0.036% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  22.99 +/- 2.64   0.091% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.11 +/- 3.07   0.059% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.24 +/- 1.96   0.372% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  30.47 +/- 4.89   0.049% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.52 +/- 2.27   0.076% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  32.50 +/- 3.86   0.031% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  25.56 +/- 2.98   0.077% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.74 +/- 5.43   0.024% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.53 +/- 2.70   0.047% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.87 +/- 5.74   0.045% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.00 +/- 2.38   0.107% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  32.35 +/- 4.24   0.033% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.06 +/- 3.83   0.049% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  32.30 +/- 4.12   0.034% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.38 +/- 2.87   0.089% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.31 +/- 4.80   0.021% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  22.18 +/- 2.33   0.104% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  38.56 +/- 4.34   0.020% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.868, support = 3.17, residual support = 40.0:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.39 +/- 0.14  40.440% * 45.4322% (1.00  10.0 10.00   3.29  45.47) =  70.628%  kept
      O T QB    MET   11 - HG2   MET   11   2.33 +/- 0.13  43.486% *  9.6322% (0.21  10.0 10.00   3.31  47.69) =  16.102%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.48 +/- 0.97   7.854% * 43.8452% (0.97   1.0 10.00   2.31   1.69) =  13.238%  kept
        T QB    MET   11 - HB2   GLU-  14   8.93 +/- 1.47   1.442% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.014%
        T QG    GLU-  14 - HG2   MET   11   8.77 +/- 1.98   1.822% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.012%
        T QG    GLU-  15 - HG2   MET   11  11.65 +/- 2.03   0.524% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HB2   GLU-  14  13.78 +/- 4.93   1.804% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  15.30 +/- 4.56   0.243% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.68 +/- 1.76   0.207% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  19.85 +/- 3.48   0.089% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.19 +/- 4.49   0.056% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.68 +/- 4.92   0.051% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.23 +/- 2.92   0.490% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.29 +/- 4.22   0.087% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  17.97 +/- 4.92   0.409% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.63 +/- 2.78   0.219% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.91 +/- 3.21   0.027% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.43 +/- 3.66   0.062% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.74 +/- 4.73   0.152% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.36 +/- 5.23   0.026% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.00 +/- 3.31   0.032% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  13.46 +/- 3.07   0.354% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.73 +/- 4.62   0.025% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  34.35 +/- 3.48   0.015% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.59 +/- 2.66   0.020% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.82 +/- 4.69   0.051% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  37.45 +/- 2.78   0.011% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.894, support = 3.46, residual support = 41.1:
    * O T HA    GLU-  14 - QG    GLU-  14   2.38 +/- 0.41  39.943% * 48.1422% (1.00  10.0 10.00   3.60  45.47) =  78.873%  kept
      O T HA    MET   11 - QB    MET   11   2.34 +/- 0.15  39.602% *  6.4229% (0.13  10.0 10.00   3.37  47.69) =  10.433%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.97 +/- 0.89   5.841% * 42.3579% (0.88   1.0 10.00   2.53   1.69) =  10.149%  kept
          HA    ALA   12 - QB    MET   11   4.22 +/- 0.24   7.061% *  1.7681% (0.32   1.0  1.00   2.31  12.07) =   0.512%  kept
        T HA    MET   11 - QG    GLU-  14   8.64 +/- 1.38   1.255% *  0.1979% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T HA    GLU-  14 - QB    MET   11   8.64 +/- 1.40   1.148% *  0.1562% (0.32   1.0 10.00   0.02   0.02) =   0.007%
        T HA    MET   11 - QG    GLU-  15  11.14 +/- 2.08   0.944% *  0.1741% (0.36   1.0 10.00   0.02   0.02) =   0.007%
          HA    ALA   12 - QG    GLU-  14   6.73 +/- 0.87   1.956% *  0.0472% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   12 - QG    GLU-  15   9.15 +/- 1.40   1.267% *  0.0415% (0.86   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QG    GLU-  14  18.89 +/- 3.39   0.101% *  0.1807% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  18.68 +/- 3.22   0.095% *  0.1590% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  104 - QG    GLU-  15  19.67 +/- 3.34   0.105% *  0.0339% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  21.88 +/- 3.11   0.076% *  0.0385% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.39 +/- 2.45   0.034% *  0.0586% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  28.42 +/- 4.85   0.029% *  0.0477% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  29.15 +/- 5.28   0.025% *  0.0420% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.11 +/- 3.07   0.093% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.69 +/- 2.54   0.074% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.03 +/- 3.51   0.052% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  27.28 +/- 4.49   0.047% *  0.0125% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  24.01 +/- 2.66   0.042% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  28.76 +/- 4.17   0.026% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  29.80 +/- 4.39   0.022% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  33.84 +/- 4.70   0.017% *  0.0155% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  28.70 +/- 4.34   0.027% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  29.01 +/- 5.09   0.026% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.04 +/- 3.45   0.037% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  28.83 +/- 3.82   0.026% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.29 +/- 4.25   0.016% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  34.52 +/- 3.96   0.015% *  0.0021% (0.04   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 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 = 0.853, support = 3.2, residual support = 42.0:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.36 +/- 0.14  46.103% * 45.1588% (1.00  10.0 10.00   3.29  45.47) =  71.486%  kept
      O T HG3   MET   11 - QB    MET   11   2.45 +/- 0.12  41.302% * 13.8631% (0.31  10.0 10.00   3.31  47.69) =  19.660%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.27 +/- 0.93   6.446% * 39.7329% (0.88   1.0 10.00   2.18   1.69) =   8.795%  kept
        T HG3   MET   11 - QG    GLU-  14   8.93 +/- 2.47   2.965% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.043%
        T HG3   MET   11 - QG    GLU-  15  11.92 +/- 2.58   0.668% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   GLU-  14 - QB    MET   11   8.77 +/- 1.39   1.176% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LEU   40 - QG    GLU-  15  13.46 +/- 4.09   0.505% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.07 +/- 3.90   0.237% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.79 +/- 3.06   0.097% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.55 +/- 2.84   0.082% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.80 +/- 2.97   0.035% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  27.01 +/- 3.38   0.036% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.55 +/- 3.69   0.079% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.92 +/- 3.75   0.089% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.55 +/- 3.64   0.083% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.61 +/- 2.48   0.034% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.71 +/- 4.93   0.044% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.18 +/- 2.64   0.017% *  0.0023% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.22, residual support = 8.74:
    * O T QG    GLU-  15 - HA    GLU-  15   2.52 +/- 0.56  63.563% * 49.8424% (1.00  10.0 10.00   2.13  10.25) =  82.293%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.95 +/- 0.75  14.133% * 48.1014% (0.97   1.0 10.00   2.63   1.69) =  17.659%  kept
        T QG    GLU-  14 - HA    ASN   35  15.45 +/- 4.70   4.232% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.010%
        T QB    MET   11 - HA    GLU-  15  11.45 +/- 1.22   1.015% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.010%
        T QG    GLU-  15 - HA    LEU   40  13.26 +/- 3.71   0.758% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  14 - HA    LEU   40  15.71 +/- 3.64   0.684% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PHE   72 - HA    LEU   40   7.97 +/- 2.52   5.718% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HA    ASN   35  13.10 +/- 4.20   0.846% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    GLU-  15  12.94 +/- 5.05   1.146% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    LEU   40  21.08 +/- 3.17   0.177% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASN   35  19.24 +/- 4.84   0.501% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  12.98 +/- 0.77   0.733% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU-  15  14.09 +/- 4.07   2.252% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  18.15 +/- 3.88   0.324% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  14.57 +/- 2.89   0.583% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  20.41 +/- 4.00   0.374% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  13.00 +/- 2.13   0.713% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  23.60 +/- 1.88   0.110% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.15 +/- 1.52   0.456% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  28.39 +/- 3.53   0.061% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.85 +/- 0.67   0.211% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.37 +/- 0.96   0.826% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  20.79 +/- 2.94   0.244% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  22.70 +/- 1.80   0.142% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  29.15 +/- 3.35   0.073% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  27.45 +/- 2.52   0.060% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.13 +/- 1.86   0.064% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.06, residual support = 9.91:
    * O T QB    GLU-  15 - HA    GLU-  15   2.40 +/- 0.14  58.244% * 71.5925% (1.00  10.0 10.00   3.14  10.25) =  96.608%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.60 +/- 0.87   5.659% * 25.5158% (1.00   1.0 10.00   0.71   0.02) =   3.346%  kept
        T HB3   PRO   68 - HA    GLU-  15  13.73 +/- 6.40   1.288% *  0.5733% (0.80   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   PRO   68 - HA    LEU   40  13.36 +/- 2.96   0.902% *  0.4636% (0.65   1.0 10.00   0.02   0.02) =   0.010%
        T QB    GLU-  15 - HA    LEU   40  13.95 +/- 3.42   0.502% *  0.5790% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   GLN   17 - HA    LEU   40  16.27 +/- 3.43   0.246% *  0.5790% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HA    GLU-  15   8.05 +/- 1.46   2.008% *  0.0405% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HA    ASN   35   6.88 +/- 3.38  17.035% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU-  15  14.37 +/- 5.46   1.168% *  0.0348% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    LEU   40   8.05 +/- 2.11   2.515% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    LEU   40  12.56 +/- 3.29   1.031% *  0.0282% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LEU   40  12.25 +/- 3.19   0.741% *  0.0328% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  15  11.46 +/- 2.99   0.806% *  0.0294% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    LEU   40  11.45 +/- 1.86   0.882% *  0.0238% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  18.10 +/- 3.26   0.246% *  0.0677% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.34 +/- 1.63   0.925% *  0.0101% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.86 +/- 5.19   0.178% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  12.09 +/- 2.94   0.639% *  0.0125% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  16.88 +/- 2.34   0.201% *  0.0375% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.93 +/- 3.84   0.481% *  0.0133% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.89 +/- 1.69   0.110% *  0.0548% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  17.86 +/- 3.30   0.521% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  22.20 +/- 2.17   0.079% *  0.0574% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  29.47 +/- 5.38   0.058% *  0.0710% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.02 +/- 1.34   0.725% *  0.0055% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.83 +/- 3.09   0.396% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.08 +/- 2.92   0.279% *  0.0101% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  19.05 +/- 3.76   0.168% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.49 +/- 3.20   0.399% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  18.18 +/- 3.34   0.191% *  0.0133% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35   9.95 +/- 1.11   0.908% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.43 +/- 1.19   0.136% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  21.91 +/- 4.24   0.127% *  0.0125% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  22.37 +/- 2.62   0.080% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  28.36 +/- 2.51   0.038% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  22.21 +/- 2.84   0.089% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.979, support = 2.21, residual support = 8.84:
    * O T HA    GLU-  15 - QG    GLU-  15   2.52 +/- 0.56  48.408% * 48.5732% (1.00  10.0 10.00   2.13  10.25) =  82.303%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.95 +/- 0.75  10.181% * 42.7371% (0.88   1.0 10.00   2.63   1.69) =  15.230%  kept
          HA    SER   13 - QG    GLU-  14   4.89 +/- 0.65  11.086% *  5.4373% (0.88   1.0  1.00   2.54   6.63) =   2.110%  kept
          HA    SER   13 - QG    GLU-  15   6.61 +/- 1.19   5.708% *  1.5589% (1.00   1.0  1.00   0.64   0.02) =   0.311%  kept
        T HA    ASN   35 - QG    GLU-  14  15.45 +/- 4.70   2.939% *  0.0951% (0.20   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LEU   40 - QG    GLU-  15  13.26 +/- 3.71   0.569% *  0.4595% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HA    LEU   40 - QG    GLU-  14  15.71 +/- 3.64   0.486% *  0.4043% (0.83   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLN   17 - QG    GLU-  15   6.95 +/- 0.75   5.357% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLU-  15 - QB    MET   11  11.45 +/- 1.22   0.729% *  0.1171% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  14   7.23 +/- 1.11   3.350% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QG    GLU-  15  11.36 +/- 5.79   2.432% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASN   35 - QG    GLU-  15  13.10 +/- 4.20   0.618% *  0.1081% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    MET   11   6.60 +/- 0.69   3.873% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - QG    GLU-  14  14.44 +/- 5.19   0.698% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - QB    MET   11  21.08 +/- 3.17   0.129% *  0.1108% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  19.24 +/- 4.84   0.379% *  0.0261% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  19.89 +/- 3.51   0.147% *  0.0485% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  20.29 +/- 3.49   0.151% *  0.0426% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  18.62 +/- 3.97   0.230% *  0.0166% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  21.34 +/- 4.06   0.218% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  14.31 +/- 1.86   0.478% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  22.74 +/- 3.44   0.099% *  0.0314% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  22.07 +/- 3.57   0.106% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  17.78 +/- 4.97   0.398% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  15.97 +/- 3.38   0.309% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.31 +/- 3.14   0.229% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  23.25 +/- 3.54   0.107% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  23.61 +/- 3.38   0.096% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  26.48 +/- 4.48   0.079% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  27.02 +/- 4.96   0.216% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  28.33 +/- 2.92   0.042% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  30.13 +/- 4.40   0.054% *  0.0029% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.19 +/- 3.58   0.099% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.13, residual support = 84.6:
    * O T HB2   GLN   17 - HA    GLN   17   2.69 +/- 0.23  75.558% * 89.7167% (1.00  10.0 10.00   4.16  85.30) =  99.190%  kept
        T QB    GLU-  15 - HA    GLN   17   6.73 +/- 0.25   5.268% *  9.1503% (1.00   1.0 10.00   0.20   0.02) =   0.705%  kept
        T HB3   PRO   68 - HA    GLN   17  11.83 +/- 7.84   9.384% *  0.7184% (0.80   1.0 10.00   0.02   0.02) =   0.099%
          HB    ILE   19 - HA    GLN   17   8.19 +/- 0.58   3.021% *  0.0508% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    GLN   17  12.45 +/- 6.89   3.016% *  0.0437% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HA    GLN   17  18.56 +/- 3.59   0.511% *  0.0849% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLN   17  12.90 +/- 2.84   1.018% *  0.0369% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    GLN   17  21.63 +/- 5.12   0.483% *  0.0580% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  26.51 +/- 5.46   0.161% *  0.0889% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.41 +/- 2.46   0.760% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  18.90 +/- 4.53   0.620% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  21.28 +/- 3.67   0.200% *  0.0200% (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 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   2.64 +/- 0.54  90.786% * 98.5118% (0.76  10.0 10.00   4.31  85.30) =  99.914%  kept
        T HB    VAL   70 - HA    GLN   17  11.40 +/- 6.60   6.987% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.084%
          HB2   MET   96 - HA    GLN   17  19.33 +/- 4.81   0.500% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLN   17  17.96 +/- 3.84   0.466% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  19.56 +/- 6.71   0.498% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  20.56 +/- 3.79   0.403% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  21.22 +/- 4.66   0.359% *  0.0440% (0.34   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 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.201, support = 3.63, residual support = 49.7:
    * O T HA    GLN   17 - HB2   GLN   17   2.69 +/- 0.23  32.033% * 52.0226% (0.24  10.0 10.00   4.16  85.30) =  52.806%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.40 +/- 0.14  43.350% * 33.0589% (0.15  10.0 10.00   3.14  10.25) =  45.412%  kept
        T HA    GLU-  15 - HB2   GLN   17   5.60 +/- 0.87   4.494% * 10.4971% (0.14   1.0 10.00   0.71   0.02) =   1.495%  kept
        T HA    GLN   17 - HB3   PRO   68  11.83 +/- 7.84   4.787% *  1.3052% (0.61   1.0 10.00   0.02   0.02) =   0.198%  kept
        T HA    GLN   17 - QB    GLU-  15   6.73 +/- 0.25   1.984% *  0.5839% (0.27   1.0 10.00   0.02   0.02) =   0.037%
        T HA    GLU-  15 - HB3   PRO   68  13.73 +/- 6.40   0.883% *  0.7390% (0.34   1.0 10.00   0.02   0.02) =   0.021%
        T HA    LEU   40 - HB3   PRO   68  13.36 +/- 2.96   0.657% *  0.4899% (0.23   1.0 10.00   0.02   0.02) =   0.010%
          HA    SER   37 - HB3   PRO   68  16.70 +/- 4.33   1.173% *  0.1305% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          HA    SER   13 - QB    GLU-  15   5.98 +/- 0.79   3.250% *  0.0331% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QB    GLU-  15  12.14 +/- 5.22   1.829% *  0.0584% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB2   GLN   17   8.91 +/- 1.94   3.134% *  0.0295% (0.14   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LEU   40 - QB    GLU-  15  13.95 +/- 3.42   0.377% *  0.2192% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU   40 - HB2   GLN   17  16.27 +/- 3.43   0.179% *  0.1952% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  14.34 +/- 2.25   0.287% *  0.0792% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   PRO   68  17.35 +/- 5.78   0.226% *  0.0739% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   68  19.31 +/- 3.34   0.123% *  0.1294% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   GLN   17  17.35 +/- 5.06   0.306% *  0.0520% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   PRO   68  16.01 +/- 1.99   0.175% *  0.0687% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  16.33 +/- 3.08   0.177% *  0.0354% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  16.64 +/- 3.94   0.177% *  0.0316% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  21.07 +/- 5.06   0.088% *  0.0516% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  17.96 +/- 4.03   0.154% *  0.0274% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  22.98 +/- 3.36   0.055% *  0.0579% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  19.91 +/- 3.51   0.100% *  0.0307% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.204, support = 4.22, residual support = 79.3:
    * O T QG    GLN   17 - HB2   GLN   17   2.39 +/- 0.11  78.370% * 38.2410% (0.18  10.0 10.00   4.48  85.30) =  92.917%  kept
        T HB    VAL   70 - HB3   PRO   68   7.16 +/- 0.90   3.671% * 52.0964% (0.51   1.0 10.00   0.99   1.03) =   5.930%  kept
        T QG    GLN   17 - QB    GLU-  15   5.69 +/- 0.78   7.083% *  4.3777% (0.21   1.0 10.00   0.20   0.02) =   0.961%  kept
        T QG    GLN   17 - HB3   PRO   68  11.86 +/- 6.71   4.252% *  0.9595% (0.46   1.0 10.00   0.02   0.02) =   0.126%  kept
        T HB    VAL   70 - HB2   GLN   17  12.68 +/- 5.50   1.182% *  0.4180% (0.20   1.0 10.00   0.02   0.02) =   0.015%
        T HB    VAL   70 - QB    GLU-  15  12.85 +/- 4.32   0.966% *  0.4691% (0.23   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   GLU-  25 - HB2   GLN   17  16.95 +/- 4.63   0.990% *  0.3237% (0.16   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   GLU- 100 - HB3   PRO   68  19.24 +/- 4.21   0.382% *  0.8122% (0.39   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   GLU-  25 - QB    GLU-  15  16.89 +/- 2.96   0.416% *  0.3633% (0.18   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   GLU- 100 - QB    GLU-  15  17.16 +/- 3.79   0.364% *  0.3633% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  25 - HB3   PRO   68  23.52 +/- 4.30   0.126% *  0.8122% (0.39   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   GLU- 100 - HB2   GLN   17  21.11 +/- 3.35   0.139% *  0.3237% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   PRO   68  18.02 +/- 2.53   0.254% *  0.1244% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   PRO   68  19.08 +/- 3.38   0.427% *  0.0711% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - QB    GLU-  15  19.62 +/- 3.08   0.179% *  0.0557% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  19.48 +/- 3.24   0.200% *  0.0428% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  19.96 +/- 3.65   0.164% *  0.0496% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  19.21 +/- 6.52   0.256% *  0.0283% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  21.01 +/- 3.88   0.288% *  0.0192% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  21.08 +/- 3.97   0.141% *  0.0318% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  22.33 +/- 3.69   0.149% *  0.0171% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 4.3, residual support = 85.0:
    * O T HA    GLN   17 - QG    GLN   17   2.64 +/- 0.54  56.594% * 98.3798% (0.76  10.0 10.00   4.31  85.30) =  99.602%  kept
          HA    GLU-  15 - QG    GLN   17   5.00 +/- 1.18  22.634% *  0.9254% (0.43   1.0  1.00   0.33   0.02) =   0.375%  kept
        T HA    GLN   17 - HB    VAL   70  11.40 +/- 6.60   3.855% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.014%
          HA    SER   13 - QG    GLN   17   8.11 +/- 1.94   4.011% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   37 - QG    GLN   17  15.71 +/- 4.90   0.617% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    VAL   70   7.87 +/- 2.52   4.152% *  0.0122% (0.09   1.0  1.00   0.02   0.60) =   0.001%
          HA    VAL   42 - QG    GLN   17  15.29 +/- 4.27   0.616% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG    GLN   17  19.13 +/- 5.05   0.284% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.94 +/- 3.79   0.713% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  16.48 +/- 4.07   0.446% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   8.21 +/- 2.80   2.959% *  0.0076% (0.06   1.0  1.00   0.02  35.76) =   0.000%
          HA    GLU-  15 - HB    VAL   70  13.09 +/- 4.88   1.369% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  14.32 +/- 2.80   0.489% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  15.54 +/- 2.08   0.405% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.50 +/- 1.32   0.567% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  17.92 +/- 4.05   0.287% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.763, support = 4.47, residual support = 85.2:
    * O T HB2   GLN   17 - QG    GLN   17   2.39 +/- 0.11  65.288% * 95.9708% (0.76  10.0 10.00   4.48  85.30) =  99.836%  kept
        T QB    GLU-  15 - QG    GLN   17   5.69 +/- 0.78   5.909% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.090%
        T HB3   PRO   68 - QG    GLN   17  11.86 +/- 6.71   3.553% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.044%
        T HB3   GLU-  25 - QG    GLN   17  15.72 +/- 3.52   0.578% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   PRO   68 - HB    VAL   70   7.16 +/- 0.90   3.049% *  0.1574% (0.13   1.0 10.00   0.02   1.03) =   0.008%
          HB    ILE   19 - QG    GLN   17   7.33 +/- 1.54   3.912% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLN   17 - HB    VAL   70  12.68 +/- 5.50   0.985% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.003%
        T QB    GLU-  15 - HB    VAL   70  12.85 +/- 4.32   0.805% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG    GLN   17  12.55 +/- 5.88   1.559% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB    VAL   70   6.57 +/- 1.51   5.980% *  0.0096% (0.08   1.0  1.00   0.02   1.03) =   0.001%
          HG3   GLN   30 - QG    GLN   17  11.36 +/- 3.04   0.907% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU- 100 - QG    GLN   17  19.71 +/- 3.33   0.142% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  20.19 +/- 2.39   0.127% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  15.91 +/- 3.09   1.836% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.93 +/- 4.45   1.604% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  20.72 +/- 4.55   0.256% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  15.93 +/- 3.63   0.348% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  12.01 +/- 2.73   0.687% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  25.18 +/- 4.87   0.097% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.88 +/- 2.37   0.603% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  18.72 +/- 3.89   0.266% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.40 +/- 2.55   0.136% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.20 +/- 1.89   0.749% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.31 +/- 3.15   0.625% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.8:
    * O T HB    VAL   18 - HA    VAL   18   2.57 +/- 0.24  91.045% * 99.6862% (1.00  10.0 10.00   3.55  76.76) =  99.992%  kept
          HB2   LEU   67 - HA    VAL   18  10.06 +/- 6.31   6.353% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   40 - HA    VAL   18  13.64 +/- 4.06   1.199% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  18.40 +/- 3.88   0.593% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  18.93 +/- 4.21   0.516% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  21.10 +/- 4.94   0.295% *  0.0894% (0.90   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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.6:
    * O T QG1   VAL   18 - HA    VAL   18   2.39 +/- 0.31  83.161% * 97.0069% (1.00  10.0 10.00   4.11  76.76) =  99.793%  kept
          QD1   LEU   71 - HA    VAL   18   9.92 +/- 5.85   4.941% *  1.8281% (0.84   1.0  1.00   0.45   0.02) =   0.112%  kept
        T QG1   VAL   70 - HA    VAL   18   9.06 +/- 4.44   7.797% *  0.9509% (0.98   1.0 10.00   0.02   0.02) =   0.092%
          QD1   LEU  123 - HA    VAL   18  14.08 +/- 2.92   1.569% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    VAL   18  11.39 +/- 4.44   1.884% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HA    VAL   18  17.91 +/- 4.10   0.462% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  20.60 +/- 3.57   0.186% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.986, support = 4.12, residual support = 74.0:
    * O T QG2   VAL   18 - HA    VAL   18   2.96 +/- 0.39  67.634% * 85.3614% (1.00  10.0 10.00   4.11  76.76) =  94.890%  kept
          QD1   ILE   19 - HA    VAL   18   4.84 +/- 0.81  23.137% * 13.3215% (0.73   1.0  1.00   4.30  22.86) =   5.066%  kept
        T QG1   VAL   41 - HA    VAL   18  10.77 +/- 4.18   2.759% *  0.6524% (0.76   1.0 10.00   0.02   0.02) =   0.030%
        T QD2   LEU  104 - HA    VAL   18  15.11 +/- 3.17   1.056% *  0.4833% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   43 - HA    VAL   18  11.89 +/- 4.95   2.572% *  0.0788% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HA    VAL   18  13.53 +/- 5.41   1.647% *  0.0837% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   18  12.39 +/- 1.82   1.195% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.8:
    * O T HA    VAL   18 - HB    VAL   18   2.57 +/- 0.24  94.183% * 99.3791% (1.00  10.0 10.00   3.55  76.76) =  99.996%  kept
          HA    VAL   70 - HB    VAL   18  11.90 +/- 6.18   2.957% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    VAL   18  16.11 +/- 2.18   0.614% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   18  17.05 +/- 2.84   0.490% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  19.17 +/- 7.26   0.450% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  18.38 +/- 4.40   0.445% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  25.04 +/- 8.42   0.166% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  17.71 +/- 1.78   0.343% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  20.86 +/- 4.98   0.239% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  27.32 +/- 6.97   0.112% *  0.0484% (0.49   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 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 = 76.8:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.01  91.602% * 99.5994% (1.00  10.0 10.00   3.43  76.76) =  99.992%  kept
          QG1   VAL   70 - HB    VAL   18   9.78 +/- 4.97   4.114% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   63 - HB    VAL   18  11.16 +/- 5.32   1.778% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB    VAL   18  11.57 +/- 5.84   1.400% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB    VAL   18  14.22 +/- 2.93   0.726% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   18  19.23 +/- 4.46   0.255% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  20.75 +/- 4.13   0.125% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.24, residual support = 76.5:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.01  92.600% * 86.8233% (1.00  10.0 10.00   3.24  76.76) =  99.451%  kept
          QD1   ILE   19 - HB    VAL   18   6.63 +/- 0.76   3.672% * 11.8371% (0.73   1.0  1.00   3.76  22.86) =   0.538%  kept
        T QG1   VAL   41 - HB    VAL   18  12.28 +/- 4.34   0.819% *  0.6635% (0.76   1.0 10.00   0.02   0.02) =   0.007%
        T QD2   LEU  104 - HB    VAL   18  16.31 +/- 3.44   0.375% *  0.4916% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   18  12.82 +/- 6.39   1.157% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB    VAL   18  12.58 +/- 5.45   0.998% *  0.0801% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   18  14.00 +/- 1.88   0.379% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 76.7:
    * O T HA    VAL   18 - QG1   VAL   18   2.39 +/- 0.31  92.602% * 97.2871% (1.00  10.0 10.00   4.11  76.76) =  99.965%  kept
        T HA    VAL   70 - QG1   VAL   18  10.16 +/- 4.67   3.052% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.023%
        T HA    SER   48 - QG1   VAL   18  15.35 +/- 6.11   0.768% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   SER   82 - QG1   VAL   18  19.65 +/- 7.57   0.346% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG1   VAL   18  12.60 +/- 1.15   0.676% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   18  13.56 +/- 2.06   0.613% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   18  15.23 +/- 3.03   0.724% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG1   VAL   18  14.02 +/- 1.16   0.543% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  16.85 +/- 4.01   0.470% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  21.66 +/- 6.17   0.206% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.6:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.01  89.535% * 97.8666% (1.00  10.0 10.00   3.43  76.76) =  99.814%  kept
          HB2   LEU   67 - QG1   VAL   18   8.79 +/- 5.53   8.494% *  1.9131% (0.90   1.0  1.00   0.44   0.02) =   0.185%  kept
          HB3   ARG+  54 - QG1   VAL   18  16.33 +/- 4.18   0.439% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  12.48 +/- 3.15   0.729% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  14.68 +/- 3.27   0.423% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  15.28 +/- 3.37   0.380% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 4.0, residual support = 76.1:
    * O T QG2   VAL   18 - QG1   VAL   18   2.02 +/- 0.05  85.998% * 85.3070% (1.00  10.0 10.00   4.00  76.76) =  98.732%  kept
          QD1   ILE   19 - QG1   VAL   18   5.05 +/- 0.56   6.925% * 13.3767% (0.73   1.0  1.00   4.32  22.86) =   1.247%  kept
        T QG1   VAL   41 - QG1   VAL   18   9.63 +/- 3.63   1.424% *  0.6519% (0.76   1.0 10.00   0.02   0.02) =   0.012%
        T QD2   LEU  104 - QG1   VAL   18  12.96 +/- 2.85   0.614% *  0.4830% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   46 - QG1   VAL   18  10.02 +/- 5.42   2.155% *  0.0836% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QG1   VAL   18   9.58 +/- 4.73   2.167% *  0.0787% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  10.71 +/- 1.75   0.716% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.1, residual support = 76.6:
    * O T HA    VAL   18 - QG2   VAL   18   2.96 +/- 0.39  55.213% * 94.7997% (1.00  10.0 10.00   4.11  76.76) =  99.729%  kept
          HA    LYS+  33 - QG1   VAL   41   8.29 +/- 1.26   3.360% *  3.2627% (0.72   1.0  1.00   0.95   0.02) =   0.209%  kept
        T HA    VAL   18 - QG1   VAL   41  10.77 +/- 4.18   2.235% *  0.7245% (0.76   1.0 10.00   0.02   0.02) =   0.031%
          HA    VAL   70 - QG1   VAL   41   6.53 +/- 1.83   9.178% *  0.0498% (0.52   1.0  1.00   0.02   2.63) =   0.009%
          HA    VAL   70 - QG2   VAL   18  10.48 +/- 4.29   2.850% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN   32 - QG1   VAL   41   7.90 +/- 2.01   4.989% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - QG1   VAL   41   9.88 +/- 2.15   2.221% *  0.0723% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   18 - QD2   LEU  104  15.11 +/- 3.17   0.832% *  0.1457% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - QG2   VAL   18  13.44 +/- 2.16   0.995% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - QG2   VAL   18  15.15 +/- 5.51   0.992% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   18  14.48 +/- 2.23   0.740% *  0.0897% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QD2   LEU  104  10.97 +/- 2.81   5.989% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   18  15.45 +/- 3.60   0.559% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  17.36 +/- 3.79   0.498% *  0.0718% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  20.36 +/- 6.45   0.305% *  0.0940% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   41  14.95 +/- 1.52   0.522% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  12.06 +/- 2.43   1.683% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  15.07 +/- 1.60   0.516% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  11.15 +/- 2.83   1.931% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  13.68 +/- 3.11   1.283% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  18.83 +/- 1.60   0.266% *  0.0526% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  16.77 +/- 3.69   0.477% *  0.0264% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  19.56 +/- 3.14   0.296% *  0.0353% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  22.36 +/- 5.18   0.184% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.27 +/- 2.25   0.648% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  19.37 +/- 4.82   0.401% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  19.94 +/- 0.97   0.196% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  21.40 +/- 2.78   0.208% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  20.06 +/- 3.45   0.257% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.22 +/- 2.00   0.178% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.24, residual support = 76.5:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.01  67.562% * 92.8729% (1.00  10.0 10.00   3.24  76.76) =  99.521%  kept
          HB2   LEU   40 - QG1   VAL   41   5.12 +/- 0.32   4.931% *  5.7382% (0.26   1.0  1.00   4.74  20.98) =   0.449%  kept
          HB2   LEU   67 - QG2   VAL   18   8.67 +/- 5.31  12.889% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.017%
        T HB    VAL   18 - QG1   VAL   41  12.28 +/- 4.34   0.592% *  0.7098% (0.76   1.0 10.00   0.02   0.02) =   0.007%
          HB2   LEU   67 - QG1   VAL   41   9.84 +/- 2.47   3.686% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T HB    VAL   18 - QD2   LEU  104  16.31 +/- 3.44   0.276% *  0.1427% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD2   LEU  104   7.27 +/- 1.72   6.815% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QG2   VAL   18  16.02 +/- 4.29   0.370% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  15.68 +/- 3.59   0.424% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  14.48 +/- 3.63   0.433% *  0.0452% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  14.35 +/- 2.04   0.363% *  0.0373% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  13.15 +/- 2.77   0.424% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  20.04 +/- 2.83   0.105% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  13.99 +/- 3.13   0.377% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  17.80 +/- 1.81   0.139% *  0.0345% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  13.92 +/- 1.54   0.267% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  18.41 +/- 4.04   0.246% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  21.57 +/- 3.36   0.102% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.97, support = 4.03, residual support = 80.9:
    * O T QG1   VAL   18 - QG2   VAL   18   2.02 +/- 0.05  44.165% * 90.5760% (1.00  10.0 10.00   4.00  76.76) =  96.679%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.85 +/- 0.41  18.934% *  6.7747% (0.07  10.0 10.00   5.34 215.45) =   3.100%  kept
          QD1   LEU   71 - QG1   VAL   41   5.36 +/- 1.73  10.220% *  0.4837% (0.64   1.0  1.00   0.17   2.81) =   0.119%  kept
        T HB3   LEU  104 - QG1   VAL   41   7.25 +/- 2.00   7.651% *  0.3369% (0.37   1.0 10.00   0.02   0.02) =   0.062%
          QG1   VAL   70 - QG1   VAL   41   6.57 +/- 1.67   7.911% *  0.0679% (0.75   1.0  1.00   0.02   2.63) =   0.013%
        T QG1   VAL   18 - QG1   VAL   41   9.63 +/- 3.63   0.754% *  0.6922% (0.76   1.0 10.00   0.02   0.02) =   0.013%
          QG1   VAL   70 - QG2   VAL   18   8.64 +/- 3.39   1.742% *  0.0888% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - QG2   VAL   18  12.08 +/- 2.94   1.411% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU  104 - QG2   VAL   18  16.48 +/- 3.38   0.146% *  0.4409% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QG2   VAL   18   9.91 +/- 4.25   0.829% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QG2   VAL   18   9.54 +/- 3.63   0.969% *  0.0622% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   18 - QD2   LEU  104  12.96 +/- 2.85   0.334% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD2   LEU  104   9.88 +/- 2.60   2.691% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG1   VAL   41  11.02 +/- 2.13   0.344% *  0.0475% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.11 +/- 2.05   0.259% *  0.0578% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   9.63 +/- 2.41   0.605% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  11.89 +/- 3.67   0.380% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  13.72 +/- 2.82   0.211% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.62 +/- 0.88   0.148% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  17.36 +/- 2.92   0.086% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.13 +/- 0.51   0.210% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 171.7:
    * O T HB    ILE   19 - HA    ILE   19   2.86 +/- 0.23  81.000% * 98.7896% (1.00  10.0 10.00   5.75 171.75) =  99.978%  kept
        T HB3   GLU-  25 - HA    ILE   19  13.16 +/- 2.25   1.049% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.010%
          HB2   GLN   17 - HA    ILE   19   5.90 +/- 0.54  10.019% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - HA    ILE   19   8.60 +/- 0.92   3.506% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    ILE   19  15.16 +/- 4.58   1.128% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    ILE   19  21.49 +/- 3.71   0.414% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    ILE   19  14.68 +/- 5.32   1.636% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.93 +/- 3.64   0.834% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  20.79 +/- 3.52   0.264% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  26.34 +/- 3.72   0.150% *  0.0481% (0.49   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 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.979, support = 6.14, residual support = 166.4:
    * O T HG12  ILE   19 - HA    ILE   19   3.52 +/- 0.42  62.883% * 85.2412% (1.00  10.0 10.00   6.31 171.75) =  96.768%  kept
        T HG    LEU   73 - HA    ILE   19   9.45 +/- 5.41  13.351% * 13.1832% (0.34   1.0 10.00   0.91   5.22) =   3.177%  kept
          HB3   LEU   67 - HA    ILE   19  12.07 +/- 5.35   3.636% *  0.3241% (0.73   1.0  1.00   0.10   0.02) =   0.021%
        T HG    LEU   80 - HA    ILE   19  19.02 +/- 8.63   1.065% *  0.8355% (0.98   1.0 10.00   0.02   0.02) =   0.016%
          HB3   LYS+  74 - HA    ILE   19   9.62 +/- 6.35  11.311% *  0.0483% (0.57   1.0  1.00   0.02   7.99) =   0.010%
          QB    ALA   61 - HA    ILE   19  12.23 +/- 2.11   1.999% *  0.0739% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HA    ILE   19  21.09 +/- 4.82   1.485% *  0.0517% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HA    ILE   19  13.70 +/- 3.62   1.491% *  0.0448% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ILE   19  19.11 +/- 8.20   0.980% *  0.0651% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ILE   19  21.87 +/- 2.72   0.335% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ILE   19  14.94 +/- 2.49   1.069% *  0.0263% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HA    ILE   19  21.33 +/- 3.65   0.395% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.07 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 171.6:
    * O T HG13  ILE   19 - HA    ILE   19   3.10 +/- 0.66  75.679% * 98.2804% (1.00  10.0 10.00   5.75 171.75) =  99.933%  kept
        T HG    LEU   71 - HA    ILE   19  11.54 +/- 5.82   3.757% *  0.8814% (0.90   1.0 10.00   0.02   0.45) =   0.044%
          HG2   LYS+  74 - HA    ILE   19  11.42 +/- 6.18   6.176% *  0.0907% (0.92   1.0  1.00   0.02   7.99) =   0.008%
          QG2   THR   39 - HA    ILE   19  10.67 +/- 4.64   5.673% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.006%
        T QG2   ILE   56 - HA    ILE   19  16.94 +/- 2.84   1.132% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   34 - HA    ILE   19   9.81 +/- 2.35   5.340% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    ILE   19  18.12 +/- 3.09   0.665% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    ILE   19  17.98 +/- 3.16   0.665% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  20.00 +/- 3.18   0.395% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  27.00 +/- 3.93   0.294% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  24.76 +/- 4.74   0.224% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.13 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.92, residual support = 160.9:
    *   T QD1   ILE   19 - HA    ILE   19   2.96 +/- 0.69  64.524% * 84.7177% (1.00 10.00   4.92 171.75) =  92.727%  kept
          QG2   VAL   18 - HA    ILE   19   4.39 +/- 0.57  28.479% * 15.0456% (0.73  1.00   4.89  22.86) =   7.268%  kept
          QG1   VAL   41 - HA    ILE   19  10.85 +/- 3.67   3.324% *  0.0261% (0.31  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    ILE   19  15.69 +/- 2.97   0.819% *  0.0818% (0.97  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    ILE   19  12.12 +/- 3.66   1.434% *  0.0412% (0.49  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    ILE   19  14.16 +/- 4.43   0.766% *  0.0708% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HA    ILE   19  14.48 +/- 2.62   0.654% *  0.0168% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.18 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 171.7:
    * O T HA    ILE   19 - HB    ILE   19   2.86 +/- 0.23  94.033% * 98.6066% (1.00  10.0 10.00   5.75 171.75) =  99.985%  kept
        T HA    GLU-  25 - HB    ILE   19  12.28 +/- 1.04   1.270% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.012%
        T HA    SER   82 - HB    ILE   19  23.75 +/- 6.87   0.291% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB    ILE   19   9.22 +/- 1.98   4.071% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    ILE   19  20.41 +/- 2.88   0.335% *  0.0884% (0.90   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 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 = 0.933, support = 4.96, residual support = 154.5:
    * O T HG12  ILE   19 - HB    ILE   19   2.43 +/- 0.20  67.205% * 69.6287% (1.00  10.0 10.00   5.30 171.75) =  89.648%  kept
        T HG    LEU   73 - HB    ILE   19   7.51 +/- 5.85  22.048% * 23.7509% (0.34   1.0 10.00   2.13   5.22) =  10.032%  kept
        T HB3   LEU   67 - HB    ILE   19  11.61 +/- 5.21   3.315% *  2.6477% (0.73   1.0 10.00   0.10   0.02) =   0.168%  kept
          HB3   LYS+  74 - HB    ILE   19   9.75 +/- 5.78   2.484% *  2.9898% (0.57   1.0  1.00   1.52   7.99) =   0.142%  kept
        T HG    LEU   80 - HB    ILE   19  18.22 +/- 8.62   0.446% *  0.6825% (0.98   1.0 10.00   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HB    ILE   19  19.32 +/- 4.95   1.548% *  0.0422% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB    ILE   19  12.04 +/- 1.80   0.669% *  0.0604% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HB    ILE   19  13.67 +/- 3.58   0.957% *  0.0366% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB    ILE   19  18.35 +/- 8.13   0.324% *  0.0532% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  13.03 +/- 2.82   0.603% *  0.0215% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  20.85 +/- 2.70   0.174% *  0.0690% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  19.08 +/- 3.88   0.228% *  0.0174% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.96, residual support = 170.2:
    * O T HG13  ILE   19 - HB    ILE   19   2.71 +/- 0.23  73.938% * 76.9163% (1.00  10.0 10.00   5.00 171.75) =  99.067%  kept
        T HG2   LYS+  74 - HB    ILE   19  11.52 +/- 5.67   2.130% * 19.4934% (0.92   1.0 10.00   0.55   7.99) =   0.723%  kept
        T HG    LEU   71 - HB    ILE   19  10.32 +/- 5.89   3.489% *  3.1281% (0.90   1.0 10.00   0.09   0.45) =   0.190%  kept
          QG2   THR   39 - HB    ILE   19   9.32 +/- 4.84  14.293% *  0.0642% (0.84   1.0  1.00   0.02   0.02) =   0.016%
          QB    ALA   34 - HB    ILE   19   8.07 +/- 2.57   4.058% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB    ILE   19  16.20 +/- 2.86   0.538% *  0.0728% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB    ILE   19  16.34 +/- 3.29   0.451% *  0.0435% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.73 +/- 3.75   0.119% *  0.1522% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  16.38 +/- 2.67   0.613% *  0.0289% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  19.51 +/- 2.87   0.235% *  0.0642% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  23.67 +/- 4.55   0.135% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 4.2, residual support = 167.4:
    * O T QD1   ILE   19 - HB    ILE   19   2.84 +/- 0.44  74.212% * 84.7311% (1.00  10.0 10.00   4.18 171.75) =  97.093%  kept
          QG2   VAL   18 - HB    ILE   19   5.63 +/- 0.63  12.491% * 15.0322% (0.73   1.0  1.00   4.89  22.86) =   2.899%  kept
          QG1   VAL   41 - HB    ILE   19   9.07 +/- 3.77   5.923% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    ILE   19  10.65 +/- 3.77   3.535% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HB    ILE   19  13.91 +/- 2.99   1.163% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    ILE   19  13.92 +/- 4.15   1.223% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  12.70 +/- 2.77   1.453% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.18 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 6.15, residual support = 166.7:
    * O T HA    ILE   19 - HG12  ILE   19   3.52 +/- 0.42  56.130% * 86.4738% (1.00  10.0 10.00   6.31 171.75) =  96.981%  kept
        T HA    ILE   19 - HG    LEU   73   9.45 +/- 5.41  11.720% * 12.8044% (0.33   1.0 10.00   0.91   5.22) =   2.998%  kept
        T HA    ILE   19 - HG    LEU   80  19.02 +/- 8.63   0.947% *  0.3547% (0.41   1.0 10.00   0.02   0.02) =   0.007%
          HA    SER   82 - HG    LEU   80   7.32 +/- 0.83   8.276% *  0.0133% (0.15   1.0  1.00   0.02   0.50) =   0.002%
          HA    GLU-  25 - HG    LEU   80  15.82 +/-10.23   3.166% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HG12  ILE   19  10.25 +/- 2.08   4.716% *  0.0216% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG12  ILE   19  13.45 +/- 1.43   1.231% *  0.0798% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HG    LEU   73  16.53 +/- 4.84   3.102% *  0.0253% (0.29   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG    LEU   73  13.02 +/- 4.35   2.223% *  0.0261% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG    LEU   80  18.80 +/- 3.87   1.086% *  0.0318% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73  11.31 +/- 4.58   4.445% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  20.94 +/- 3.00   0.395% *  0.0776% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   80  17.16 +/- 9.66   1.796% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  24.87 +/- 6.35   0.246% *  0.0325% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  18.80 +/- 3.12   0.521% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.934, support = 4.99, residual support = 155.5:
    * O T HB    ILE   19 - HG12  ILE   19   2.43 +/- 0.20  57.410% * 74.6257% (1.00  10.0 10.00   5.30 171.75) =  90.221%  kept
        T HB    ILE   19 - HG    LEU   73   7.51 +/- 5.85  19.025% * 24.3716% (0.33   1.0 10.00   2.13   5.22) =   9.764%  kept
          HB2   GLN   17 - HG12  ILE   19   7.33 +/- 0.88   2.869% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HB    ILE   19 - HG    LEU   80  18.22 +/- 8.62   0.381% *  0.3061% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG12  ILE   19   8.15 +/- 1.91   2.474% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  115 - HG    LEU   73  15.79 +/- 6.26   7.903% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG12  ILE   19  14.13 +/- 4.46   0.909% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU   73  16.92 +/- 5.30   1.412% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG12  ILE   19  13.94 +/- 1.75   0.513% *  0.0570% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   80  16.38 +/-10.21   1.063% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG12  ILE   19  20.47 +/- 3.79   0.241% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  13.85 +/- 5.12   0.795% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  20.03 +/- 3.70   0.382% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.48 +/- 3.92   0.303% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.54 +/- 2.07   0.373% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  13.95 +/- 4.33   0.481% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  14.13 +/- 5.11   0.430% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.15 +/- 5.82   0.453% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  14.65 +/- 3.88   0.348% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  18.54 +/- 4.24   0.446% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  23.08 +/- 3.97   0.147% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  21.08 +/- 3.17   0.138% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.44 +/- 2.51   0.609% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.41 +/- 3.82   0.090% *  0.0363% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  23.26 +/- 7.96   0.121% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.09 +/- 3.92   0.158% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.32 +/- 3.90   0.117% *  0.0149% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  23.65 +/- 6.00   0.095% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  22.78 +/- 4.43   0.217% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  24.57 +/- 4.33   0.096% *  0.0126% (0.17   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 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 0.996, support = 5.24, residual support = 169.6:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  78.755% * 70.7941% (1.00  10.0 10.00   5.30 171.75) =  98.753%  kept
        T HG    LEU   71 - HG12  ILE   19   9.45 +/- 6.44   2.428% * 17.4091% (0.90   1.0 10.00   0.55   0.45) =   0.749%  kept
        T HG13  ILE   19 - HG    LEU   73   9.48 +/- 5.20   2.640% * 10.4054% (0.33   1.0 10.00   0.90   5.22) =   0.487%  kept
          QG2   THR   39 - HG12  ILE   19   8.86 +/- 5.07   3.877% *  0.0591% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   71 - HG    LEU   73   9.77 +/- 1.90   0.717% *  0.2073% (0.29   1.0 10.00   0.02   1.64) =   0.003%
        T HG13  ILE   19 - HG    LEU   80  19.94 +/- 8.18   0.130% *  0.2904% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HG12  ILE   19  12.47 +/- 5.17   0.467% *  0.0654% (0.92   1.0  1.00   0.02   7.99) =   0.001%
          QB    ALA   34 - HG12  ILE   19   8.06 +/- 2.62   1.671% *  0.0158% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  19.54 +/- 4.59   0.097% *  0.2604% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.34 +/- 4.55   2.734% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.27 +/- 1.05   0.933% *  0.0213% (0.30   1.0  1.00   0.02  41.66) =   0.000%
          QG2   THR   39 - HG    LEU   73  10.09 +/- 2.44   0.847% *  0.0193% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  12.16 +/- 2.44   0.633% *  0.0243% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  15.94 +/- 3.01   0.213% *  0.0670% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  12.73 +/- 2.90   0.385% *  0.0268% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   8.50 +/- 2.45   1.352% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  15.82 +/- 3.39   0.153% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  16.70 +/- 2.89   0.153% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  15.49 +/- 2.80   0.169% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  20.29 +/- 2.44   0.058% *  0.0591% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  17.82 +/- 4.12   0.123% *  0.0243% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  16.65 +/- 3.94   0.264% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.23 +/- 1.63   0.139% *  0.0193% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  12.57 +/- 2.12   0.280% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  22.65 +/- 5.45   0.071% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  15.92 +/- 5.29   0.210% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  17.05 +/- 2.07   0.100% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  21.61 +/- 5.79   0.152% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  24.58 +/- 4.11   0.035% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  17.91 +/- 3.39   0.102% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  25.25 +/- 4.90   0.034% *  0.0164% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  26.17 +/- 4.04   0.035% *  0.0140% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  24.13 +/- 3.64   0.041% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 0.99, support = 4.22, residual support = 168.3:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.02  60.315% * 76.9579% (1.00  10.0 10.00   4.25 171.75) =  97.782%  kept
          QG2   VAL   18 - HG12  ILE   19   5.72 +/- 1.01   4.849% * 13.0695% (0.73   1.0  1.00   4.68  22.86) =   1.335%  kept
        T QD1   ILE   19 - HG    LEU   73   8.16 +/- 3.89   4.399% *  8.8757% (0.33   1.0 10.00   0.71   5.22) =   0.823%  kept
          QG1   VAL   43 - HG    LEU   73   6.36 +/- 1.96  12.614% *  0.1857% (0.16   1.0  1.00   0.30   6.16) =   0.049%
        T QD1   ILE   19 - HG    LEU   80  16.67 +/- 6.44   0.300% *  0.3157% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   98 - HG12  ILE   19  12.98 +/- 3.09   0.380% *  0.1523% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG12  ILE   19   9.10 +/- 4.01   2.408% *  0.0238% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HG    LEU   73   9.47 +/- 4.33   2.118% *  0.0183% (0.24   1.0  1.00   0.02   0.68) =   0.001%
          QG1   VAL   43 - HG    LEU   80   9.59 +/- 3.78   2.157% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   73   7.62 +/- 2.24   3.810% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG    LEU   80  13.71 +/- 4.37   0.459% *  0.0625% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG12  ILE   19  14.02 +/- 3.20   0.386% *  0.0743% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG12  ILE   19  11.22 +/- 3.62   0.753% *  0.0375% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG    LEU   73  12.19 +/- 3.43   0.965% *  0.0243% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80  10.35 +/- 2.00   0.815% *  0.0264% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  14.57 +/- 3.50   0.261% *  0.0643% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.05 +/- 1.31   0.734% *  0.0210% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  17.41 +/- 5.05   0.418% *  0.0305% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  16.61 +/- 7.12   0.329% *  0.0229% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   9.85 +/- 2.11   1.157% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  14.61 +/- 4.06   0.373% *  0.0097% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 171.7:
    * O T HA    ILE   19 - HG13  ILE   19   3.10 +/- 0.66  85.900% * 98.6722% (1.00  10.0 10.00   5.75 171.75) =  99.983%  kept
        T HA    ILE   19 - HG    LEU   71  11.54 +/- 5.82   4.344% *  0.1414% (0.14   1.0 10.00   0.02   0.45) =   0.007%
        T HA    CYS   53 - HG13  ILE   19  21.25 +/- 2.77   0.534% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  25 - HG13  ILE   19  14.01 +/- 1.48   1.426% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HG13  ILE   19  10.71 +/- 2.21   3.771% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HG    LEU   71  21.14 +/- 3.15   0.532% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  25 - HG    LEU   71  17.79 +/- 3.22   1.212% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  25.43 +/- 6.40   0.250% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  15.37 +/- 3.39   1.750% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  24.98 +/- 3.57   0.279% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.7:
    * O T HB    ILE   19 - HG13  ILE   19   2.71 +/- 0.23  63.747% * 98.7569% (1.00  10.0 10.00   5.00 171.75) =  99.977%  kept
        T HB    ILE   19 - HG    LEU   71  10.32 +/- 5.89   2.966% *  0.1416% (0.14   1.0 10.00   0.02   0.45) =   0.007%
          HB2   GLN   17 - HG13  ILE   19   6.58 +/- 1.08   5.693% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - HG13  ILE   19   7.62 +/- 1.84   4.176% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - HG    LEU   71  10.67 +/- 7.01  13.137% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG13  ILE   19  14.26 +/- 4.72   1.050% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - HG13  ILE   19  25.85 +/- 3.90   0.110% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG13  ILE   19  14.39 +/- 1.80   0.633% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG13  ILE   19  20.85 +/- 3.99   0.278% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  13.86 +/- 5.51   1.091% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  10.79 +/- 1.47   1.268% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  20.58 +/- 3.72   0.382% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  13.08 +/- 7.01   1.806% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  20.41 +/- 3.64   0.367% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.65 +/- 4.02   0.173% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  19.37 +/- 4.20   0.482% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.38 +/- 1.66   1.572% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  18.89 +/- 4.33   0.634% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  19.09 +/- 3.21   0.246% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  20.66 +/- 2.51   0.189% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 171.7:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  84.856% * 97.7565% (1.00  10.0 10.00   5.30 171.75) =  99.978%  kept
        T HG    LEU   73 - HG13  ILE   19   9.48 +/- 5.20   2.841% *  0.3335% (0.34   1.0 10.00   0.02   5.22) =   0.011%
        T HG12  ILE   19 - HG    LEU   71   9.45 +/- 6.44   2.614% *  0.1401% (0.14   1.0 10.00   0.02   0.45) =   0.004%
        T HG    LEU   80 - HG13  ILE   19  19.94 +/- 8.18   0.141% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HG13  ILE   19  19.48 +/- 5.37   1.337% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG13  ILE   19  11.50 +/- 5.07   0.917% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HG13  ILE   19  11.02 +/- 5.55   0.861% *  0.0553% (0.57   1.0  1.00   0.02   7.99) =   0.001%
        T HG    LEU   73 - HG    LEU   71   9.77 +/- 1.90   0.772% *  0.0478% (0.05   1.0 10.00   0.02   1.64) =   0.000%
          QB    ALA   61 - HG13  ILE   19  12.36 +/- 1.93   0.300% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  19.54 +/- 4.59   0.105% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.44 +/- 3.08   0.261% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.18 +/- 1.89   1.166% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.27 +/- 2.48   1.216% *  0.0079% (0.08   1.0  1.00   0.02   0.84) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  20.09 +/- 7.58   0.116% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.00 +/- 3.04   0.234% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  21.67 +/- 2.76   0.059% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  11.86 +/- 2.27   0.469% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  17.78 +/- 5.19   0.408% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  12.17 +/- 1.73   0.346% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  10.82 +/- 2.93   0.573% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.23 +/- 4.19   0.083% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  19.58 +/- 4.19   0.104% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.56 +/- 3.29   0.078% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  17.04 +/- 3.53   0.145% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 4.18, residual support = 169.5:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.02  74.887% * 84.5571% (1.00  10.0 10.00   4.17 171.75) =  98.489%  kept
          QG2   VAL   18 - HG13  ILE   19   5.44 +/- 0.87   6.402% * 15.0428% (0.73   1.0  1.00   4.90  22.86) =   1.498%  kept
        T QD1   ILE   19 - HG    LEU   71   8.14 +/- 5.07   5.621% *  0.1212% (0.14   1.0 10.00   0.02   0.45) =   0.011%
          QG1   VAL   41 - HG13  ILE   19   9.77 +/- 3.81   1.680% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG13  ILE   19  11.90 +/- 3.61   0.722% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  14.63 +/- 2.87   0.354% *  0.0816% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  14.83 +/- 3.82   0.327% *  0.0706% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   71   6.59 +/- 1.64   4.659% *  0.0037% (0.04   1.0  1.00   0.02   2.81) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.00 +/- 2.99   1.022% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71  11.26 +/- 4.93   1.233% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   9.98 +/- 2.08   1.498% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.76 +/- 2.94   0.373% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.57 +/- 1.66   0.311% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.98 +/- 2.21   0.910% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 171.7:
    *   T HA    ILE   19 - QD1   ILE   19   2.96 +/- 0.69  88.020% * 99.7561% (1.00 10.00   4.92 171.75) =  99.994%  kept
          HA    GLU-  25 - QD1   ILE   19  11.51 +/- 1.25   2.500% *  0.0921% (0.92  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QD1   ILE   19   8.57 +/- 1.75   7.904% *  0.0249% (0.25  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QD1   ILE   19  18.51 +/- 2.68   1.260% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  21.31 +/- 4.94   0.316% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.13 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.17, residual support = 171.5:
    * O T HB    ILE   19 - QD1   ILE   19   2.84 +/- 0.44  65.926% * 98.8613% (1.00  10.0 10.00   4.18 171.75) =  99.837%  kept
          HB2   GLN   17 - QD1   ILE   19   6.07 +/- 1.34  14.327% *  0.6633% (0.57   1.0  1.00   0.24   0.02) =   0.146%  kept
          QB    GLU-  15 - QD1   ILE   19   6.27 +/- 1.63  13.028% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          HG2   PRO   68 - QD1   ILE   19  12.39 +/- 3.88   1.754% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QD1   ILE   19  11.80 +/- 1.61   1.226% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD1   ILE   19  11.95 +/- 4.45   2.081% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   ILE   19  18.09 +/- 3.35   0.414% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QD1   ILE   19  17.86 +/- 3.21   0.593% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  18.06 +/- 3.50   0.476% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.33 +/- 3.39   0.175% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 171.7:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  82.154% * 97.8860% (1.00  10.0 10.00   4.25 171.75) =  99.960%  kept
        T HG    LEU   73 - QD1   ILE   19   8.16 +/- 3.89   5.898% *  0.3339% (0.34   1.0 10.00   0.02   5.22) =   0.024%
        T HG    LEU   80 - QD1   ILE   19  16.67 +/- 6.44   0.403% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QD1   ILE   19  16.85 +/- 5.18   5.378% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LEU   98 - QD1   ILE   19  11.82 +/- 1.85   0.592% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   ILE   19   9.61 +/- 4.06   2.028% *  0.0554% (0.57   1.0  1.00   0.02   7.99) =   0.001%
          HB3   LEU   67 - QD1   ILE   19  10.33 +/- 3.87   1.399% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   ILE   19  10.97 +/- 1.22   0.698% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD1   ILE   19  11.88 +/- 2.48   0.656% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  16.89 +/- 5.95   0.327% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  18.70 +/- 2.35   0.159% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  16.71 +/- 3.42   0.308% *  0.0244% (0.25   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 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.17, residual support = 171.6:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  72.151% * 98.6077% (1.00  10.0 10.00   4.17 171.75) =  99.909%  kept
        T HG    LEU   71 - QD1   ILE   19   8.14 +/- 5.07   5.519% *  0.8843% (0.90   1.0 10.00   0.02   0.45) =   0.069%
          QG2   THR   39 - QD1   ILE   19   7.44 +/- 4.09  16.496% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.019%
          HG2   LYS+  74 - QD1   ILE   19  11.06 +/- 4.02   1.125% *  0.0910% (0.92   1.0  1.00   0.02   7.99) =   0.001%
          QB    ALA   34 - QD1   ILE   19   7.09 +/- 1.99   3.136% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD1   ILE   19  13.84 +/- 2.72   0.400% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QD1   ILE   19  13.31 +/- 2.86   0.409% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  14.87 +/- 2.56   0.451% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.67 +/- 1.54   0.140% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  21.45 +/- 2.82   0.085% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.97 +/- 3.56   0.089% *  0.0195% (0.20   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 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  97.536% * 99.6998% (1.00  10.0 10.00   2.31  15.21) =  99.998%  kept
          HG2   LYS+ 121 - HA    ALA   20  21.31 +/- 4.85   0.930% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ALA   20  13.73 +/- 1.19   0.384% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  16.98 +/- 2.36   0.374% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.87 +/- 3.50   0.301% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  23.27 +/- 4.81   0.278% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.25 +/- 3.23   0.196% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  98.437% * 99.9427% (1.00  10.0 10.00   2.31  15.21) =  99.999%  kept
          HA    LEU   71 - QB    ALA   20  10.58 +/- 4.44   1.364% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QB    ALA   20  18.10 +/- 2.86   0.199% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.79, residual support = 30.3:
    * O T HB2   CYS   21 - HA    CYS   21   2.63 +/- 0.26  99.091% * 99.9059% (1.00  10.0 10.00   2.79  30.28) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  16.47 +/- 3.39   0.617% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  24.36 +/- 4.14   0.291% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.79, residual support = 30.3:
    * O T HB3   CYS   21 - HA    CYS   21   2.64 +/- 0.23  99.337% * 99.9348% (0.69  10.0 10.00   2.79  30.28) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.73 +/- 3.00   0.663% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (3.08, 3.08, 28.30 ppm):
    1 diagonal assignment:
    *     HB2   CYS   21 - HB2   CYS   21  (1.00)  kept
 
    Peak 119 (2.60, 3.08, 28.30 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.7, residual support = 30.3:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.737% * 99.9348% (0.69  10.0 10.00   2.70  30.28) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  14.10 +/- 2.77   0.263% *  0.0652% (0.45   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 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.7, residual support = 30.3:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.653% * 99.9059% (0.69  10.0 10.00   2.70  30.28) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  15.02 +/- 3.52   0.277% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.05 +/- 4.03   0.070% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.3:
    * O T HB2   HIS   22 - HA    HIS   22   2.46 +/- 0.14  94.486% * 99.8331% (0.76  10.0 10.00   2.32  35.33) =  99.993%  kept
          HA    LEU   63 - HA    HIS   22  17.26 +/- 4.89   5.330% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.007%
          HA2   GLY  101 - HA    HIS   22  21.88 +/- 3.47   0.184% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.3:
    * O T HB3   HIS   22 - HA    HIS   22   2.79 +/- 0.30  98.953% * 99.9165% (0.95  10.0 10.00   3.46  35.33) =  99.999%  kept
          HD3   ARG+  54 - HA    HIS   22  21.69 +/- 5.43   1.047% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.31 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 = 35.3:
    * O T HA    HIS   22 - HB2   HIS   22   2.46 +/- 0.14  98.312% * 99.7956% (0.76  10.0 10.00   2.32  35.33) =  99.998%  kept
          HA    VAL   43 - HB2   HIS   22  14.59 +/- 3.65   1.191% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB2   HIS   22  20.50 +/- 4.51   0.497% *  0.1046% (0.79   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 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 = 35.3:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00  98.984% * 99.9165% (0.80  10.0 10.00   4.26  35.33) =  99.999%  kept
          HD3   ARG+  54 - HB2   HIS   22  22.57 +/- 6.32   1.016% *  0.0835% (0.67   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 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.3:
    * O T HA    HIS   22 - HB3   HIS   22   2.79 +/- 0.30  98.090% * 99.7956% (0.95  10.0 10.00   3.46  35.33) =  99.998%  kept
          HA    VAL   43 - HB3   HIS   22  14.40 +/- 3.55   1.339% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB3   HIS   22  20.11 +/- 4.47   0.571% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.3:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00  99.241% * 99.8331% (0.80  10.0 10.00   4.26  35.33) =  99.999%  kept
          HA    LEU   63 - HB3   HIS   22  18.76 +/- 5.01   0.690% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   HIS   22  22.74 +/- 4.37   0.069% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.36, residual support = 19.1:
    * O T QG2   THR   23 - HA    THR   23   2.57 +/- 0.44  94.915% * 99.3383% (0.80  10.0 10.00   3.36  19.10) =  99.995%  kept
        T QG2   THR   39 - HA    THR   23  15.57 +/- 2.59   0.866% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    THR   23  12.74 +/- 1.23   1.329% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HA    THR   23  17.48 +/- 4.05   0.480% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   23  18.23 +/- 3.41   0.737% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  13.58 +/- 4.12   1.471% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  22.86 +/- 2.11   0.201% *  0.0445% (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 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.624, support = 3.36, residual support = 19.1:
    * O T HA    THR   23 - QG2   THR   23   2.57 +/- 0.44  37.571% * 73.9129% (0.80  10.0 10.00   3.36  19.10) =  66.209%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  55.216% * 25.6645% (0.28  10.0  1.00   3.36  19.10) =  33.786%  kept
          HA    LEU   80 - QG2   THR   23  12.79 +/- 7.58   1.885% *  0.0379% (0.41   1.0  1.00   0.02   0.86) =   0.002%
        T HA    THR   23 - QG2   THR   39  15.57 +/- 2.59   0.213% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QB    ALA   91   7.51 +/- 2.62   3.626% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QG2   THR   23  14.90 +/- 5.42   0.348% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QB    ALA   91  17.48 +/- 4.05   0.147% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  11.15 +/- 1.72   0.480% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  20.57 +/- 1.71   0.069% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  15.48 +/- 2.67   0.227% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.11 +/- 3.07   0.107% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  19.02 +/- 3.74   0.110% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.0:
    * O T QG1   VAL   24 - HA    VAL   24   2.66 +/- 0.55  96.533% * 99.7332% (1.00  10.0 10.00   3.42  64.99) =  99.998%  kept
          HB3   LEU   31 - HA    VAL   24  10.07 +/- 0.53   2.242% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  16.95 +/- 2.61   0.526% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  24.95 +/- 5.12   0.281% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  20.60 +/- 4.89   0.418% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.08 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.0:
    * O T HA    VAL   24 - QG1   VAL   24   2.66 +/- 0.55  97.030% * 99.8757% (1.00  10.0 10.00   3.42  64.99) =  99.999%  kept
          HD2   PRO   68 - QG1   VAL   24  17.47 +/- 4.23   1.534% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG1   VAL   24  16.86 +/- 1.69   0.478% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  14.94 +/- 2.76   0.959% *  0.0222% (0.22   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 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.5:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.96 +/- 0.05  94.671% * 99.2829% (1.00  10.0 10.00   5.26 127.50) =  99.995%  kept
        T HB2   GLU-  25 - HA    SER   82  20.91 +/- 9.90   0.822% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HA    GLU-  25  15.75 +/- 3.13   1.212% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU-  25  18.98 +/- 2.44   0.457% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  17.55 +/- 3.30   0.582% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  16.63 +/- 3.42   0.759% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.33 +/- 1.40   0.311% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.37 +/- 3.36   0.492% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  25.71 +/- 6.14   0.196% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  24.06 +/- 2.07   0.190% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  30.04 +/- 4.12   0.106% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  27.68 +/- 5.86   0.204% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.5:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.76 +/- 0.12  90.630% * 98.0202% (1.00  10.0 10.00   5.00 127.50) =  99.983%  kept
        T HB    ILE   19 - HA    GLU-  25  12.28 +/- 1.04   1.122% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   GLU-  25 - HA    SER   82  20.03 +/-10.16   0.823% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - HA    GLU-  25  24.44 +/- 4.76   1.383% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLU-  25  17.54 +/- 4.05   0.841% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU-  25  17.17 +/- 3.03   0.687% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.40 +/- 0.90   2.578% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HA    SER   82  23.75 +/- 6.87   0.222% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU-  25  23.14 +/- 4.21   0.262% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  29.55 +/- 4.14   0.158% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  23.04 +/- 4.01   0.230% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  22.64 +/- 2.47   0.189% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  25.46 +/- 3.20   0.143% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  28.59 +/- 6.39   0.107% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  28.38 +/- 4.45   0.099% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  22.46 +/- 7.20   0.319% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  28.29 +/- 3.33   0.101% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  28.16 +/- 3.57   0.107% *  0.0193% (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 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.51 +/- 0.46  96.000% * 99.4877% (1.00  10.0 10.00   4.31 127.50) =  99.997%  kept
        T HG2   GLU-  25 - HA    SER   82  20.86 +/-10.27   0.601% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   87 - HA    SER   82   9.69 +/- 0.36   2.137% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  22.31 +/- 6.85   0.263% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  28.35 +/- 5.67   0.190% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.81 +/- 2.21   0.203% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  27.64 +/- 5.69   0.194% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  20.08 +/- 2.31   0.242% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  28.69 +/- 3.09   0.083% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  28.37 +/- 2.92   0.086% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.5:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.20 +/- 0.53  86.669% * 99.2510% (1.00  10.0 10.00   3.73 127.50) =  99.991%  kept
        T HG3   GLU-  25 - HA    SER   82  21.01 +/-10.21   1.224% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HA    GLU-  25  15.81 +/- 7.72   2.394% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HA    SER   82   9.77 +/- 0.63   3.605% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  25  24.17 +/- 4.32   1.145% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HA    GLU-  25  16.98 +/- 1.48   0.734% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  14.70 +/- 2.91   1.884% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  26.32 +/- 3.11   0.198% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.79 +/- 3.90   0.592% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  26.00 +/- 4.75   0.588% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  24.63 +/- 3.18   0.265% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  22.35 +/- 3.11   0.362% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  29.93 +/- 5.54   0.164% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  27.56 +/- 2.62   0.177% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.14 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.5:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.96 +/- 0.05  96.341% * 99.2383% (1.00  10.0 10.00   5.26 127.50) =  99.992%  kept
        T HA    SER   82 - HB2   GLU-  25  20.91 +/- 9.90   0.836% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   19 - HB2   GLU-  25  12.53 +/- 2.51   2.634% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   53 - HB2   GLU-  25  25.82 +/- 2.98   0.189% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.5:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  97.622% * 97.2368% (1.00  10.0 10.00   5.26 127.50) =  99.992%  kept
        T HB2   GLN   17 - HB2   GLU-  25  16.95 +/- 4.63   0.489% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T QB    GLU-  15 - HB2   GLU-  25  16.89 +/- 2.96   0.211% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   68 - HB2   GLU-  25  23.52 +/- 4.30   0.063% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  25.67 +/- 5.03   0.440% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.12 +/- 1.34   0.358% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25   9.47 +/- 1.09   0.712% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  23.76 +/- 4.22   0.062% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.86 +/- 4.47   0.044% *  0.0872% (0.90   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 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.5:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.64 +/- 0.26  99.099% * 99.8559% (1.00  10.0 10.00   4.57 127.50) = 100.000%  kept
          HB3   PHE   95 - HB2   GLU-  25  22.11 +/- 2.51   0.304% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   GLU-  25  23.90 +/- 6.68   0.215% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  29.43 +/- 5.83   0.174% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  28.72 +/- 5.80   0.207% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 127.5:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.62 +/- 0.24  97.536% * 99.6757% (1.00  10.0 10.00   3.99 127.50) =  99.999%  kept
          HB2   GLU-  79 - HB2   GLU-  25  16.45 +/- 8.12   1.121% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HB2   GLU-  25  25.40 +/- 4.65   0.527% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.52 +/- 1.81   0.378% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  27.15 +/- 3.24   0.114% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  26.69 +/- 4.60   0.203% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  25.90 +/- 3.15   0.122% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.5:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.76 +/- 0.12  97.612% * 98.4268% (1.00  10.0 10.00   5.00 127.50) =  99.982%  kept
        T HA    ILE   19 - HB3   GLU-  25  13.16 +/- 2.25   1.355% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.013%
        T HA    SER   82 - HB3   GLU-  25  20.03 +/-10.16   0.887% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    CYS   53 - HB3   GLU-  25  25.54 +/- 2.81   0.146% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.5:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  99.363% * 98.0062% (1.00  10.0 10.00   5.26 127.50) =  99.996%  kept
        T QG    GLN   17 - HB3   GLU-  25  15.72 +/- 3.52   0.335% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T HB    VAL   70 - HB3   GLU-  25  20.19 +/- 2.39   0.076% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU-  25  19.12 +/- 3.19   0.093% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.14 +/- 1.51   0.052% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.38 +/- 3.28   0.080% *  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 = 127.5:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.94 +/- 0.14  98.613% * 99.8559% (1.00  10.0 10.00   4.44 127.50) =  99.999%  kept
          HB3   TRP   87 - HB3   GLU-  25  23.30 +/- 6.78   0.344% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.07 +/- 2.64   0.401% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  29.44 +/- 5.97   0.290% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  28.74 +/- 5.96   0.352% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.5:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.54 +/- 0.20  96.695% * 99.2075% (1.00  10.0 10.00   3.87 127.50) =  99.992%  kept
        T QG    GLU- 114 - HB3   GLU-  25  25.28 +/- 4.91   1.310% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.007%
          HB2   GLU-  79 - HB3   GLU-  25  15.96 +/- 8.23   1.313% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB3   GLU-  25  18.56 +/- 1.55   0.275% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  26.74 +/- 3.22   0.103% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  25.35 +/- 3.34   0.122% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  26.67 +/- 4.77   0.183% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.09 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.5:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.51 +/- 0.46  97.069% * 99.2383% (1.00  10.0 10.00   4.31 127.50) =  99.994%  kept
        T HA    SER   82 - HG2   GLU-  25  20.86 +/-10.27   0.608% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   19 - HG2   GLU-  25  14.09 +/- 2.71   2.135% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HG2   GLU-  25  26.62 +/- 2.96   0.189% *  0.0682% (0.69   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 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.5:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.64 +/- 0.26  97.830% * 99.7000% (1.00  10.0 10.00   4.57 127.50) =  99.998%  kept
          QG    GLN   17 - HG2   GLU-  25  16.31 +/- 4.14   1.066% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   GLU-  25  20.73 +/- 2.32   0.230% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  19.47 +/- 3.32   0.338% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.63 +/- 1.52   0.192% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.85 +/- 3.41   0.343% *  0.0175% (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 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.5:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.94 +/- 0.14  91.398% * 99.4104% (1.00  10.0 10.00   4.44 127.50) =  99.993%  kept
          HB2   GLN   17 - HG2   GLU-  25  18.23 +/- 5.14   2.376% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG2   GLU-  25  17.72 +/- 3.56   1.210% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   GLU-  25  25.98 +/- 4.98   1.090% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG2   GLU-  25  13.49 +/- 1.45   1.116% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  10.77 +/- 1.08   2.147% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG2   GLU-  25  24.65 +/- 4.23   0.264% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  24.48 +/- 4.16   0.242% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  31.22 +/- 4.47   0.156% *  0.0892% (0.90   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 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.364% * 99.6757% (1.00  10.0 10.00   3.31 127.50) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  17.30 +/- 7.94   0.253% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  25.69 +/- 4.60   0.138% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.72 +/- 2.21   0.113% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  27.86 +/- 3.33   0.029% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  27.63 +/- 4.88   0.069% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  26.31 +/- 3.20   0.034% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.5:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.20 +/- 0.53  97.016% * 98.4268% (1.00  10.0 10.00   3.73 127.50) =  99.978%  kept
        T HA    ILE   19 - HG3   GLU-  25  14.62 +/- 2.75   1.421% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.014%
        T HA    SER   82 - HG3   GLU-  25  21.01 +/-10.21   1.371% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.009%
          HA    CYS   53 - HG3   GLU-  25  27.20 +/- 2.99   0.192% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.10 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 127.5:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.62 +/- 0.24  97.822% * 99.7000% (1.00  10.0 10.00   3.99 127.50) =  99.998%  kept
          QG    GLN   17 - HG3   GLU-  25  16.84 +/- 4.11   1.266% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG3   GLU-  25  21.47 +/- 2.76   0.278% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  20.28 +/- 2.78   0.234% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  22.45 +/- 1.98   0.190% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  22.79 +/- 3.15   0.209% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.10 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.5:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.54 +/- 0.20  94.553% * 98.6730% (1.00  10.0 10.00   3.87 127.50) =  99.989%  kept
        T QB    GLU- 114 - HG3   GLU-  25  26.71 +/- 5.11   0.911% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.008%
          HB2   GLN   17 - HG3   GLU-  25  18.84 +/- 5.06   1.162% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG3   GLU-  25  18.31 +/- 3.58   0.814% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG3   GLU-  25  14.14 +/- 1.56   0.751% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   GLU-  25  11.48 +/- 1.13   1.231% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  25.30 +/- 4.86   0.254% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  25.11 +/- 4.75   0.198% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  31.99 +/- 4.55   0.127% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.797% * 99.8559% (1.00  10.0 10.00   3.31 127.50) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  24.42 +/- 6.66   0.057% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.43 +/- 2.43   0.057% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  30.86 +/- 5.96   0.041% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  30.16 +/- 5.97   0.048% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (2.33, 2.33, 37.82 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  25 - HG3   GLU-  25  (1.00)  kept
 
    Peak 165 (4.15, 4.15, 66.74 ppm):
    1 diagonal assignment:
    *     HA    THR   26 - HA    THR   26  (1.00)  kept
 
    Peak 166 (4.23, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.8:
    * O T HB    THR   26 - HA    THR   26   3.00 +/- 0.08  99.300% * 99.8279% (1.00  10.0 10.00   3.24  34.82) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  21.19 +/- 2.25   0.339% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  27.71 +/- 5.37   0.361% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.59 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.8:
    * O T QG2   THR   26 - HA    THR   26   2.65 +/- 0.19  95.787% * 99.3101% (1.00  10.0 10.00   3.24  34.82) =  99.997%  kept
        T HB3   LEU   40 - HA    THR   26  17.17 +/- 2.35   0.470% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    THR   26  14.34 +/- 3.52   0.825% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    THR   26  20.29 +/- 3.97   0.474% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  24.56 +/- 5.24   0.313% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  19.96 +/- 2.90   0.292% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  19.00 +/- 4.25   0.870% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  23.80 +/- 5.33   0.348% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  22.82 +/- 4.34   0.352% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  24.62 +/- 4.27   0.269% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.8:
    * O T HA    THR   26 - HB    THR   26   3.00 +/- 0.08  80.073% * 99.6617% (1.00  10.0 10.00   3.24  34.82) =  99.992%  kept
          HA    ILE   19 - HB    THR   26   8.71 +/- 2.47  11.034% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   28 - HB    THR   26   7.86 +/- 0.14   4.515% *  0.0308% (0.31   1.0  1.00   0.02   0.42) =   0.002%
          HA    GLU- 114 - HB    THR   26  27.31 +/- 5.27   0.828% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB    THR   26  13.08 +/- 1.67   1.232% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB    THR   26  23.58 +/- 4.55   1.541% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB    THR   26  19.11 +/- 4.01   0.531% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  23.42 +/- 3.22   0.245% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.46 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.8:
    * O T QG2   THR   26 - HB    THR   26   2.16 +/- 0.01  97.142% * 99.4369% (1.00  10.0 10.00   3.00  34.82) =  99.998%  kept
          HB2   LYS+  74 - HB    THR   26  12.58 +/- 4.07   0.762% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA  120 - HB    THR   26  22.50 +/- 4.40   0.191% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  19.21 +/- 4.21   0.343% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  18.36 +/- 3.25   0.206% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  24.40 +/- 5.07   0.152% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  19.71 +/- 4.58   0.452% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.52 +/- 2.49   0.273% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  23.67 +/- 4.40   0.307% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  23.70 +/- 5.11   0.170% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.24, residual support = 34.8:
    * O T HA    THR   26 - QG2   THR   26   2.65 +/- 0.19  65.768% * 98.4905% (1.00  10.0 10.00   3.24  34.82) =  99.927%  kept
          HA    ILE   19 - QG2   THR   26   6.13 +/- 2.54  25.696% *  0.1569% (0.25   1.0  1.00   0.13   0.02) =   0.062%
        T HA    GLU- 114 - QG2   THR   26  22.43 +/- 4.21   0.275% *  0.8227% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU  115 - QG2   THR   26  19.31 +/- 3.63   0.471% *  0.3360% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QG2   THR   26   6.52 +/- 0.18   4.669% *  0.0304% (0.31   1.0  1.00   0.02   0.42) =   0.002%
          HA    ALA   34 - QG2   THR   26   9.39 +/- 1.56   2.121% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - QG2   THR   26  15.02 +/- 3.33   0.775% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG2   THR   26  19.58 +/- 2.82   0.225% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.8:
    * O T HB    THR   26 - QG2   THR   26   2.16 +/- 0.01  99.449% * 99.1149% (1.00  10.0 10.00   3.00  34.82) =  99.998%  kept
        T HA    SER  117 - QG2   THR   26  22.14 +/- 4.41   0.243% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASP-  62 - QG2   THR   26  16.01 +/- 1.95   0.308% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 106.7:
    * O T HB2   TRP   27 - HA    TRP   27   2.87 +/- 0.09  98.430% * 99.8554% (1.00  10.0 10.00   4.74 106.70) =  99.999%  kept
          HA    THR   77 - HA    TRP   27  15.38 +/- 5.13   1.311% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   93 - HA    TRP   27  21.62 +/- 2.26   0.259% *  0.0999% (1.00   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 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 106.7:
    * O T HB3   TRP   27 - HA    TRP   27   2.24 +/- 0.05  96.866% * 99.7166% (1.00  10.0 10.00   4.76 106.70) =  99.998%  kept
          HB3   PHE   60 - HA    TRP   27  16.47 +/- 3.91   1.035% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HA    TRP   27  14.10 +/- 3.08   1.005% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    TRP   27  15.80 +/- 2.45   0.450% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.65 +/- 3.10   0.309% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  15.56 +/- 1.54   0.336% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 106.7:
    * O T HA    TRP   27 - HB2   TRP   27   2.87 +/- 0.09  98.935% * 99.7755% (1.00  10.0 10.00   4.74 106.70) =  99.999%  kept
          HA    ALA   91 - HB2   TRP   27  19.63 +/- 4.28   0.467% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.48 +/- 2.56   0.357% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.64 +/- 2.99   0.240% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 106.7:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  98.898% * 99.7166% (1.00  10.0 10.00   4.97 106.70) =  99.999%  kept
          HB2   PHE   97 - HB2   TRP   27  16.68 +/- 2.81   0.221% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.67 +/- 4.00   0.311% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  16.76 +/- 3.67   0.173% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  15.73 +/- 3.09   0.263% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  17.48 +/- 1.93   0.134% *  0.0222% (0.22   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 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 106.7:
    * O T HA    TRP   27 - HB3   TRP   27   2.24 +/- 0.05  99.443% * 99.7755% (1.00  10.0 10.00   4.76 106.70) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  19.11 +/- 4.20   0.242% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.53 +/- 2.16   0.180% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.77 +/- 3.01   0.136% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 106.7:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.405% * 99.8554% (1.00  10.0 10.00   4.97 106.70) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  13.53 +/- 5.27   0.520% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  19.96 +/- 2.14   0.075% *  0.0999% (1.00   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 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 = 4.48, residual support = 105.6:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  89.715% * 99.2152% (1.00  10.0 10.00   4.48 105.59) =  99.982%  kept
        T HB2   ASN   35 - HA    ASN   28  11.06 +/- 1.15   2.131% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.011%
          QE    LYS+  33 - HA    ASN   28   8.76 +/- 1.22   4.584% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HA    ASN   28  18.56 +/- 9.26   1.585% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASN   28  18.49 +/- 2.65   0.516% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASN   28  19.33 +/- 4.72   0.504% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  16.04 +/- 4.68   0.965% *  0.0153% (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 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 104.8:
    * O T HB3   ASN   28 - HA    ASN   28   2.58 +/- 0.10  92.300% * 87.0971% (1.00  10.0 10.00   4.19 105.59) =  99.074%  kept
          HG2   GLN   30 - HA    ASN   28   6.69 +/- 0.52   5.841% * 12.8486% (0.92   1.0  1.00   3.20  18.12) =   0.925%  kept
          QE    LYS+ 121 - HA    ASN   28  19.24 +/- 4.65   1.078% *  0.0390% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASN   28  18.95 +/- 4.84   0.781% *  0.0153% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.45, residual support = 104.6:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  59.137% * 92.9940% (1.00  10.0 10.00   4.48 105.59) =  98.907%  kept
          HA    ALA   34 - HB2   ASN   35   6.20 +/- 0.36   7.253% *  4.4594% (0.29   1.0  1.00   3.26  20.15) =   0.582%  kept
          HA    THR   26 - HB2   ASN   28   4.76 +/- 0.31  16.141% *  1.6980% (0.31   1.0  1.00   1.18   0.42) =   0.493%  kept
        T HA    ASN   28 - HB2   ASN   35  11.06 +/- 1.15   1.406% *  0.2893% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HA1   GLY  101 - HB2   ASN   35   9.38 +/- 4.63   9.300% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HA1   GLY  101 - HB2   ASN   28  15.57 +/- 4.83   2.235% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HB2   ASN   28  11.85 +/- 0.67   1.053% *  0.0880% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  115 - HB2   ASN   28  23.36 +/- 4.23   0.693% *  0.0928% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB2   ASN   28  27.05 +/- 6.05   0.462% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  26.90 +/- 4.66   0.294% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.05 +/- 4.23   0.165% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  19.95 +/- 7.47   0.459% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.02 +/- 1.07   0.647% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  23.26 +/- 5.83   0.318% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  23.73 +/- 2.43   0.146% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  26.75 +/- 2.80   0.099% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  29.76 +/- 4.33   0.088% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  27.30 +/- 4.46   0.104% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 105.5:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  97.302% * 91.7868% (1.00  10.0 10.00   5.43 105.59) =  99.878%  kept
          HG2   GLN   30 - HB2   ASN   28   7.40 +/- 0.52   1.373% *  7.8263% (0.92   1.0  1.00   1.85  18.12) =   0.120%  kept
        T HB3   ASN   28 - HB2   ASN   35  11.57 +/- 1.35   0.404% *  0.2855% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   ASN   35  11.74 +/- 0.85   0.342% *  0.0264% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  21.44 +/- 5.01   0.192% *  0.0412% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  21.33 +/- 5.19   0.169% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  19.18 +/- 4.31   0.112% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  19.51 +/- 4.84   0.105% *  0.0050% (0.05   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 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 105.6:
    * O T HA    ASN   28 - HB3   ASN   28   2.58 +/- 0.10  86.087% * 99.4977% (1.00  10.0 10.00   4.19 105.59) =  99.991%  kept
          HA1   GLY  101 - HB3   ASN   28  14.45 +/- 5.18   5.077% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HA    THR   26 - HB3   ASN   28   6.27 +/- 0.31   6.315% *  0.0307% (0.31   1.0  1.00   0.02   0.42) =   0.002%
          HA    ALA   34 - HB3   ASN   28  11.50 +/- 0.50   1.001% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  23.07 +/- 3.91   0.444% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB3   ASN   28  26.73 +/- 5.87   0.377% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  26.53 +/- 4.28   0.200% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  26.34 +/- 4.12   0.136% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  20.25 +/- 7.49   0.362% *  0.0174% (0.18   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 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 105.6:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  98.218% * 99.2152% (1.00  10.0 10.00   5.43 105.59) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  11.57 +/- 1.35   0.408% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28   9.40 +/- 1.47   0.825% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  19.75 +/- 9.75   0.251% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  20.44 +/- 2.71   0.077% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  20.91 +/- 5.12   0.082% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  17.84 +/- 4.94   0.138% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.997, support = 4.9, residual support = 92.2:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.94 +/- 0.16  57.061% * 98.3644% (1.00  10.0 10.00   4.90  92.21) =  99.956%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.01 +/- 1.16   3.543% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.017%
        T HB2   GLU-  29 - HA    GLN   32   8.05 +/- 0.34   2.849% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.011%
          QG    GLU-  14 - HA    GLU-  29  13.22 +/- 4.68   7.681% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   PHE   72 - HA    GLU-  29  14.35 +/- 2.17   0.611% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.004%
          QG    GLU-  15 - HA    GLU-  29  13.74 +/- 4.20   5.375% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PHE   72 - HA    LYS+  33  13.83 +/- 2.77   0.788% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  29  15.20 +/- 3.26   0.925% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    LYS+  33  13.36 +/- 4.66   3.822% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    GLU-  29  23.11 +/- 4.21   0.369% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLN   32  10.96 +/- 3.31   3.240% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.33 +/- 2.76   1.707% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  11.98 +/- 4.88   2.999% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.86 +/- 4.55   3.574% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  20.70 +/- 2.64   0.197% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  14.97 +/- 4.88   1.826% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  19.69 +/- 3.90   0.242% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  27.01 +/- 2.54   0.082% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  18.79 +/- 1.41   0.231% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  13.89 +/- 2.57   0.749% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  25.01 +/- 4.20   0.119% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  22.93 +/- 3.32   0.205% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  18.50 +/- 2.14   0.283% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  19.84 +/- 2.27   0.226% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  22.08 +/- 3.22   0.235% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.27 +/- 2.57   0.145% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  27.33 +/- 2.48   0.080% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.35 +/- 2.84   0.170% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.16 +/- 2.06   0.063% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  19.68 +/- 1.15   0.198% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.95 +/- 1.20   0.225% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  25.96 +/- 3.79   0.103% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  27.71 +/- 2.98   0.077% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 0.863, support = 5.17, residual support = 91.0:
      O   HB3   GLU-  29 - HA    GLU-  29   2.62 +/- 0.17  36.306% * 43.8707% (0.80  10.0  1.00   5.20  92.21) =  62.360%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.50 +/- 0.35  16.948% * 54.7879% (1.00  10.0 10.00   5.21  92.21) =  36.355%  kept
          QB    GLU-  36 - HA    LYS+  33   2.72 +/- 0.39  34.095% *  0.9534% (0.13   1.0  1.00   2.61   0.02) =   1.273%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.07 +/- 1.26   1.084% *  0.1503% (0.27   1.0 10.00   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HA    LYS+  33   6.83 +/- 1.20   2.776% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   8.60 +/- 1.06   1.146% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.22 +/- 0.49   2.919% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.33 +/- 0.31   1.663% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   8.82 +/- 0.40   0.970% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   9.08 +/- 0.61   0.891% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.48 +/- 0.95   0.226% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.47 +/- 0.68   0.602% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  19.48 +/- 5.87   0.138% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  28.65 +/- 4.42   0.032% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  22.50 +/- 4.16   0.071% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  21.48 +/- 4.49   0.085% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  29.65 +/- 4.06   0.028% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  31.64 +/- 3.21   0.022% *  0.0142% (0.26   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 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.997, support = 4.68, residual support = 92.2:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.58 +/- 0.62  85.606% * 99.0116% (1.00  10.0 10.00   4.68  92.21) =  99.971%  kept
        T HG2   GLU-  29 - HA    LYS+  33   7.99 +/- 1.37   5.182% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.017%
        T HG2   GLU-  29 - HA    GLN   32   7.56 +/- 0.60   4.215% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.011%
          HB3   ASP-  86 - HA    GLU-  29  22.67 +/- 8.79   0.551% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    GLU-  29  21.45 +/- 2.98   0.246% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  23.38 +/- 2.74   0.186% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.32 +/- 2.75   0.487% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  23.14 +/- 8.58   0.501% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.05 +/- 4.46   0.155% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  25.51 +/- 7.18   0.265% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.58 +/- 1.95   0.188% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.79 +/- 2.63   0.230% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.35 +/- 1.89   0.180% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  15.71 +/- 2.80   0.625% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  23.63 +/- 2.27   0.168% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  23.31 +/- 2.45   0.182% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.71 +/- 1.63   0.377% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.71 +/- 4.07   0.126% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.54 +/- 3.96   0.139% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.74 +/- 1.97   0.178% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.31 +/- 1.40   0.212% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.16 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.9, residual support = 92.1:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.94 +/- 0.16  85.940% * 98.1508% (1.00  10.0 10.00   4.90  92.21) =  99.914%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.01 +/- 1.16   5.307% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.058%
        T HA    GLN   32 - HB2   GLU-  29   8.05 +/- 0.34   4.306% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.022%
          HA    VAL   18 - HB2   GLU-  29  13.37 +/- 2.71   2.272% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HB2   GLU-  29  21.12 +/- 9.71   0.739% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  16.50 +/- 2.34   0.673% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB2   GLU-  29  26.09 +/- 4.78   0.279% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  25.23 +/- 4.60   0.193% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  26.94 +/- 6.49   0.171% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  28.04 +/- 2.71   0.119% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.872, support = 4.49, residual support = 92.2:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  68.749% * 44.1051% (0.80  10.0  1.00   4.50  92.21) =  64.301%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.30 +/- 0.08  30.562% * 55.0806% (1.00  10.0 10.00   4.47  92.21) =  35.698%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  18.48 +/- 6.44   0.110% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   GLU-  29   9.84 +/- 1.22   0.458% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  28.29 +/- 4.39   0.020% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.04 +/- 1.41   0.101% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 92.2:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.84 +/- 0.15  98.162% * 99.6674% (1.00  10.0 10.00   4.14  92.21) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  22.86 +/- 8.46   0.425% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  21.27 +/- 2.96   0.278% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  23.06 +/- 3.08   0.290% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  26.08 +/- 4.78   0.202% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  18.19 +/- 2.49   0.441% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.04 +/- 2.37   0.202% *  0.0249% (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 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.68, residual support = 92.1:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.58 +/- 0.62  87.039% * 98.1508% (1.00  10.0 10.00   4.68  92.21) =  99.917%  kept
        T HA    LYS+  33 - HG2   GLU-  29   7.99 +/- 1.37   5.268% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.057%
        T HA    GLN   32 - HG2   GLU-  29   7.56 +/- 0.60   4.284% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.022%
          HA    VAL   18 - HG2   GLU-  29  14.78 +/- 3.09   1.681% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HG2   GLU-  29  21.81 +/-10.06   0.677% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG2   GLU-  29  17.35 +/- 2.26   0.476% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  26.67 +/- 4.71   0.171% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  27.22 +/- 4.55   0.146% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  27.73 +/- 6.77   0.168% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  29.39 +/- 2.59   0.090% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 92.2:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.84 +/- 0.15  80.845% * 99.5124% (1.00  10.0 10.00   4.14  92.21) =  99.993%  kept
          QG    GLU-  14 - HG2   GLU-  29  13.15 +/- 5.06  12.727% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - HG2   GLU-  29  14.25 +/- 4.41   3.525% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HG2   GLU-  29  24.49 +/- 4.51   0.394% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  17.10 +/- 3.16   0.750% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  15.63 +/- 2.67   0.729% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  20.10 +/- 4.40   0.321% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  22.41 +/- 2.87   0.196% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  27.93 +/- 2.86   0.098% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  19.84 +/- 1.80   0.266% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  25.53 +/- 4.52   0.148% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.33 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.22, residual support = 92.2:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  78.468% * 55.3193% (1.00  10.0 10.00   4.18  92.21) =  82.508%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.79 +/- 0.20  20.772% * 44.2962% (0.80  10.0 10.00   4.40  92.21) =  17.489%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.76 +/- 1.38   0.536% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HG2   GLU-  29  16.10 +/- 1.00   0.106% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  19.79 +/- 6.38   0.097% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  29.27 +/- 4.70   0.021% *  0.0523% (0.95   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 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 = 0.937, support = 4.87, residual support = 159.3:
    * O T HB2   GLN   30 - HA    GLN   30   2.77 +/- 0.15  47.211% * 53.1933% (1.00  10.0 10.00   4.83 159.29) =  52.810%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.78 +/- 0.59  48.632% * 46.1414% (0.87  10.0 10.00   4.92 159.29) =  47.187%  kept
          HB3   GLU- 100 - HA    GLN   30  13.23 +/- 3.10   1.219% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   93 - HA    GLN   30  22.59 +/- 2.04   0.100% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    GLN   30  22.01 +/- 4.02   0.226% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  13.43 +/- 3.59   1.083% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  11.78 +/- 3.05   0.982% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.83 +/- 3.25   0.313% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.77 +/- 3.42   0.056% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.94 +/- 4.54   0.094% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  23.42 +/- 1.71   0.084% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.988, support = 5.21, residual support = 156.8:
    * O T HB3   GLN   30 - HA    GLN   30   2.92 +/- 0.13  54.539% * 97.5316% (1.00  10.0 10.00   5.27 159.29) =  98.455%  kept
          QB    LYS+  33 - HA    GLN   30   3.40 +/- 0.85  42.422% *  1.9631% (0.25   1.0  1.00   1.61   0.52) =   1.541%  kept
          HB3   LYS+  38 - HA    GLN   30  12.76 +/- 1.41   0.746% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HA    GLN   30  23.30 +/- 4.52   0.399% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   30  23.44 +/- 4.12   0.246% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.60 +/- 1.63   0.270% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  25.21 +/- 2.24   0.093% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  20.70 +/- 5.11   0.229% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  17.82 +/- 4.00   0.427% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  17.45 +/- 2.82   0.350% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.32 +/- 4.79   0.204% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  27.67 +/- 3.51   0.074% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 158.6:
    * O T HG2   GLN   30 - HA    GLN   30   2.88 +/- 0.54  91.756% * 93.7783% (1.00  10.0 10.00   5.76 159.29) =  99.546%  kept
          HB3   ASN   28 - HA    GLN   30   7.56 +/- 0.11   6.388% *  6.1253% (0.92   1.0  1.00   1.42  18.12) =   0.453%  kept
          QE    LYS+ 121 - HA    GLN   30  19.26 +/- 4.57   0.840% *  0.0644% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    GLN   30  18.21 +/- 4.79   1.016% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.83, residual support = 159.3:
    * O T HA    GLN   30 - HB2   GLN   30   2.77 +/- 0.15  90.072% * 99.6678% (1.00  10.0 10.00   4.83 159.29) =  99.997%  kept
          HB    THR   39 - HB2   GLN   30   9.69 +/- 2.58   3.822% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB2   GLN   30  19.70 +/- 8.15   0.778% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  13.62 +/- 3.41   1.561% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.92 +/- 1.80   2.669% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.65 +/- 2.89   0.281% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.43 +/- 2.70   0.135% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.54 +/- 4.00   0.459% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  23.37 +/- 4.30   0.223% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 159.3:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  94.865% * 98.9590% (1.00  10.0 10.00   5.09 159.29) =  99.998%  kept
          QB    LYS+  33 - HB2   GLN   30   5.35 +/- 0.61   3.883% *  0.0247% (0.25   1.0  1.00   0.02   0.52) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  16.14 +/- 1.43   0.132% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  13.41 +/- 1.52   0.242% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  21.35 +/- 4.33   0.182% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  23.99 +/- 4.58   0.085% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.18 +/- 4.04   0.119% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  18.84 +/- 5.16   0.126% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.78 +/- 2.21   0.047% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  16.14 +/- 2.60   0.165% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  18.87 +/- 3.79   0.116% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  25.28 +/- 3.57   0.038% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 158.8:
    * O T HG2   GLN   30 - HB2   GLN   30   2.76 +/- 0.24  92.689% * 94.2854% (1.00  10.0 10.00   5.61 159.29) =  99.680%  kept
          HB3   ASN   28 - HB2   GLN   30   7.51 +/- 0.78   4.977% *  5.6177% (0.92   1.0  1.00   1.29  18.12) =   0.319%  kept
          QE    LYS+ 121 - HB2   GLN   30  18.08 +/- 4.40   0.928% *  0.0648% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HB2   GLN   30  16.83 +/- 4.47   1.405% *  0.0322% (0.34   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 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 159.3:
    * O T HA    GLN   30 - HB3   GLN   30   2.92 +/- 0.13  88.455% * 99.5115% (1.00  10.0 10.00   5.27 159.29) =  99.995%  kept
        T HD2   PRO   58 - HB3   GLN   30  21.53 +/- 3.94   0.563% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HB3   GLN   30   9.95 +/- 2.32   3.824% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB3   GLN   30  13.65 +/- 3.42   3.140% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB3   GLN   30  19.51 +/- 8.00   0.823% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB3   GLN   30  10.29 +/- 1.49   2.487% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  21.58 +/- 2.90   0.311% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.36 +/- 2.65   0.164% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  23.19 +/- 4.37   0.233% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.974, support = 5.11, residual support = 159.3:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  75.921% * 53.1733% (1.00  10.0 10.00   5.09 159.29) =  80.093%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.72 +/- 0.24  21.752% * 46.1240% (0.87  10.0  1.00   5.18 159.29) =  19.905%  kept
          HB3   GLU- 100 - HB3   GLN   30  13.61 +/- 3.25   1.244% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - HB3   GLN   30  24.53 +/- 4.38   0.056% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HB3   GLN   30  20.18 +/- 4.06   0.203% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  16.89 +/- 2.81   0.130% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  13.15 +/- 2.60   0.282% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  12.49 +/- 2.33   0.279% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  21.32 +/- 1.84   0.045% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  20.05 +/- 2.01   0.056% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.57 +/- 3.18   0.032% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (1.89, 1.89, 28.09 ppm):
    1 diagonal assignment:
    *     HB3   GLN   30 - HB3   GLN   30  (1.00)  kept
 
    Peak 219 (2.73, 1.89, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.03, residual support = 158.8:
    * O T HG2   GLN   30 - HB3   GLN   30   2.65 +/- 0.33  93.266% * 93.7972% (1.00  10.0 10.00   6.04 159.29) =  99.652%  kept
          HB3   ASN   28 - HB3   GLN   30   7.11 +/- 0.51   4.990% *  6.1064% (0.92   1.0  1.00   1.41  18.12) =   0.347%  kept
          QE    LYS+ 121 - HB3   GLN   30  18.13 +/- 4.15   0.703% *  0.0644% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HB3   GLN   30  16.87 +/- 4.52   1.041% *  0.0320% (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 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 159.3:
    * O T HA    GLN   30 - HG2   GLN   30   2.88 +/- 0.54  88.818% * 99.6678% (1.00  10.0 10.00   5.76 159.29) =  99.996%  kept
          HB    THR   39 - HG2   GLN   30  10.57 +/- 2.99   3.858% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG2   GLN   30  12.54 +/- 3.15   2.336% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG2   GLN   30  20.54 +/- 8.20   0.875% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HG2   GLN   30  10.48 +/- 2.12   2.948% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HG2   GLN   30  22.39 +/- 3.05   0.388% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.14 +/- 2.86   0.168% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.34 +/- 4.09   0.352% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  24.57 +/- 4.45   0.257% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.899, support = 6.29, residual support = 159.3:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  76.391% * 46.1414% (0.87  10.0 10.00   6.51 159.29) =  75.826%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.76 +/- 0.24  21.124% * 53.1933% (1.00  10.0 10.00   5.61 159.29) =  24.172%  kept
          HB3   GLU- 100 - HG2   GLN   30  15.13 +/- 3.36   1.046% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   93 - HG2   GLN   30  21.22 +/- 2.22   0.048% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  21.34 +/- 4.31   0.205% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.04 +/- 3.17   0.580% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.99 +/- 3.74   0.032% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.27 +/- 3.25   0.137% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.63 +/- 2.36   0.344% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.24 +/- 4.57   0.055% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  23.03 +/- 2.18   0.038% *  0.0491% (0.92   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 159.3:
    * O T HB3   GLN   30 - HG2   GLN   30   2.65 +/- 0.33  82.341% * 99.4599% (1.00  10.0 10.00   6.04 159.29) =  99.993%  kept
          QB    LYS+  33 - HG2   GLN   30   5.60 +/- 0.96  13.462% *  0.0248% (0.25   1.0  1.00   0.02   0.52) =   0.004%
          HB3   LYS+  38 - HG2   GLN   30  14.61 +/- 1.70   0.736% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HG2   GLN   30  22.05 +/- 4.41   0.475% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.18 +/- 4.22   0.360% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  17.57 +/- 2.02   0.391% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  19.39 +/- 5.37   0.387% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  24.00 +/- 2.42   0.134% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  17.75 +/- 3.23   0.724% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  17.45 +/- 3.44   0.473% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.54 +/- 4.90   0.403% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  26.29 +/- 3.81   0.113% *  0.0307% (0.31   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 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 = 231.9:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.02  73.331% * 99.2507% (1.00  10.0 10.00   6.00 231.95) =  99.973%  kept
          HG2   LYS+  99 - HA    LEU   31  10.06 +/- 3.24  15.398% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.018%
          HG    LEU   98 - HA    LEU   31   9.29 +/- 3.48   4.799% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HA    LEU   31  10.06 +/- 1.44   2.619% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HA    LEU   31  15.73 +/- 2.60   0.801% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   31  18.32 +/- 6.72   0.714% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LEU   31  14.93 +/- 1.63   0.703% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LEU   31  18.64 +/- 4.02   0.479% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  18.29 +/- 4.05   0.473% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.08 +/- 2.43   0.124% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  21.36 +/- 4.89   0.309% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.57 +/- 1.69   0.250% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.9:
    * O T HB3   LEU   31 - HA    LEU   31   2.38 +/- 0.07  96.056% * 99.6763% (1.00  10.0 10.00   6.00 231.95) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.60 +/- 1.61   1.065% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.65 +/- 0.82   1.182% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LEU   31  18.40 +/- 3.27   0.496% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HA    LEU   31  18.37 +/- 4.28   0.299% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  14.92 +/- 1.05   0.414% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  24.80 +/- 3.94   0.125% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  15.98 +/- 1.54   0.362% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 230.4:
    * O T HG    LEU   31 - HA    LEU   31   2.92 +/- 0.51  60.179% * 94.6448% (0.80  10.0 10.00   6.01 231.95) =  99.322%  kept
          QD2   LEU   73 - HA    LEU   31   7.72 +/- 2.81   7.367% *  5.1409% (0.92   1.0  1.00   0.94   1.32) =   0.660%  kept
          QG1   VAL   41 - HA    LEU   31   4.86 +/- 2.12  31.649% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.016%
          QD1   ILE   56 - HA    LEU   31  17.40 +/- 2.91   0.412% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HA    LEU   31  17.94 +/- 4.40   0.394% *  0.0669% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 232.0:
    *   T QD1   LEU   31 - HA    LEU   31   3.60 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.85 231.95) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.16 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.9:
    *   T QD2   LEU   31 - HA    LEU   31   2.96 +/- 0.69  89.233% * 99.6345% (1.00 10.00   5.74 231.95) =  99.977%  kept
        T QG2   VAL   43 - HA    LEU   31   9.08 +/- 2.69   7.559% *  0.2484% (0.25 10.00   0.02   0.02) =   0.021%
          QG2   VAL   83 - HA    LEU   31  15.03 +/- 5.40   2.267% *  0.0723% (0.73  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HA    LEU   31  17.80 +/- 3.64   0.941% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.32 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 232.0:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.02 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.95) = 100.000%  kept
    Distance limit 3.65 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 = 231.9:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.437% * 99.6763% (1.00  10.0 10.00   6.00 231.95) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.50 +/- 0.79   0.673% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.31 +/- 1.34   0.330% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  19.99 +/- 3.61   0.130% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  19.66 +/- 4.74   0.114% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  15.84 +/- 1.37   0.144% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  25.83 +/- 4.12   0.044% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  16.79 +/- 1.83   0.129% *  0.0135% (0.14   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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.03, residual support = 231.9:
    * O T HG    LEU   31 - HB2   LEU   31   2.73 +/- 0.30  84.976% * 99.6594% (0.80  10.0 10.00   6.03 231.95) =  99.989%  kept
          QD2   LEU   73 - HB2   LEU   31   9.00 +/- 2.87   4.654% *  0.1149% (0.92   1.0  1.00   0.02   1.32) =   0.006%
          QG1   VAL   41 - HB2   LEU   31   6.85 +/- 2.08   9.309% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB2   LEU   31  18.38 +/- 2.97   0.577% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   LEU   31  19.23 +/- 4.97   0.484% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 232.0:
    * O T QD1   LEU   31 - HB2   LEU   31   2.62 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.95) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.9:
    * O T QD2   LEU   31 - HB2   LEU   31   2.55 +/- 0.52  93.996% * 99.6345% (1.00  10.0 10.00   5.75 231.95) =  99.989%  kept
        T QG2   VAL   43 - HB2   LEU   31   9.66 +/- 3.22   3.475% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.009%
          QG2   VAL   83 - HB2   LEU   31  14.82 +/- 6.27   2.026% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB2   LEU   31  17.80 +/- 4.27   0.503% *  0.0447% (0.45   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 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 232.0:
    * O T HA    LEU   31 - HB3   LEU   31   2.38 +/- 0.07 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.95) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.9:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  92.254% * 99.2507% (1.00  10.0 10.00   6.00 231.95) =  99.994%  kept
          HG2   LYS+  99 - HB3   LEU   31  10.60 +/- 3.39   3.076% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HB3   LEU   31   9.00 +/- 4.39   2.870% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HB3   LEU   31  11.00 +/- 2.15   0.792% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   LEU   31  18.00 +/- 7.26   0.220% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  16.42 +/- 2.78   0.164% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.36 +/- 1.87   0.159% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  19.24 +/- 3.95   0.123% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  17.85 +/- 4.61   0.145% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  20.64 +/- 5.60   0.103% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  25.89 +/- 2.49   0.031% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.54 +/- 1.95   0.063% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.99, residual support = 231.0:
    * O T HG    LEU   31 - HB3   LEU   31   2.82 +/- 0.15  74.351% * 93.3768% (0.80  10.0 10.00   6.02 231.95) =  99.587%  kept
        T QD2   LEU   73 - HB3   LEU   31   8.56 +/- 2.77   4.784% *  5.8175% (0.92   1.0 10.00   0.11   1.32) =   0.399%  kept
          QG1   VAL   41 - HB3   LEU   31   5.71 +/- 2.18  19.890% *  0.0291% (0.25   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 121 - HB3   LEU   31  18.01 +/- 4.70   0.516% *  0.6602% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HB3   LEU   31  17.60 +/- 2.75   0.458% *  0.1164% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 232.0:
    * O T QD1   LEU   31 - HB3   LEU   31   2.10 +/- 0.14 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.95) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.9:
    * O T QD2   LEU   31 - HB3   LEU   31   2.90 +/- 0.30  90.600% * 99.6345% (1.00  10.0 10.00   5.75 231.95) =  99.980%  kept
        T QG2   VAL   43 - HB3   LEU   31   8.99 +/- 3.13   6.329% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.017%
          QG2   VAL   83 - HB3   LEU   31  14.56 +/- 5.93   2.252% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB3   LEU   31  17.30 +/- 4.13   0.819% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 6.01, residual support = 232.0:
    * O T HA    LEU   31 - HG    LEU   31   2.92 +/- 0.51 100.000% *100.0000% (0.80  10.0 10.00   6.01 231.95) = 100.000%  kept
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.03, residual support = 231.9:
    * O T HB2   LEU   31 - HG    LEU   31   2.73 +/- 0.30  84.178% * 99.2507% (0.80  10.0 10.00   6.03 231.95) =  99.986%  kept
          HG2   LYS+  99 - HG    LEU   31  11.97 +/- 3.16   5.030% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - HG    LEU   31   9.78 +/- 3.73   3.945% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HG    LEU   31  16.31 +/- 7.60   1.347% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HG    LEU   31  15.32 +/- 3.33   1.165% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HG    LEU   31  12.61 +/- 1.84   1.371% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  13.88 +/- 1.91   0.962% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   31  16.61 +/- 4.77   0.704% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  19.43 +/- 4.02   0.440% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  19.87 +/- 5.50   0.405% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.29 +/- 2.66   0.137% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.32 +/- 2.06   0.317% *  0.0372% (0.30   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 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 231.9:
    * O T HB3   LEU   31 - HG    LEU   31   2.82 +/- 0.15  90.803% * 99.4283% (0.80  10.0 10.00   6.02 231.95) =  99.994%  kept
          QG1   VAL   24 - HG    LEU   31   8.59 +/- 1.00   4.177% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 121 - HG    LEU   31  18.76 +/- 4.56   0.473% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HG    LEU   31  10.81 +/- 1.39   1.969% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HG    LEU   31  18.25 +/- 3.69   1.032% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG    LEU   31  24.03 +/- 4.14   0.233% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  14.63 +/- 1.46   0.695% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.50 +/- 1.79   0.619% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.0, residual support = 232.0:
    * O T QD1   LEU   31 - HG    LEU   31   2.09 +/- 0.01 100.000% *100.0000% (0.80  10.0 10.00   5.00 231.95) = 100.000%  kept
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.9, residual support = 231.9:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  94.016% * 99.6345% (0.80  10.0 10.00   5.90 231.95) =  99.987%  kept
        T QG2   VAL   43 - HG    LEU   31   7.94 +/- 3.13   4.289% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.011%
          QG2   VAL   83 - HG    LEU   31  13.43 +/- 6.15   1.352% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HG    LEU   31  16.44 +/- 4.14   0.343% *  0.0447% (0.36   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 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 232.0:
    *   T HA    LEU   31 - QD1   LEU   31   3.60 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.85 231.95) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.9:
    * O T HB2   LEU   31 - QD1   LEU   31   2.62 +/- 0.16  71.908% * 99.2507% (1.00  10.0 10.00   4.87 231.95) =  99.976%  kept
          HG    LEU   98 - QD1   LEU   31   7.47 +/- 3.93  16.104% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.012%
          HG2   LYS+  99 - QD1   LEU   31   9.97 +/- 2.67   2.951% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD1   LEU   31  13.28 +/- 6.52   2.161% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  38 - QD1   LEU   31  11.01 +/- 1.88   1.503% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD1   LEU   31  11.40 +/- 1.78   1.212% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD1   LEU   31  12.71 +/- 2.73   1.047% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   31  13.34 +/- 4.25   1.171% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   31  16.14 +/- 3.22   0.592% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD1   LEU   31  15.76 +/- 5.06   0.722% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.29 +/- 2.17   0.180% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.53 +/- 1.90   0.449% *  0.0372% (0.38   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 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.9:
    * O T HB3   LEU   31 - QD1   LEU   31   2.10 +/- 0.14  92.574% * 99.6763% (1.00  10.0 10.00   4.86 231.95) =  99.996%  kept
          QG1   VAL   24 - QD1   LEU   31   7.20 +/- 1.05   3.978% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - QD1   LEU   31  14.92 +/- 2.90   0.693% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31   9.97 +/- 0.94   0.989% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   LEU   31  15.06 +/- 3.91   0.443% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  11.60 +/- 1.46   0.623% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  19.39 +/- 3.31   0.169% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.31 +/- 1.72   0.531% *  0.0135% (0.14   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 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 5.0, residual support = 231.8:
    * O T HG    LEU   31 - QD1   LEU   31   2.09 +/- 0.01  83.238% * 99.1577% (0.80  10.0 10.00   5.00 231.95) =  99.948%  kept
          QD2   LEU   73 - QD1   LEU   31   6.32 +/- 2.24   6.322% *  0.6178% (0.92   1.0  1.00   0.11   1.32) =   0.047%
          QG1   VAL   41 - QD1   LEU   31   5.31 +/- 1.70   9.390% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - QD1   LEU   31  13.58 +/- 2.42   0.556% *  0.1236% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD1   LEU   31  14.70 +/- 4.03   0.494% *  0.0701% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.9:
    * O T QD2   LEU   31 - QD1   LEU   31   2.02 +/- 0.07  86.115% * 99.6345% (1.00  10.0 10.00   4.62 231.95) =  99.968%  kept
        T QG2   VAL   43 - QD1   LEU   31   6.15 +/- 3.00  10.083% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.029%
          QG2   VAL   83 - QD1   LEU   31  10.60 +/- 5.45   3.093% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - QD1   LEU   31  12.98 +/- 3.85   0.710% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.9:
    *   T HA    LEU   31 - QD2   LEU   31   2.96 +/- 0.69  92.186% * 99.9324% (1.00 10.00   5.74 231.95) =  99.994%  kept
        T HA    LEU   31 - QG2   VAL   43   9.08 +/- 2.69   7.814% *  0.0676% (0.07 10.00   0.02   0.02) =   0.006%
    Distance limit 3.08 A violated in 0 structures by 0.26 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 231.6:
    * O T HB2   LEU   31 - QD2   LEU   31   2.55 +/- 0.52  51.093% * 97.8725% (1.00  10.0 10.00   5.75 231.95) =  99.849%  kept
          HB3   ASP-  44 - QG2   VAL   43   5.81 +/- 0.52   6.241% *  0.9155% (0.05   1.0  1.00   3.45  16.51) =   0.114%  kept
          HG2   LYS+  99 - QD2   LEU   31  10.50 +/- 3.04   5.135% *  0.0817% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - QD2   LEU   31   8.58 +/- 3.16   7.493% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.008%
        T QB    ALA   84 - QD2   LEU   31  13.50 +/- 4.10   0.707% *  0.4024% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HG2   LYS+  38 - QD2   LEU   31  10.95 +/- 1.82   2.373% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD2   LEU   31  13.18 +/- 6.63   1.323% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   31 - QG2   VAL   43   9.66 +/- 3.22   1.794% *  0.0662% (0.07   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD2   LEU   31  12.83 +/- 2.55   1.219% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD2   LEU   31  11.52 +/- 1.55   0.886% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QG2   VAL   43   8.78 +/- 3.10   4.237% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   31  16.37 +/- 3.37   0.427% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   VAL   43   7.02 +/- 1.81   7.744% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   31  16.30 +/- 4.53   0.439% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  21.10 +/- 2.18   0.129% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.98 +/- 1.51   0.279% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.99 +/- 1.76   1.596% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   8.93 +/- 1.82   2.321% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.72 +/- 1.24   0.776% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  11.45 +/- 2.90   1.532% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.54 +/- 1.09   1.333% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.39 +/- 1.97   0.324% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.79 +/- 1.16   0.334% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.39 +/- 1.89   0.265% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.9:
    * O T HB3   LEU   31 - QD2   LEU   31   2.90 +/- 0.30  57.626% * 99.5873% (1.00  10.0 10.00   5.75 231.95) =  99.984%  kept
          QG1   VAL   24 - QD2   LEU   31   6.53 +/- 0.84   6.315% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   LEU   31 - QG2   VAL   43   8.99 +/- 3.13   4.082% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   20 - QD2   LEU   31   8.72 +/- 1.05   2.650% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - QD2   LEU   31  15.31 +/- 3.15   0.727% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG2   VAL   43  10.05 +/- 3.69  12.228% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD2   LEU   31  15.86 +/- 3.71   0.539% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   9.02 +/- 2.83   4.737% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.29 +/- 1.08   0.821% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  20.02 +/- 3.43   0.229% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.99 +/- 1.34   0.714% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.45 +/- 1.10   0.848% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.22 +/- 0.94   3.175% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.47 +/- 1.23   3.831% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  14.78 +/- 3.08   0.792% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  14.43 +/- 2.69   0.686% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.798, support = 5.88, residual support = 231.0:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  55.550% * 97.8208% (0.80  10.0 10.00   5.90 231.95) =  99.590%  kept
          QG1   VAL   41 - QD2   LEU   31   5.39 +/- 1.91  12.056% *  1.0113% (0.25   1.0  1.00   0.66   0.02) =   0.223%  kept
          QD2   LEU   73 - QD2   LEU   31   5.74 +/- 2.60   8.326% *  0.6094% (0.92   1.0  1.00   0.11   1.32) =   0.093%
          QD2   LEU   73 - QG2   VAL   43   4.52 +/- 1.40  16.973% *  0.2862% (0.06   1.0  1.00   0.75   6.16) =   0.089%
        T HG    LEU   31 - QG2   VAL   43   7.94 +/- 3.13   2.537% *  0.0662% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - QD2   LEU   31  13.88 +/- 2.43   0.368% *  0.1219% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD2   LEU   31  15.56 +/- 3.98   0.318% *  0.0692% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.18 +/- 0.95   2.966% *  0.0021% (0.02   1.0  1.00   0.02   1.33) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.12 +/- 1.57   0.677% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.18 +/- 2.54   0.228% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.9:
    * O T QD1   LEU   31 - QD2   LEU   31   2.02 +/- 0.07  89.514% * 99.9324% (1.00  10.0 10.00   4.62 231.95) =  99.992%  kept
        T QD1   LEU   31 - QG2   VAL   43   6.15 +/- 3.00  10.486% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.008%
    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 = 38.4:
    * O T QB    GLN   32 - HA    GLN   32   2.46 +/- 0.10  45.497% * 48.1971% (0.69  10.0 10.00   3.10  44.65) =  79.431%  kept
        T QB    GLN   32 - HA    LYS+  33   4.04 +/- 0.21  10.669% * 49.5981% (0.71   1.0 10.00   4.43  15.48) =  19.168%  kept
        T QB    GLN   32 - HA    GLU-  29   2.99 +/- 0.42  28.910% *  1.3230% (0.45   1.0 10.00   0.08   0.02) =   1.385%  kept
          HG3   GLU- 100 - HA    GLN   32  11.17 +/- 3.44   7.402% *  0.0386% (0.55   1.0  1.00   0.02   0.02) =   0.010%
          HG3   GLU- 100 - HA    LYS+  33  11.61 +/- 2.91   0.906% *  0.0397% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.74 +/- 0.37   0.550% *  0.0311% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    GLU-  29  14.70 +/- 5.41   3.040% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLN   32  14.51 +/- 0.62   0.223% *  0.0478% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  15.49 +/- 3.26   0.394% *  0.0251% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.24 +/- 0.59   0.162% *  0.0492% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.51 +/- 5.16   1.003% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  19.12 +/- 3.16   0.146% *  0.0458% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  27.14 +/- 4.01   0.066% *  0.0982% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  26.49 +/- 3.80   0.060% *  0.0954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.06 +/- 2.68   0.106% *  0.0445% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  16.45 +/- 5.39   0.621% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  26.72 +/- 4.21   0.062% *  0.0621% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.07 +/- 3.13   0.105% *  0.0290% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.42 +/- 2.86   0.026% *  0.0954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.82 +/- 2.99   0.023% *  0.0982% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  29.73 +/- 2.93   0.028% *  0.0621% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.683, support = 3.23, residual support = 39.0:
    * O T QG    GLN   32 - HA    GLN   32   2.32 +/- 0.28  66.487% * 45.7101% (0.69  10.0 10.00   3.10  44.65) =  82.204%  kept
        T QG    GLN   32 - HA    LYS+  33   4.41 +/- 0.59  11.724% * 47.0388% (0.71   1.0 10.00   4.51  15.48) =  14.917%  kept
        T QG    GLN   32 - HA    GLU-  29   4.80 +/- 0.75  16.256% *  6.5143% (0.45   1.0 10.00   0.44   0.02) =   2.864%  kept
        T HB2   GLU- 100 - HA    GLN   32  10.97 +/- 3.99   2.871% *  0.1271% (0.19   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   GLU- 100 - HA    LYS+  33  11.75 +/- 2.91   0.753% *  0.1308% (0.20   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    GLU-  29  15.30 +/- 3.64   0.406% *  0.0827% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU-  29  16.96 +/- 5.98   0.316% *  0.0258% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  19.00 +/- 4.55   0.169% *  0.0397% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  19.80 +/- 4.30   0.141% *  0.0408% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  27.92 +/- 3.48   0.057% *  0.0931% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  27.86 +/- 4.30   0.066% *  0.0589% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.31 +/- 1.40   0.085% *  0.0277% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.74 +/- 1.97   0.081% *  0.0285% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.58 +/- 1.95   0.075% *  0.0180% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.79 +/- 2.63   0.087% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.35 +/- 1.89   0.068% *  0.0105% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.54 +/- 3.96   0.069% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.71 +/- 4.07   0.065% *  0.0105% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  21.45 +/- 2.98   0.094% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.05 +/- 4.46   0.076% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  26.84 +/- 3.14   0.055% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.708, support = 3.29, residual support = 37.6:
    * O T HA    GLN   32 - QB    GLN   32   2.46 +/- 0.10  52.915% * 45.8470% (0.69  10.0 10.00   3.10  44.65) =  77.215%  kept
        T HA    LYS+  33 - QB    GLN   32   4.04 +/- 0.21  12.382% * 51.0076% (0.76   1.0 10.00   4.43  15.48) =  20.101%  kept
        T HA    GLU-  29 - QB    GLN   32   2.99 +/- 0.42  33.365% *  2.5246% (0.90   1.0 10.00   0.08   0.02) =   2.681%  kept
          HA    VAL   18 - QB    GLN   32  13.87 +/- 2.08   0.430% *  0.0616% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    GLN   32  20.22 +/- 8.57   0.263% *  0.0644% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - QB    GLN   32  26.62 +/- 2.18   0.045% *  0.3249% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  14.06 +/- 1.97   0.360% *  0.0299% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  24.68 +/- 3.45   0.061% *  0.0616% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  24.88 +/- 6.05   0.077% *  0.0485% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  23.08 +/- 3.55   0.103% *  0.0299% (0.45   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 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 = 44.6:
    * O T QG    GLN   32 - QB    GLN   32   2.11 +/- 0.03  97.592% * 99.7611% (1.00  10.0 10.00   3.20  44.65) =  99.999%  kept
          HB2   GLU- 100 - QB    GLN   32  11.74 +/- 3.36   1.635% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  16.58 +/- 4.72   0.334% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.06 +/- 1.48   0.119% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  19.88 +/- 2.48   0.130% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  23.55 +/- 3.84   0.104% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  24.92 +/- 3.47   0.085% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.71, support = 3.17, residual support = 37.7:
    * O T HA    GLN   32 - QG    GLN   32   2.32 +/- 0.28  69.513% * 41.4679% (0.69  10.0 10.00   3.10  44.65) =  78.990%  kept
        T HA    LYS+  33 - QG    GLN   32   4.41 +/- 0.59  12.253% * 46.1357% (0.76   1.0 10.00   4.51  15.48) =  15.491%  kept
        T HA    GLU-  29 - QG    GLN   32   4.80 +/- 0.75  16.982% * 11.8557% (0.90   1.0 10.00   0.44   0.02) =   5.517%  kept
        T HA    GLN  116 - QG    GLN   32  23.88 +/- 3.40   0.100% *  0.2707% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QG    GLN   32  15.24 +/- 2.21   0.416% *  0.0557% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG    GLN   32  21.32 +/- 8.34   0.225% *  0.0583% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.77 +/- 2.05   0.330% *  0.0271% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  26.00 +/- 3.13   0.061% *  0.0557% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  25.83 +/- 5.86   0.075% *  0.0438% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.84 +/- 2.21   0.045% *  0.0294% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 44.6:
    * O T QB    GLN   32 - QG    GLN   32   2.11 +/- 0.03  94.291% * 99.6746% (1.00  10.0 10.00   3.20  44.65) =  99.996%  kept
          HG3   GLU- 100 - QG    GLN   32  11.48 +/- 3.15   3.973% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   24 - QG    GLN   32  13.53 +/- 0.88   0.374% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  15.24 +/- 4.96   1.089% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.66 +/- 2.44   0.142% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  25.35 +/- 3.84   0.090% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.61 +/- 2.78   0.041% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 0.979, support = 6.4, residual support = 150.6:
    * O T QB    LYS+  33 - HA    LYS+  33   2.18 +/- 0.04  69.757% * 74.0276% (1.00  10.0 10.00   6.50 154.86) =  97.072%  kept
        T QB    LYS+  33 - HA    GLN   32   5.36 +/- 0.16   4.675% * 19.0378% (0.26   1.0 10.00   4.86  15.48) =   1.673%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.17 +/- 1.50  14.102% *  4.7139% (0.28   1.0 10.00   0.46   0.02) =   1.250%  kept
        T QB    LYS+  81 - HA    LYS+  33  24.24 +/- 4.55   0.065% *  0.7144% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   7.86 +/- 0.38   1.532% *  0.0185% (0.25   1.0  1.00   0.02   0.52) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  20.89 +/- 6.25   0.138% *  0.1995% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HA    LYS+  33  10.13 +/- 0.50   0.714% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.93 +/- 0.38   3.653% *  0.0052% (0.07   1.0  1.00   0.02  26.20) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  22.69 +/- 5.21   0.089% *  0.1837% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  20.07 +/- 3.25   0.190% *  0.0683% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  17.00 +/- 2.10   0.173% *  0.0700% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  18.57 +/- 2.39   0.141% *  0.0726% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.62 +/- 0.32   1.676% *  0.0047% (0.06   1.0  1.00   0.02   1.74) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.17 +/- 1.31   0.109% *  0.0700% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  14.72 +/- 4.12   0.393% *  0.0180% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.42 +/- 3.03   0.027% *  0.1846% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  11.00 +/- 0.63   0.554% *  0.0078% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  17.30 +/- 3.82   0.202% *  0.0196% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  17.34 +/- 2.23   0.169% *  0.0187% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.51 +/- 2.29   0.156% *  0.0180% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.69 +/- 3.28   0.160% *  0.0176% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.47 +/- 4.54   0.037% *  0.0714% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  26.94 +/- 3.90   0.057% *  0.0419% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  19.73 +/- 2.77   0.115% *  0.0203% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.06 +/- 2.20   0.116% *  0.0196% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  21.63 +/- 3.40   0.100% *  0.0191% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  31.56 +/- 3.00   0.025% *  0.0734% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.08 +/- 0.95   0.215% *  0.0085% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.55 +/- 2.82   0.032% *  0.0515% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.02 +/- 2.69   0.029% *  0.0475% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  24.54 +/- 3.85   0.063% *  0.0185% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  28.83 +/- 4.58   0.050% *  0.0199% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  28.62 +/- 4.29   0.038% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  29.61 +/- 4.38   0.040% *  0.0184% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.06 +/- 3.92   0.058% *  0.0117% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  29.57 +/- 3.87   0.033% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  25.88 +/- 3.43   0.055% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  25.62 +/- 4.50   0.080% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.90 +/- 2.05   0.032% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  24.20 +/- 3.58   0.065% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.76 +/- 2.64   0.042% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.03 +/- 2.53   0.041% *  0.0029% (0.04   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 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.952, support = 6.1, residual support = 145.7:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.37 +/- 0.21  45.139% * 72.9259% (1.00  10.0 10.00   6.28 154.86) =  93.547%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.02 +/- 0.81   9.535% * 18.7545% (0.26   1.0 10.00   4.22  15.48) =   5.082%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.31 +/- 1.19   9.648% *  4.6373% (0.28   1.0 10.00   0.46   0.02) =   1.271%  kept
        T HG3   LYS+ 102 - HA    GLN   32  12.67 +/- 5.23   9.084% *  0.1774% (0.24   1.0 10.00   0.02   0.02) =   0.046%
        T HG3   LYS+ 102 - HA    LYS+  33  14.93 +/- 3.27   1.221% *  0.6898% (0.95   1.0 10.00   0.02   0.02) =   0.024%
        T HG3   LYS+ 102 - HA    GLU-  29  15.98 +/- 5.12   0.956% *  0.1926% (0.26   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HA    LYS+  33  19.85 +/- 1.66   0.234% *  0.5839% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HA    LYS+  33  22.12 +/- 2.36   0.183% *  0.7228% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - HA    LYS+  33  14.58 +/- 3.99   1.119% *  0.0584% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    GLN   32  17.99 +/- 3.01   0.363% *  0.1502% (0.21   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+  33  14.82 +/- 3.22   0.715% *  0.0704% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+  33  14.97 +/- 1.63   0.662% *  0.0723% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  12.13 +/- 1.85   1.148% *  0.0384% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    GLU-  29  21.63 +/- 2.31   0.211% *  0.2018% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLU-  29  19.85 +/- 2.87   0.260% *  0.1630% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  14.92 +/- 4.39   2.260% *  0.0163% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLN   32  16.25 +/- 4.94   2.239% *  0.0150% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    GLN   32  22.28 +/- 2.08   0.179% *  0.1859% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  10.65 +/- 3.29   2.413% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  13.42 +/- 4.04   1.129% *  0.0196% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLN   32  14.78 +/- 3.17   0.704% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.61 +/- 1.45   0.679% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.98 +/- 2.92   1.151% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.77 +/- 1.64   0.533% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.66 +/- 2.31   0.819% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.62 +/- 1.85   0.362% *  0.0203% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  29.62 +/- 4.13   0.093% *  0.0654% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  22.59 +/- 4.95   0.325% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.03 +/- 3.76   1.842% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  22.60 +/- 3.88   0.190% *  0.0162% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  16.30 +/- 2.45   0.509% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  22.77 +/- 6.53   0.232% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.76 +/- 3.25   0.761% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.60 +/- 1.90   0.425% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  28.97 +/- 4.45   0.113% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  26.21 +/- 1.92   0.102% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  23.60 +/- 5.41   0.340% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  19.60 +/- 8.29   0.528% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  28.29 +/- 3.74   0.098% *  0.0168% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  19.92 +/- 5.20   0.352% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  21.51 +/- 4.85   0.304% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  21.00 +/- 4.60   0.269% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  21.22 +/- 7.20   0.332% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.77 +/- 1.85   0.119% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.84 +/- 1.79   0.118% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.957, support = 4.88, residual support = 146.5:
    *   T QD    LYS+  33 - HA    LYS+  33   3.63 +/- 0.72  62.956% * 75.0830% (1.00 10.00   5.03 154.86) =  94.175%  kept
        T QD    LYS+  33 - HA    GLN   32   6.71 +/- 1.09  10.671% * 19.3092% (0.26 10.00   3.34  15.48) =   4.105%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.18 +/- 1.20  20.150% *  4.2697% (0.28 10.00   0.41   0.02) =   1.714%  kept
        T HD3   LYS+ 111 - HA    LYS+  33  32.49 +/- 3.10   0.110% *  0.6734% (0.90 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  22.59 +/- 3.50   0.887% *  0.0651% (0.87  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLU-  29  31.76 +/- 3.33   0.128% *  0.1880% (0.25 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  25.11 +/- 4.18   0.310% *  0.0751% (1.00  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  30.86 +/- 2.52   0.128% *  0.1732% (0.23 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  33  19.54 +/- 2.21   0.498% *  0.0425% (0.57  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.68 +/- 3.67   0.757% *  0.0182% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  21.99 +/- 3.42   0.771% *  0.0167% (0.22  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.95 +/- 3.00   0.759% *  0.0119% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  26.39 +/- 4.82   0.326% *  0.0210% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  24.80 +/- 3.95   0.329% *  0.0193% (0.26  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.24 +/- 2.46   0.569% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.05 +/- 4.49   0.191% *  0.0149% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.47 +/- 4.38   0.243% *  0.0041% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  30.20 +/- 4.31   0.216% *  0.0038% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.15 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 5.16, residual support = 111.1:
    *   T QE    LYS+  33 - HA    LYS+  33   3.90 +/- 0.88  26.337% * 48.6354% (1.00 10.00   5.71 154.86) =  67.965%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.18 +/- 0.25  20.852% * 13.3096% (0.27 10.00   5.73  32.71) =  14.726%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.48 +/- 0.25   9.121% * 16.5899% (0.34 10.00   2.85   4.66) =   8.029%  kept
        T HB2   ASN   35 - HA    GLN   32   4.48 +/- 0.75  18.432% *  4.2665% (0.09 10.00   2.08   3.69) =   4.173%  kept
        T QE    LYS+  33 - HA    GLN   32   6.70 +/- 1.36   5.018% * 12.5076% (0.26 10.00   3.58  15.48) =   3.330%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.20 +/- 1.64  10.405% *  3.0977% (0.28 10.00   0.46   0.02) =   1.710%  kept
        T HB2   ASN   28 - HA    LYS+  33  10.40 +/- 0.95   1.469% *  0.4767% (0.98 10.00   0.02   0.02) =   0.037%
        T HB2   ASN   28 - HA    GLN   32   8.37 +/- 0.71   2.685% *  0.1226% (0.25 10.00   0.02   0.02) =   0.017%
        T HB2   ASN   35 - HA    GLU-  29   9.50 +/- 0.89   1.825% *  0.0463% (0.10 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    LYS+  33  21.17 +/- 2.69   0.166% *  0.4362% (0.90 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLU-  29  20.65 +/- 2.45   0.195% *  0.1218% (0.25 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HA    GLN   32  21.39 +/- 2.36   0.171% *  0.1122% (0.23 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    LYS+  33  22.05 +/- 3.20   0.156% *  0.1083% (0.22 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  19.45 +/- 4.58   0.262% *  0.0302% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  25.40 +/- 7.21   0.160% *  0.0334% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  16.27 +/- 3.74   0.711% *  0.0075% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  21.17 +/- 3.45   0.190% *  0.0278% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.88 +/- 2.94   0.092% *  0.0315% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  22.61 +/- 8.71   0.306% *  0.0093% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  23.04 +/- 8.49   0.320% *  0.0086% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  22.92 +/- 4.49   0.150% *  0.0088% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.69 +/- 3.32   0.115% *  0.0081% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  18.89 +/- 3.63   0.435% *  0.0021% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  17.22 +/- 3.12   0.427% *  0.0019% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.986, support = 6.22, residual support = 145.9:
    * O T HA    LYS+  33 - QB    LYS+  33   2.18 +/- 0.04  72.722% * 66.4748% (1.00  10.0 10.00   6.50 154.86) =  94.056%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.17 +/- 1.50  14.704% * 14.6321% (0.97   1.0 10.00   0.46   0.02) =   4.186%  kept
        T HA    GLN   32 - QB    LYS+  33   5.36 +/- 0.16   4.874% * 18.4825% (0.28   1.0 10.00   4.86  15.48) =   1.753%  kept
          HA    VAL   70 - QB    LYS+  33  12.00 +/- 2.66   1.861% *  0.0577% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QB    LYS+  33   6.15 +/- 1.17   4.469% *  0.0148% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QB    LYS+  33  11.95 +/- 2.93   0.932% *  0.0629% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  21.65 +/- 6.94   0.141% *  0.0596% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  22.32 +/- 3.54   0.127% *  0.0577% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.35 +/- 2.47   0.047% *  0.1026% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  24.31 +/- 3.50   0.067% *  0.0350% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  26.04 +/- 4.63   0.055% *  0.0205% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 154.8:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.48 +/- 0.07  90.368% * 96.3761% (1.00  10.0 10.00   6.21 154.86) =  99.971%  kept
        T HG3   LYS+ 102 - QB    LYS+  33  13.96 +/- 2.76   1.092% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.011%
        T QB    LEU   98 - QB    LYS+  33  10.90 +/- 1.51   1.237% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  65 - QB    LYS+  33  18.61 +/- 2.55   0.285% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QB    LYS+  33  17.57 +/- 1.63   0.273% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  11.88 +/- 3.34   1.421% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QB    LYS+  33  12.70 +/- 1.92   1.285% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QB    LYS+  33  12.21 +/- 3.20   1.378% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+  33  14.42 +/- 2.11   0.560% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.33 +/- 1.87   0.853% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  25.74 +/- 4.09   0.121% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  20.00 +/- 4.49   0.405% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  19.42 +/- 3.58   0.246% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  19.36 +/- 6.11   0.344% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  22.48 +/- 2.12   0.133% *  0.0240% (0.25   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 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 154.9:
    * O T QD    LYS+  33 - QB    LYS+  33   2.25 +/- 0.17  98.758% * 97.3258% (1.00  10.0 10.00   5.03 154.86) =  99.995%  kept
        T HD2   LYS+  74 - QB    LYS+  33  16.19 +/- 2.37   0.383% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  123 - QB    LYS+  33  22.04 +/- 3.70   0.158% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - QB    LYS+  33  28.45 +/- 3.20   0.069% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  19.27 +/- 3.31   0.540% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.58 +/- 3.97   0.091% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 154.6:
    *   T QE    LYS+  33 - QB    LYS+  33   2.70 +/- 0.48  84.437% * 96.4935% (1.00 10.00   5.76 154.86) =  99.802%  kept
          HB2   ASN   35 - QB    LYS+  33   6.79 +/- 0.27   6.825% *  2.1881% (0.34  1.00   1.33   4.66) =   0.183%  kept
        T QE    LYS+  65 - QB    LYS+  33  17.85 +/- 2.73   0.673% *  0.8654% (0.90 10.00   0.02   0.02) =   0.007%
          HB2   ASN   28 - QB    LYS+  33   8.49 +/- 1.25   4.791% *  0.0946% (0.98  1.00   0.02   0.02) =   0.006%
        T HB2   ASP-  76 - QB    LYS+  33  18.47 +/- 3.30   0.460% *  0.2148% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QB    LYS+  33  14.21 +/- 3.53   2.142% *  0.0149% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  22.13 +/- 6.38   0.413% *  0.0663% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.93 +/- 3.06   0.259% *  0.0624% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.958, support = 5.91, residual support = 140.3:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.37 +/- 0.21  36.574% * 64.1914% (1.00  10.0 10.00   6.28 154.86) =  90.054%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.02 +/- 0.81   7.989% * 17.8476% (0.28   1.0 10.00   4.22  15.48) =   5.470%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.31 +/- 1.19   8.084% * 14.1097% (0.97   1.0 10.00   0.46   0.02) =   4.375%  kept
        T HA    GLN   32 - HG3   LYS+ 102  12.67 +/- 5.23   8.016% *  0.0887% (0.14   1.0 10.00   0.02   0.02) =   0.027%
        T HA    LYS+  33 - HG3   LYS+ 102  14.93 +/- 3.27   1.061% *  0.3189% (0.50   1.0 10.00   0.02   0.02) =   0.013%
        T HA    GLU-  29 - HG3   LYS+ 102  15.98 +/- 5.12   0.815% *  0.3077% (0.48   1.0 10.00   0.02   0.02) =   0.010%
          HA    SER   48 - HG3   LYS+  65  14.78 +/- 6.20   8.396% *  0.0292% (0.45   1.0  1.00   0.02   0.02) =   0.009%
          HB2   SER   37 - HG3   LYS+  33   6.14 +/- 2.18  15.250% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.008%
          HA    VAL   18 - HG3   LYS+  65  11.55 +/- 4.97   2.156% *  0.0524% (0.82   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+  65  21.63 +/- 2.31   0.179% *  0.5350% (0.83   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  33 - HG3   LYS+  65  22.12 +/- 2.36   0.154% *  0.5543% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HG3   LYS+ 106  19.85 +/- 2.87   0.209% *  0.3937% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 106  19.85 +/- 1.66   0.192% *  0.4079% (0.64   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   LYS+  33  12.26 +/- 2.72   1.263% *  0.0557% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   18 - HG3   LYS+  33  12.54 +/- 3.18   1.099% *  0.0607% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   LYS+  65  11.81 +/- 1.24   0.943% *  0.0481% (0.75   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  17.99 +/- 3.01   0.298% *  0.1134% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+  65  22.28 +/- 2.08   0.152% *  0.1541% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+  65  14.86 +/- 1.63   0.472% *  0.0481% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  14.42 +/- 2.27   0.568% *  0.0354% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  16.07 +/- 3.23   0.438% *  0.0354% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+  33  23.92 +/- 3.98   0.243% *  0.0557% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  23.60 +/- 7.26   0.218% *  0.0576% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  20.45 +/- 2.29   0.190% *  0.0629% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  19.64 +/- 4.57   0.286% *  0.0386% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  19.90 +/- 4.64   0.264% *  0.0366% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  17.13 +/- 3.37   0.340% *  0.0277% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  22.09 +/- 6.69   0.318% *  0.0286% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  16.02 +/- 4.19   0.947% *  0.0086% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  23.69 +/- 3.54   0.138% *  0.0497% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.30 +/- 4.48   0.192% *  0.0302% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  14.57 +/- 2.35   0.676% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  21.64 +/- 2.76   0.171% *  0.0277% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  18.12 +/- 3.71   0.334% *  0.0126% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.35 +/- 3.89   0.112% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.46 +/- 2.14   0.167% *  0.0215% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.42 +/- 2.82   0.244% *  0.0123% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  24.62 +/- 4.27   0.135% *  0.0171% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  18.29 +/- 1.75   0.251% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  23.67 +/- 5.98   0.173% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  28.28 +/- 4.86   0.080% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.46 +/- 2.54   0.072% *  0.0168% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.51 +/- 2.59   0.077% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  27.99 +/- 1.45   0.065% *  0.0049% (0.08   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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.842, support = 6.08, residual support = 145.4:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.48 +/- 0.07  36.750% * 52.3424% (1.00  10.0 10.00   6.21 154.86) =  60.526%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.44 +/- 0.10  38.395% * 31.4635% (0.60  10.0 10.00   5.93 135.02) =  38.012%  kept
          HB    ILE  103 - HG3   LYS+ 102   5.56 +/- 1.08   4.548% *  5.3398% (0.47   1.0  1.00   4.34  23.65) =   0.764%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.92 +/- 0.40   2.836% *  7.4987% (0.62   1.0  1.00   4.60  23.72) =   0.669%  kept
        T QB    LYS+ 106 - HG3   LYS+ 102  10.88 +/- 1.79   0.553% *  0.2460% (0.47   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE  103 - HG3   LYS+ 106   5.61 +/- 1.15   4.126% *  0.0315% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  33 - HG3   LYS+ 102  13.96 +/- 2.76   0.462% *  0.2600% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+  65  17.81 +/- 3.71   0.245% *  0.4276% (0.82   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HG3   LYS+  65   9.62 +/- 2.23   1.264% *  0.0417% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - HG3   LYS+  65  18.61 +/- 2.55   0.116% *  0.4520% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  33  18.01 +/- 1.55   0.105% *  0.4951% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG3   LYS+  33   5.66 +/- 0.95   3.878% *  0.0131% (0.25   1.0  1.00   0.02   0.52) =   0.002%
        T QB    LYS+  33 - HG3   LYS+ 106  17.57 +/- 1.63   0.112% *  0.3326% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   LYS+  65  14.23 +/- 3.72   0.818% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG3   LYS+ 102  10.89 +/- 1.95   0.646% *  0.0255% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+  33  10.60 +/- 1.44   0.546% *  0.0215% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  17.44 +/- 2.76   0.152% *  0.0513% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  13.67 +/- 2.16   0.302% *  0.0256% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  16.42 +/- 1.90   0.151% *  0.0495% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  18.26 +/- 3.33   0.150% *  0.0483% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  18.66 +/- 3.08   0.117% *  0.0443% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  19.66 +/- 3.64   0.105% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  13.83 +/- 2.46   0.324% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  22.76 +/- 4.88   0.077% *  0.0448% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  22.60 +/- 4.44   0.065% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  22.15 +/- 3.27   0.070% *  0.0428% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  19.34 +/- 2.86   0.093% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.83 +/- 1.57   0.153% *  0.0188% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  20.93 +/- 4.04   0.091% *  0.0307% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  19.84 +/- 2.12   0.079% *  0.0330% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  14.98 +/- 4.07   0.365% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  24.86 +/- 3.99   0.074% *  0.0296% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  19.03 +/- 4.64   0.312% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.19 +/- 4.53   0.043% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  22.52 +/- 4.30   0.083% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  17.56 +/- 3.45   0.185% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  23.34 +/- 3.76   0.085% *  0.0240% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.38 +/- 3.29   0.180% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  22.17 +/- 2.21   0.057% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.20 +/- 2.31   0.129% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  16.55 +/- 2.10   0.147% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  29.60 +/- 2.96   0.024% *  0.0519% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  21.44 +/- 2.29   0.064% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  16.53 +/- 2.27   0.140% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.35 +/- 4.23   0.123% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.90 +/- 1.74   0.192% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  26.59 +/- 3.76   0.037% *  0.0258% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  23.13 +/- 4.31   0.067% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.63 +/- 2.51   0.084% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  23.59 +/- 2.20   0.047% *  0.0147% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  29.29 +/- 3.33   0.026% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.49 +/- 5.07   0.072% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.28 +/- 3.16   0.029% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.90 +/- 2.27   0.030% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  23.10 +/- 2.01   0.050% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.72 +/- 1.83   0.027% *  0.0065% (0.12   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 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 = 154.8:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.36 +/- 0.16  77.541% * 94.8130% (1.00  10.0 10.00   4.54 154.86) =  99.974%  kept
          HD2   LYS+  74 - HG3   LYS+  65   9.43 +/- 3.88  16.351% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.010%
        T QD    LYS+  33 - HG3   LYS+ 102  14.71 +/- 2.81   0.602% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  33 - HG3   LYS+  65  17.92 +/- 2.60   0.220% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG3   LYS+ 106  16.17 +/- 1.81   0.285% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 106  17.85 +/- 1.61   0.189% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG3   LYS+  65  21.45 +/- 3.30   0.152% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG3   LYS+  65  10.35 +/- 1.86   1.237% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  30.68 +/- 3.49   0.040% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  25.29 +/- 2.72   0.074% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.80 +/- 3.38   0.299% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  18.16 +/- 3.33   0.247% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  14.75 +/- 3.80   1.054% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  15.99 +/- 2.08   0.303% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  18.94 +/- 4.26   0.225% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  17.06 +/- 2.48   0.240% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  23.85 +/- 4.56   0.107% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  22.75 +/- 5.64   0.169% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.68 +/- 2.15   0.222% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  21.71 +/- 2.12   0.112% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  21.38 +/- 2.07   0.118% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.52 +/- 2.17   0.105% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  28.75 +/- 4.46   0.061% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  29.69 +/- 3.37   0.047% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.903, support = 4.9, residual support = 156.8:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.70 +/- 0.57  40.793% * 54.6859% (1.00  10.0 10.00   5.31 154.86) =  57.239%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.69 +/- 0.51  39.330% * 42.3520% (0.77  10.0 10.00   4.35 159.52) =  42.740%  kept
        T QE    LYS+  33 - HG3   LYS+ 102  14.49 +/- 2.88   0.480% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HG3   LYS+ 106  18.94 +/- 4.37   0.359% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HB2   ASN   35 - HG3   LYS+ 102  12.47 +/- 4.64  10.044% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+  65  18.14 +/- 2.17   0.156% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+ 106  17.75 +/- 1.85   0.196% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASP-  76 - HG3   LYS+  65  14.24 +/- 3.90   0.634% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+  33  18.97 +/- 2.78   0.132% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.63 +/- 1.21   0.918% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.43 +/- 0.39   2.040% *  0.0187% (0.34   1.0  1.00   0.02   4.66) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.40 +/- 3.56   0.077% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  18.29 +/- 2.77   0.190% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.86 +/- 4.59   0.452% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  19.80 +/- 3.45   0.110% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  16.67 +/- 5.50   0.400% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  14.81 +/- 4.15   1.083% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.95 +/- 2.86   0.180% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  15.67 +/- 4.74   0.345% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  22.00 +/- 3.24   0.118% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  19.42 +/- 7.19   0.319% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.28 +/- 3.77   0.136% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.39 +/- 2.07   0.620% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.55 +/- 2.91   0.134% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  23.25 +/- 3.89   0.086% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  23.94 +/- 6.74   0.073% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.76 +/- 3.14   0.062% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.60 +/- 2.94   0.129% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.30 +/- 2.02   0.080% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  25.03 +/- 3.33   0.072% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.72 +/- 3.80   0.126% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  20.49 +/- 4.04   0.124% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.966, support = 4.68, residual support = 139.6:
    *   T HA    LYS+  33 - QD    LYS+  33   3.63 +/- 0.72  41.604% * 66.4987% (1.00 10.00   5.03 154.86) =  89.736%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.18 +/- 1.20  13.838% * 13.0717% (0.97 10.00   0.41   0.02) =   5.867%  kept
        T HA    GLN   32 - QD    LYS+  33   6.71 +/- 1.09   7.269% * 18.4891% (0.28 10.00   3.34  15.48) =   4.359%  kept
          HB2   SER   37 - QD    LYS+  33   6.02 +/- 2.16  22.404% *  0.0148% (0.22  1.00   0.02   0.02) =   0.011%
          HA    GLN  116 - HD3   LYS+ 111  11.56 +/- 2.11   6.264% *  0.0517% (0.78  1.00   0.02   0.02) =   0.011%
          HA    VAL   18 - QD    LYS+  33  10.99 +/- 3.19   2.706% *  0.0629% (0.95  1.00   0.02   0.02) =   0.006%
          HA    VAL   70 - QD    LYS+  33  11.60 +/- 2.62   2.081% *  0.0577% (0.87  1.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HD3   LYS+ 111  31.76 +/- 3.33   0.077% *  0.5751% (0.86 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HD3   LYS+ 111  32.49 +/- 3.10   0.069% *  0.5959% (0.90 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  21.87 +/- 6.65   0.388% *  0.0596% (0.90  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QD    LYS+  33  22.17 +/- 3.80   0.353% *  0.0577% (0.87  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HD3   LYS+ 111  30.86 +/- 2.52   0.082% *  0.1657% (0.25 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  20.64 +/- 3.91   0.395% *  0.0314% (0.47  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.98 +/- 3.95   0.309% *  0.0350% (0.53  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  26.08 +/- 4.87   0.182% *  0.0564% (0.85  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.02 +/- 2.94   0.185% *  0.0517% (0.78  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.79 +/- 3.26   0.864% *  0.0092% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  26.77 +/- 3.73   0.137% *  0.0534% (0.80  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.90 +/- 3.54   0.345% *  0.0184% (0.28  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  26.18 +/- 4.36   0.159% *  0.0205% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.05 +/- 2.70   0.205% *  0.0103% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  30.36 +/- 2.58   0.084% *  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 = 5.02, residual support = 154.7:
    * O T QB    LYS+  33 - QD    LYS+  33   2.25 +/- 0.17  84.519% * 92.6433% (1.00  10.0 10.00   5.03 154.86) =  99.863%  kept
          HB3   GLN   30 - QD    LYS+  33   5.89 +/- 0.63   5.613% *  1.6603% (0.25   1.0  1.00   1.44   0.52) =   0.119%  kept
        T HG3   PRO   68 - QD    LYS+  33  16.67 +/- 3.26   0.353% *  0.8552% (0.92   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU  123 - HD3   LYS+ 111  18.57 +/- 3.28   1.067% *  0.2070% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   ARG+  54 - HD3   LYS+ 111  17.01 +/- 3.00   0.250% *  0.8012% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   ARG+  54 - QD    LYS+  33  25.62 +/- 4.57   0.133% *  0.8941% (0.97   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HD3   LYS+ 111  24.78 +/- 3.88   0.140% *  0.7664% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HD3   LYS+ 111  11.47 +/- 3.36   2.197% *  0.0470% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  28.45 +/- 3.20   0.059% *  0.8302% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   LYS+ 111  12.83 +/- 1.57   0.598% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33  10.40 +/- 1.30   1.223% *  0.0381% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - QD    LYS+  33  21.27 +/- 4.10   0.192% *  0.2310% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+  33  16.69 +/- 2.95   0.372% *  0.0908% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  15.97 +/- 1.67   0.289% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  16.54 +/- 1.92   0.269% *  0.0814% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.14 +/- 1.66   0.227% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  19.41 +/- 3.36   0.182% *  0.0823% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  13.37 +/- 3.31   0.675% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  20.74 +/- 4.23   0.144% *  0.0894% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.88 +/- 3.86   0.222% *  0.0525% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  20.70 +/- 1.93   0.126% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  13.10 +/- 2.93   0.747% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  23.01 +/- 3.14   0.104% *  0.0801% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  27.26 +/- 2.68   0.051% *  0.0918% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.83 +/- 3.19   0.078% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  30.08 +/- 2.80   0.041% *  0.0341% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.39 +/- 3.38   0.060% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.93 +/- 1.88   0.067% *  0.0143% (0.15   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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 153.8:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.36 +/- 0.16  82.723% * 79.1556% (1.00  10.0 10.00   4.54 154.86) =  99.194%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.80 +/- 1.14   3.410% * 15.1067% (0.80   1.0  1.00   4.75  28.90) =   0.780%  kept
        T HG3   LYS+ 102 - QD    LYS+  33  14.71 +/- 2.81   0.634% *  0.7488% (0.95   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  65 - QD    LYS+  33  17.92 +/- 2.60   0.242% *  0.7846% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - HD3   LYS+ 111  16.17 +/- 1.81   0.303% *  0.5680% (0.72   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QD    LYS+  33  17.85 +/- 1.61   0.203% *  0.6338% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HD3   LYS+ 111  21.45 +/- 3.30   0.165% *  0.7030% (0.89   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - QD    LYS+  33  11.47 +/- 3.57   1.834% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QD    LYS+  33  11.60 +/- 3.13   1.233% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  11.20 +/- 3.59   3.745% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  16.68 +/- 3.33   0.357% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  33  12.50 +/- 1.68   0.714% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HD3   LYS+ 111  25.29 +/- 2.72   0.080% *  0.6710% (0.85   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    LYS+  33  11.28 +/- 1.33   0.902% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  30.68 +/- 3.49   0.044% *  0.7093% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  22.81 +/- 5.65   0.219% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  19.29 +/- 2.64   0.198% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.99 +/- 2.20   0.521% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.73 +/- 1.50   0.625% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  20.09 +/- 4.71   0.332% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  25.56 +/- 4.07   0.091% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.32 +/- 1.88   0.168% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.94 +/- 2.89   0.250% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.44 +/- 3.51   0.218% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  19.36 +/- 6.03   0.301% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.33 +/- 4.84   0.042% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  23.39 +/- 3.68   0.118% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.31 +/- 1.93   0.105% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.83 +/- 2.17   0.117% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.06 +/- 3.63   0.104% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 154.9:
    * O T QE    LYS+  33 - QD    LYS+  33   2.11 +/- 0.02  93.835% * 96.5704% (1.00  10.0 10.00   4.34 154.86) =  99.992%  kept
        T QE    LYS+  65 - QD    LYS+  33  17.18 +/- 2.79   0.223% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HD3   LYS+ 111  19.62 +/- 4.04   0.204% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - QD    LYS+  33   9.18 +/- 1.12   1.379% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   7.91 +/- 0.81   2.005% *  0.0329% (0.34   1.0  1.00   0.02   4.66) =   0.001%
        T QE    LYS+  33 - HD3   LYS+ 111  28.24 +/- 3.84   0.054% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  33  18.22 +/- 3.46   0.186% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  13.65 +/- 3.96   1.458% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  23.23 +/- 2.78   0.086% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  22.37 +/- 5.98   0.130% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.40 +/- 4.37   0.120% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.76 +/- 3.20   0.101% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.45 +/- 3.01   0.086% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.47 +/- 3.51   0.039% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.68 +/- 2.57   0.030% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  26.45 +/- 3.30   0.064% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.96, support = 5.11, residual support = 133.4:
    *   T HA    LYS+  33 - QE    LYS+  33   3.90 +/- 0.88  27.122% * 65.4215% (1.00 10.00   5.71 154.86) =  85.642%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.20 +/- 1.64  13.415% * 14.4034% (0.97 10.00   0.46   0.02) =   9.326%  kept
        T HA    GLN   32 - QE    LYS+  33   6.70 +/- 1.36   5.589% * 18.1896% (0.28 10.00   3.58  15.48) =   4.906%  kept
          HA    VAL   18 - QE    LYS+  65  11.45 +/- 4.34   2.665% *  0.5228% (0.49  1.00   0.33   0.02) =   0.067%
          HA    VAL   18 - QE    LYS+  33  11.02 +/- 2.96   4.812% *  0.0619% (0.95  1.00   0.02   0.02) =   0.014%
          HB2   SER   37 - QE    LYS+  33   6.23 +/- 2.52  18.051% *  0.0146% (0.22  1.00   0.02   0.02) =   0.013%
          HA    SER   48 - QE    LYS+  65  13.24 +/- 6.00  10.574% *  0.0177% (0.27  1.00   0.02   0.02) =   0.009%
          HA    VAL   70 - QE    LYS+  33  11.83 +/- 2.27   1.523% *  0.0567% (0.87  1.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - QE    LYS+  65  20.65 +/- 2.45   0.213% *  0.3246% (0.50 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - QE    LYS+  65  21.17 +/- 2.69   0.185% *  0.3363% (0.51 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB2   ASP-  76  19.45 +/- 4.58   0.339% *  0.0942% (0.14 10.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QE    LYS+  65  12.27 +/- 1.36   1.006% *  0.0292% (0.45  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  65  13.97 +/- 1.79   0.818% *  0.0292% (0.45  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  21.95 +/- 4.00   0.348% *  0.0567% (0.87  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASP-  76  22.05 +/- 3.20   0.196% *  0.0976% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  22.15 +/- 6.83   0.322% *  0.0587% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76  10.22 +/- 2.98   3.570% *  0.0051% (0.08  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QE    LYS+  65  21.39 +/- 2.36   0.181% *  0.0935% (0.14 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QE    LYS+  65  14.37 +/- 4.28   2.916% *  0.0052% (0.08  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  11.44 +/- 1.00   1.405% *  0.0088% (0.13  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASP-  76  16.53 +/- 7.55   0.820% *  0.0092% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  21.17 +/- 3.45   0.233% *  0.0271% (0.04 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  24.14 +/- 3.76   0.182% *  0.0344% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  21.86 +/- 3.57   0.204% *  0.0302% (0.46  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  17.15 +/- 1.24   0.391% *  0.0085% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.57 +/- 4.40   0.255% *  0.0104% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  26.28 +/- 4.40   0.129% *  0.0202% (0.31  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  21.00 +/- 2.54   0.254% *  0.0085% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.83 +/- 3.00   0.277% *  0.0075% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.70 +/- 1.40   0.633% *  0.0030% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  14.68 +/- 3.06   1.039% *  0.0015% (0.02  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.04 +/- 2.58   0.137% *  0.0101% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  21.47 +/- 2.00   0.197% *  0.0022% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 154.7:
    *   T QB    LYS+  33 - QE    LYS+  33   2.70 +/- 0.48  62.207% * 97.4485% (1.00 10.00   5.76 154.86) =  99.899%  kept
          HB3   GLN   30 - QE    LYS+  33   6.03 +/- 1.14   8.939% *  0.5363% (0.25  1.00   0.44   0.52) =   0.079%
          HG2   ARG+  54 - QE    LYS+  65  12.72 +/- 3.73   6.698% *  0.0483% (0.50  1.00   0.02   0.02) =   0.005%
        T QB    LYS+  33 - QE    LYS+  65  17.85 +/- 2.73   0.498% *  0.5010% (0.51 10.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - QE    LYS+  65  10.10 +/- 2.32   2.493% *  0.0462% (0.47  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - QE    LYS+  33  10.48 +/- 1.81   1.884% *  0.0401% (0.41  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  33  16.84 +/- 3.39   0.729% *  0.0900% (0.92  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QE    LYS+  33  16.45 +/- 3.13   0.639% *  0.0955% (0.98  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  65  16.90 +/- 4.12   1.115% *  0.0474% (0.49  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HB2   ASP-  76  18.47 +/- 3.30   0.337% *  0.1454% (0.15 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QE    LYS+  33  15.82 +/- 1.91   0.420% *  0.0922% (0.95  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.38 +/- 1.01   2.488% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  33  17.07 +/- 1.93   0.364% *  0.0922% (0.95  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+  65  12.71 +/- 2.27   1.160% *  0.0284% (0.29  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QE    LYS+  65  17.93 +/- 3.78   0.510% *  0.0491% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  20.97 +/- 4.26   0.265% *  0.0940% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  18.00 +/- 3.74   0.424% *  0.0483% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  21.08 +/- 3.81   0.284% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  20.71 +/- 4.96   0.262% *  0.0497% (0.51  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.68 +/- 4.78   0.117% *  0.0940% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  22.81 +/- 4.12   0.189% *  0.0552% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.99 +/- 2.42   0.686% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  16.62 +/- 3.31   0.699% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  27.35 +/- 2.87   0.090% *  0.0966% (0.99  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  15.33 +/- 2.59   0.597% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  15.90 +/- 3.53   0.574% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  16.18 +/- 2.25   0.528% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.36 +/- 2.12   0.378% *  0.0137% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  17.53 +/- 4.63   0.652% *  0.0077% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  20.94 +/- 4.09   0.188% *  0.0243% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  20.68 +/- 2.47   0.193% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  19.22 +/- 2.77   0.254% *  0.0137% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  17.26 +/- 2.86   0.386% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  20.09 +/- 2.73   0.210% *  0.0142% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  19.55 +/- 2.86   0.222% *  0.0134% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  15.39 +/- 4.28   0.748% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.74 +/- 3.22   0.086% *  0.0243% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.96 +/- 2.19   0.110% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.83 +/- 2.33   0.720% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.12 +/- 3.40   0.424% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  24.03 +/- 2.59   0.133% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.09 +/- 3.10   0.101% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (1.38, 2.92, 42.01 ppm):
    45 chemical-shift based assignments, quality = 0.836, support = 4.99, residual support = 156.4:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.70 +/- 0.57  35.709% * 63.8684% (1.00  10.0 10.00   5.31 154.86) =  66.556%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.69 +/- 0.51  35.187% * 32.5421% (0.51  10.0 10.00   4.35 159.52) =  33.416%  kept
        T HG3   LYS+ 102 - QE    LYS+  33  14.49 +/- 2.88   0.438% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 106 - QE    LYS+  33  17.75 +/- 1.85   0.166% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QE    LYS+  65  18.94 +/- 4.37   0.317% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QE    LYS+  33  18.14 +/- 2.17   0.125% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HB2   ASP-  76  14.24 +/- 3.90   0.506% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    LYS+  33  11.70 +/- 3.07   0.918% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  12.53 +/- 1.99   0.620% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  33  11.73 +/- 3.24   0.592% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QE    LYS+  65  18.97 +/- 2.78   0.106% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  65  12.17 +/- 2.88   0.767% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QE    LYS+  65  23.40 +/- 3.56   0.066% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QE    LYS+  33  11.26 +/- 1.42   0.508% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.40 +/- 1.52  11.217% *  0.0015% (0.02   1.0  1.00   0.02   1.31) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  15.62 +/- 2.83   0.469% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  12.35 +/- 2.34   0.435% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  18.29 +/- 2.77   0.169% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65   9.98 +/- 3.31   1.219% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  13.25 +/- 3.74   1.198% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  22.00 +/- 3.24   0.104% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.80 +/- 3.45   0.097% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  19.81 +/- 5.14   0.491% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.17 +/- 1.94   0.791% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  25.42 +/- 4.44   0.118% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  16.19 +/- 3.37   0.297% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  14.31 +/- 2.29   0.286% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  17.02 +/- 3.97   0.188% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.70 +/- 1.42   1.793% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  12.72 +/- 1.79   0.389% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.97 +/- 0.97   1.491% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.44 +/- 1.48   0.302% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  15.13 +/- 2.11   0.478% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  15.98 +/- 3.48   0.304% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.22 +/- 4.03   0.278% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  19.59 +/- 3.52   0.098% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.99 +/- 2.64   0.167% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  20.51 +/- 2.88   0.142% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.33 +/- 2.10   0.076% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  19.70 +/- 6.15   0.121% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  17.27 +/- 3.78   0.208% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.24 +/- 2.11   0.374% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  17.07 +/- 3.32   0.534% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  21.40 +/- 4.36   0.083% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  24.20 +/- 2.27   0.060% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 154.9:
    * O T QD    LYS+  33 - QE    LYS+  33   2.11 +/- 0.02  82.806% * 97.4730% (1.00  10.0 10.00   4.34 154.86) =  99.993%  kept
        T QD    LYS+  33 - QE    LYS+  65  17.18 +/- 2.79   0.195% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+  65   9.72 +/- 3.52   2.904% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  19.62 +/- 4.04   0.180% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  33  18.89 +/- 3.62   0.925% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   ASP-  76   6.62 +/- 2.17   8.147% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65   9.32 +/- 1.52   1.219% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  33  28.24 +/- 3.84   0.048% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HB2   ASP-  76  18.22 +/- 3.46   0.164% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  13.17 +/- 3.81   1.824% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  21.55 +/- 4.42   0.135% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  16.06 +/- 2.47   0.225% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  16.97 +/- 2.68   0.223% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  23.23 +/- 2.78   0.076% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  14.36 +/- 4.28   0.530% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.16 +/- 4.74   0.083% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  16.90 +/- 3.19   0.264% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  26.65 +/- 3.05   0.052% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 24.9:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  71.933% * 97.6340% (0.80  10.0 10.00   1.93  25.07) =  99.405%  kept
          QG2   THR   39 - HA    ALA   34   4.27 +/- 1.48  23.646% *  1.7676% (0.25   1.0  1.00   1.17   4.96) =   0.592%  kept
          HG3   LYS+  38 - HA    ALA   34   7.69 +/- 0.66   1.624% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   34 - HA    ALA  124  17.10 +/- 4.22   0.237% *  0.2241% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ALA   34  13.94 +/- 1.80   0.333% *  0.1079% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   34  19.41 +/- 2.17   0.119% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  20.21 +/- 8.25   0.643% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  24.43 +/- 5.57   0.261% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  16.60 +/- 2.63   0.228% *  0.0181% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.83 +/- 1.59   0.134% *  0.0242% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  16.36 +/- 5.88   0.407% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  24.87 +/- 4.24   0.281% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.59 +/- 1.43   0.062% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  22.48 +/- 2.71   0.090% *  0.0056% (0.05   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 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.1:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  85.543% * 98.8230% (0.80  10.0 10.00   1.93  25.07) =  99.986%  kept
          HA1   GLY  101 - QB    ALA   34   7.77 +/- 2.89   6.569% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          HA    ASN   28 - QB    ALA   34   6.95 +/- 0.48   2.617% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ALA  124 - QB    ALA   34  17.10 +/- 4.22   0.280% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   34   6.66 +/- 0.08   2.801% *  0.0170% (0.14   1.0  1.00   0.02   0.30) =   0.001%
          HA    THR   26 - QB    ALA   34   9.24 +/- 1.29   1.426% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  15.92 +/- 2.19   0.308% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  20.34 +/- 3.34   0.145% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  18.78 +/- 2.45   0.169% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  19.25 +/- 3.10   0.142% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 54.7:
    * O T HB2   ASN   35 - HA    ASN   35   2.64 +/- 0.12  73.895% * 98.4270% (1.00  10.0 10.00   4.03  54.72) =  99.978%  kept
        T HB2   ASN   35 - HA    LEU   40  10.02 +/- 1.32   1.930% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   ASN   28 - HA    ASN   35  13.25 +/- 1.09   0.676% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   ASN   35 - HA    GLU-  15  15.86 +/- 4.45   0.773% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HA    ASN   35   7.73 +/- 1.17   3.832% *  0.0336% (0.34   1.0  1.00   0.02   4.66) =   0.002%
        T HB2   ASN   28 - HA    GLU-  15  16.49 +/- 3.47   0.832% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LEU   40  15.65 +/- 1.46   0.403% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    GLU-  15  10.04 +/- 3.80   8.770% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    LEU   40  10.11 +/- 1.65   1.741% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.73 +/- 2.08   2.714% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  24.82 +/- 6.66   0.163% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  20.87 +/- 2.27   0.176% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.32 +/- 2.66   0.442% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  15.36 +/- 4.14   0.877% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.22 +/- 3.88   0.286% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  16.59 +/- 2.84   0.493% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.50 +/- 3.18   0.688% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  21.62 +/- 4.84   0.200% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  22.35 +/- 4.61   0.746% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  19.32 +/- 3.57   0.291% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  29.22 +/- 5.76   0.072% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 86.3:
    * O T QB    GLU-  36 - HA    GLU-  36   2.43 +/- 0.17  96.043% * 98.9106% (1.00  10.0 10.00   5.56  86.32) =  99.991%  kept
        T HB3   GLU-  29 - HA    GLU-  36  11.72 +/- 1.07   0.933% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HG3   GLU- 100 - HA    GLU-  36  10.06 +/- 2.47   2.352% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.91 +/- 1.05   0.542% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.89 +/- 3.11   0.094% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  34.73 +/- 2.66   0.036% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.79 +/- 0.83  99.005% * 99.8378% (1.00  10.0 10.00   3.62  86.32) =  99.999%  kept
          HG3   MET   96 - HA    GLU-  36  19.46 +/- 1.58   0.522% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  25.41 +/- 2.43   0.243% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  28.26 +/- 6.40   0.230% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.19 +/- 0.52  97.688% * 99.2256% (1.00  10.0 10.00   3.62  86.32) =  99.995%  kept
        T QB    MET   11 - HA    GLU-  36  18.30 +/- 4.83   1.113% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QG    GLU- 114 - HA    GLU-  36  25.63 +/- 2.69   0.253% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.45 +/- 2.97   0.234% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.61 +/- 1.60   0.490% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  31.88 +/- 1.78   0.116% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  33.29 +/- 2.53   0.107% *  0.0642% (0.65   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 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.79 +/- 0.83  98.954% * 99.7630% (1.00  10.0 10.00   3.62  86.32) =  99.999%  kept
          HA    ALA  124 - HG2   GLU-  36  25.08 +/- 6.16   0.377% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  29.92 +/- 3.82   0.148% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  32.21 +/- 4.39   0.165% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  23.62 +/- 2.73   0.356% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.3:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.42 +/- 0.15  96.225% * 98.9106% (1.00  10.0 10.00   4.28  86.32) =  99.988%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.78 +/- 1.51   1.243% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.011%
          HG3   GLU-  29 - HG2   GLU-  36  12.93 +/- 1.59   0.701% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.51 +/- 2.79   1.706% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  25.94 +/- 3.31   0.090% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  35.03 +/- 2.90   0.035% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.3:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.642% * 99.2256% (1.00  10.0 10.00   3.00  86.32) =  99.999%  kept
        T QB    MET   11 - HG2   GLU-  36  17.41 +/- 4.30   0.165% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HG2   GLU-  36  18.78 +/- 1.84   0.089% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  25.52 +/- 3.20   0.037% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  26.39 +/- 2.98   0.036% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.36 +/- 2.10   0.017% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.82 +/- 2.60   0.015% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.19 +/- 0.52  95.373% * 99.6097% (1.00  10.0 10.00   3.62  86.32) =  99.998%  kept
        T HA    GLU-  36 - QB    MET   11  18.30 +/- 4.83   1.087% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   GLU-  36  25.14 +/- 6.55   0.428% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  29.59 +/- 3.61   0.156% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  28.29 +/- 5.90   1.607% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.97 +/- 4.68   0.166% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  23.37 +/- 2.76   0.369% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  29.92 +/- 4.87   0.147% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  29.73 +/- 5.04   0.217% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  21.76 +/- 4.26   0.450% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.3:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.33 +/- 0.15  91.687% * 99.4418% (1.00  10.0  1.00   4.28  86.32) =  99.997%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.46 +/- 1.68   1.305% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  12.62 +/- 1.69   0.689% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  11.76 +/- 3.01   1.910% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  25.24 +/- 5.85   0.148% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  16.64 +/- 4.95   2.250% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  15.94 +/- 4.48   1.196% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  25.59 +/- 3.04   0.082% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  15.23 +/- 4.13   0.544% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  34.86 +/- 3.29   0.032% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  34.73 +/- 2.73   0.031% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.36 +/- 4.26   0.125% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.3:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.601% * 99.6937% (1.00  10.0 10.00   3.00  86.32) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  17.41 +/- 4.30   0.165% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.13 +/- 1.89   0.072% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  25.81 +/- 2.95   0.036% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  28.37 +/- 6.09   0.035% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  26.88 +/- 2.97   0.031% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  25.33 +/- 3.10   0.038% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  32.11 +/- 4.77   0.022% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 337 (2.31, 2.31, 36.40 ppm):
    2 diagonal assignments:
    *     HG3   GLU-  36 - HG3   GLU-  36  (1.00)  kept
          QB    MET   11 - QB    MET   11  (0.05)  kept
 
    Peak 338 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    SER   37 - HA    SER   37  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.30)  kept
 
    Peak 339 (4.03, 4.42, 58.68 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 29.7:
    * O T HB2   SER   37 - HA    SER   37   2.92 +/- 0.19  80.945% * 98.0025% (1.00  10.0 10.00   2.58  29.75) =  99.981%  kept
        T HB2   SER   37 - HA    SER   13  15.66 +/- 4.99   1.197% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.008%
          HA1   GLY   16 - HA    SER   37  14.87 +/- 6.26   3.044% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  33 - HA    SER   37   7.12 +/- 0.87   6.667% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   37 - HA    THR   46  24.08 +/- 1.31   0.149% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HA    SER   37  11.97 +/- 2.99   2.052% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HA    SER   13  10.38 +/- 0.85   2.044% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  14.95 +/- 1.85   0.826% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  17.66 +/- 1.39   0.408% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  23.38 +/- 4.99   0.224% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.85 +/- 5.10   1.499% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  17.06 +/- 4.09   0.543% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  25.14 +/- 2.62   0.141% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  28.22 +/- 5.21   0.131% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  25.45 +/- 1.56   0.130% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.666, support = 2.35, residual support = 21.5:
    * O T HB3   SER   37 - HA    SER   37   2.67 +/- 0.22  40.233% * 66.5993% (0.84  10.0 10.00   2.58  29.75) =  65.092%  kept
      O T QB    SER   13 - HA    SER   13   2.43 +/- 0.14  51.516% * 27.5623% (0.35  10.0 10.00   1.93   6.15) =  34.493%  kept
          HB    THR   39 - HA    SER   37   5.79 +/- 0.91   5.025% *  3.2744% (0.69   1.0  1.00   1.20   4.51) =   0.400%  kept
        T QB    SER   13 - HA    SER   37  14.83 +/- 4.56   0.547% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   SER   37 - HA    SER   13  15.21 +/- 5.22   0.549% *  0.3559% (0.45   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   89 - HA    THR   46  10.76 +/- 1.99   0.909% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.98 +/- 1.49   0.049% *  0.6599% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  24.58 +/- 2.89   0.060% *  0.5111% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  14.86 +/- 1.43   0.246% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  16.34 +/- 4.68   0.292% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  22.80 +/- 3.18   0.078% *  0.0796% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.57 +/- 1.46   0.219% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.87 +/- 1.16   0.073% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.03 +/- 5.26   0.078% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  31.19 +/- 3.38   0.027% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  28.08 +/- 5.04   0.043% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  34.20 +/- 3.52   0.021% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  30.63 +/- 5.95   0.037% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 2.57, residual support = 29.7:
    * O T HA    SER   37 - HB2   SER   37   2.92 +/- 0.19  84.376% * 96.9212% (1.00  10.0 10.00   2.58  29.75) =  99.882%  kept
          HA    LEU   40 - HB2   SER   37   7.31 +/- 0.81   6.370% *  1.3078% (0.38   1.0  1.00   0.72   0.52) =   0.102%  kept
        T HA    SER   13 - HB2   SER   37  15.66 +/- 4.99   1.246% *  0.5487% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HA    GLU-  15 - HB2   SER   37  12.04 +/- 5.64   5.146% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   46 - HB2   SER   37  24.08 +/- 1.31   0.156% *  0.9606% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB2   SER   37  15.42 +/- 5.37   1.301% *  0.0969% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB2   SER   37  12.64 +/- 1.06   1.132% *  0.0588% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  22.88 +/- 3.31   0.272% *  0.0510% (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 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  76.371% * 93.3960% (0.84  10.0 10.00   2.00  29.75) =  98.200%  kept
          HB    THR   39 - HB2   SER   37   3.38 +/- 1.01  23.145% *  5.6376% (0.69   1.0  1.00   1.47   4.51) =   1.796%  kept
        T QB    SER   13 - HB2   SER   37  14.11 +/- 4.12   0.375% *  0.7233% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HB    THR  118 - HB2   SER   37  20.68 +/- 3.10   0.058% *  0.1116% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  28.69 +/- 3.30   0.019% *  0.0934% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  25.90 +/- 4.91   0.031% *  0.0381% (0.34   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 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.666, support = 2.35, residual support = 21.3:
    * O T HA    SER   37 - HB3   SER   37   2.67 +/- 0.22  38.237% * 68.0513% (0.84  10.0 10.00   2.58  29.75) =  64.311%  kept
      O T HA    SER   13 - QB    SER   13   2.43 +/- 0.14  48.946% * 29.4827% (0.36  10.0 10.00   1.93   6.15) =  35.666%  kept
        T HA    SER   37 - QB    SER   13  14.83 +/- 4.56   0.517% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.007%
        T HA    SER   13 - HB3   SER   37  15.21 +/- 5.22   0.517% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - HB3   SER   37  12.00 +/- 5.53   2.971% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  15 - QB    SER   13   6.66 +/- 1.14   3.423% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QB    SER   13   9.52 +/- 1.91   1.896% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   8.26 +/- 1.36   2.124% *  0.0255% (0.31   1.0  1.00   0.02   0.52) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.98 +/- 1.49   0.047% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  24.58 +/- 2.89   0.057% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   SER   37  15.72 +/- 4.98   0.378% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.60 +/- 1.50   0.335% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.17 +/- 2.95   0.198% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  19.10 +/- 2.36   0.122% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.56 +/- 3.62   0.106% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.24 +/- 4.99   0.126% *  0.0274% (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 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  91.709% * 98.1382% (0.84  10.0 10.00   2.00  29.75) =  99.985%  kept
        T HA    VAL   70 - HB3   SER   37  10.54 +/- 3.12   1.571% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   SER   37 - QB    SER   13  14.11 +/- 4.12   0.447% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.004%
          HA    LYS+  33 - HB3   SER   37   6.44 +/- 1.30   3.970% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - QB    SER   13  15.34 +/- 3.47   0.195% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   9.32 +/- 1.26   0.820% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB3   SER   37  13.75 +/- 5.96   0.600% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    SER   13  14.19 +/- 4.60   0.580% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  25.09 +/- 5.31   0.061% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  23.80 +/- 2.91   0.045% *  0.0478% (0.41   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 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 221.0:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.82 +/- 0.18  83.115% * 99.6880% (1.00  10.0 10.00   6.90 221.00) =  99.991%  kept
        T HB2   LYS+  38 - HA    GLU- 100   7.80 +/- 2.76   9.775% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.007%
          HG3   GLU-  29 - HA    LYS+  38  15.48 +/- 0.92   0.525% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  13.49 +/- 1.16   0.816% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.60 +/- 2.14   1.216% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.29 +/- 3.43   0.579% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.42 +/- 1.54   0.276% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  31.43 +/- 2.20   0.063% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  16.56 +/- 3.50   0.725% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  14.87 +/- 3.48   1.123% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  14.61 +/- 3.85   0.969% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.16 +/- 3.33   0.348% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.77 +/- 3.82   0.388% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  29.40 +/- 3.08   0.082% *  0.0032% (0.03   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 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 221.0:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.64 +/- 0.19  70.796% * 98.2125% (1.00  10.0 10.00   5.89 221.00) =  99.978%  kept
        T HB3   LYS+  38 - HA    GLU- 100   7.24 +/- 2.99  14.575% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   PRO   68 - HA    LYS+  38  16.34 +/- 3.35   0.868% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - HA    LYS+  38  11.19 +/- 1.59   1.253% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HA    LYS+  38  24.41 +/- 3.80   0.168% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    LYS+  38   8.23 +/- 0.45   2.501% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - HA    LYS+  38  29.25 +/- 4.71   0.086% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.62 +/- 1.93   0.391% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.41 +/- 2.04   0.632% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  14.81 +/- 1.92   0.485% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.32 +/- 3.27   2.117% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  24.72 +/- 3.00   0.117% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  25.20 +/- 4.54   0.176% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.68 +/- 1.29   0.066% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.08 +/- 2.59   2.117% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  25.32 +/- 2.46   0.088% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  31.32 +/- 2.00   0.044% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.55 +/- 0.68   1.242% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.10 +/- 0.82   0.509% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  12.95 +/- 1.05   0.624% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  19.15 +/- 4.36   0.691% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  24.52 +/- 2.69   0.110% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.89 +/- 3.92   0.137% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.79 +/- 1.38   0.081% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  29.31 +/- 2.81   0.057% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  29.51 +/- 3.81   0.069% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.981, support = 6.89, residual support = 217.3:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.72 +/- 0.63  49.675% * 93.0706% (1.00  10.0 10.00   6.91 221.00) =  98.019%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.35 +/- 0.53  15.996% *  5.5125% (0.06   1.0 10.00   5.87  38.83) =   1.869%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.77 +/- 1.56   4.928% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.095%
        T HG2   LYS+  38 - HA    GLU- 100   7.31 +/- 2.80   9.884% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.012%
          HB2   LEU   31 - HA    LYS+  38  10.20 +/- 1.24   1.156% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+  38  10.65 +/- 2.38   1.966% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    GLU- 100  10.40 +/- 4.32   5.852% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LYS+  38  17.21 +/- 6.14   0.932% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.07 +/- 2.35   0.240% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  25.33 +/- 3.77   0.105% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.69 +/- 1.28   0.192% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  23.80 +/- 4.38   0.137% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.91 +/- 0.87   0.195% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   7.39 +/- 1.63   6.666% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  28.44 +/- 2.81   0.066% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  22.07 +/- 5.48   0.665% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  23.12 +/- 4.45   0.180% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  18.51 +/- 1.71   0.271% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.44 +/- 2.95   0.227% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  18.33 +/- 6.11   0.362% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.47 +/- 1.76   0.235% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  27.04 +/- 2.22   0.071% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.12 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.986, support = 6.68, residual support = 205.9:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.14 +/- 0.64  30.511% * 78.6091% (1.00  10.0 10.00   6.89 221.00) =  92.234%  kept
          QG2   THR   39 - HA    LYS+  38   4.94 +/- 0.51   9.621% * 16.8362% (0.90   1.0  1.00   4.78  30.37) =   6.229%  kept
          QB    ALA   34 - HA    LYS+  38   4.52 +/- 0.62  11.895% *  2.1291% (0.80   1.0  1.00   0.68   0.02) =   0.974%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.33 +/- 0.75   7.089% *  1.7827% (0.02   1.0 10.00   4.96  38.83) =   0.486%  kept
        T HG3   LYS+  99 - HA    LYS+  38   7.31 +/- 1.56   4.391% *  0.2950% (0.38   1.0 10.00   0.02   0.02) =   0.050%
        T HG3   LYS+  38 - HA    GLU- 100   7.31 +/- 2.90  11.286% *  0.0475% (0.06   1.0 10.00   0.02   0.02) =   0.021%
          QB    ALA   34 - HA    GLU- 100   5.92 +/- 2.78  13.662% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    GLU- 100   7.31 +/- 2.38   7.438% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  38  10.07 +/- 2.05   1.225% *  0.0243% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HA    LYS+  38  14.29 +/- 3.51   0.501% *  0.0445% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    LYS+  38  17.51 +/- 1.96   0.272% *  0.0352% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  20.60 +/- 2.23   0.128% *  0.0744% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  24.37 +/- 1.14   0.075% *  0.0705% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  18.94 +/- 2.06   0.197% *  0.0268% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  12.73 +/- 3.66   0.716% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.62 +/- 4.06   0.387% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.37 +/- 1.93   0.130% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.14 +/- 2.95   0.217% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.96 +/- 1.88   0.101% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.65 +/- 2.28   0.158% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 220.9:
    *   T QD    LYS+  38 - HA    LYS+  38   3.69 +/- 0.60  58.777% * 97.0123% (1.00 10.00   6.00 221.00) =  99.949%  kept
        T QD    LYS+  38 - HA    GLU- 100   7.20 +/- 2.72  22.416% *  0.0586% (0.06 10.00   0.02   0.02) =   0.023%
        T QD    LYS+  65 - HA    LYS+  38  19.07 +/- 2.21   0.532% *  0.8955% (0.92 10.00   0.02   0.02) =   0.008%
        T HB    VAL   83 - HA    LYS+  38  23.46 +/- 4.27   0.332% *  0.9362% (0.97 10.00   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HA    LYS+  38  11.95 +/- 2.89   3.140% *  0.0777% (0.80  1.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - HA    LYS+  38  19.36 +/- 2.23   0.623% *  0.3309% (0.34 10.00   0.02   0.02) =   0.004%
        T HB    VAL   83 - HA    GLU- 100  21.39 +/- 5.34   1.442% *  0.0566% (0.06 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  38  18.17 +/- 4.35   0.759% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  28.93 +/- 2.22   0.154% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+  38  20.60 +/- 4.86   0.835% *  0.0549% (0.57  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.38 +/- 1.01   7.503% *  0.0047% (0.05  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    GLU- 100  20.71 +/- 3.22   0.470% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.93 +/- 2.51   0.583% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.79 +/- 1.68   0.183% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  17.77 +/- 5.97   0.971% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.99 +/- 1.08   0.173% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.58 +/- 1.77   0.166% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  21.24 +/- 5.40   0.519% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.70 +/- 1.02   0.203% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.18 +/- 0.99   0.219% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.15 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 220.9:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.82 +/- 0.18  88.995% * 99.6785% (1.00  10.0 10.00   6.90 221.00) =  99.974%  kept
        T HA    GLU- 100 - HB2   LYS+  38   7.80 +/- 2.76  10.466% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.026%
          HA    VAL   24 - HB2   LYS+  38  20.01 +/- 1.54   0.277% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  26.90 +/- 4.81   0.129% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  27.06 +/- 3.21   0.133% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 221.0:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  98.187% * 98.9214% (1.00  10.0 10.00   5.74 221.00) =  99.999%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.29 +/- 0.62   0.691% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.35 +/- 1.45   0.261% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  17.05 +/- 3.56   0.331% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  33.59 +/- 2.09   0.014% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.53 +/- 1.97   0.105% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  16.75 +/- 1.90   0.128% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  16.60 +/- 1.80   0.135% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  26.68 +/- 2.90   0.032% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  26.01 +/- 3.69   0.042% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  29.94 +/- 1.32   0.020% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.26 +/- 2.34   0.028% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  31.14 +/- 4.77   0.025% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 220.9:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.63 +/- 0.11  90.571% * 98.5858% (1.00  10.0 10.00   6.75 221.00) =  99.953%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   8.31 +/- 1.55   4.130% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.045%
          HB2   LEU   31 - HB2   LYS+  38  12.58 +/- 1.08   0.938% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  38  17.67 +/- 6.83   2.187% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB2   LYS+  38  12.88 +/- 2.24   1.266% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.75 +/- 2.47   0.266% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  27.22 +/- 3.67   0.101% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.54 +/- 1.31   0.174% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  25.92 +/- 4.16   0.119% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.99 +/- 1.01   0.184% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  30.43 +/- 2.95   0.063% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 6.22, residual support = 212.9:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.79 +/- 0.35  72.326% * 80.4775% (1.00  10.0 10.00   6.31 221.00) =  95.794%  kept
          QG2   THR   39 - HB2   LYS+  38   5.51 +/- 1.00  14.601% * 16.3033% (0.90   1.0  1.00   4.52  30.37) =   3.918%  kept
          QB    ALA   34 - HB2   LYS+  38   6.56 +/- 0.38   6.261% *  2.6349% (0.80   1.0  1.00   0.82   0.02) =   0.272%  kept
        T HG3   LYS+  99 - HB2   LYS+  38   8.87 +/- 1.63   2.928% *  0.3020% (0.38   1.0 10.00   0.02   0.02) =   0.015%
          HG    LEU   71 - HB2   LYS+  38  11.18 +/- 2.45   2.365% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  15.65 +/- 4.04   0.702% *  0.0456% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  38  22.28 +/- 2.21   0.175% *  0.0761% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  19.11 +/- 1.95   0.300% *  0.0361% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  26.23 +/- 1.22   0.099% *  0.0722% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  20.77 +/- 2.20   0.243% *  0.0275% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 220.9:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.64 +/- 0.19  82.572% * 99.5407% (1.00  10.0 10.00   5.89 221.00) =  99.954%  kept
        T HA    GLU- 100 - HB3   LYS+  38   7.24 +/- 2.99  16.976% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.046%
        T HD2   PRO   58 - HB3   LYS+  38  26.12 +/- 3.16   0.118% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HB3   LYS+  38  20.02 +/- 1.77   0.230% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  26.23 +/- 4.65   0.104% *  0.0197% (0.20   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 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 221.0:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.252% * 99.2933% (1.00  10.0 10.00   5.74 221.00) = 100.000%  kept
        T HB2   GLN   90 - HB3   LYS+  38  32.87 +/- 2.33   0.016% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  17.85 +/- 1.02   0.097% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  13.21 +/- 2.38   0.291% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  15.85 +/- 1.19   0.143% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  17.19 +/- 3.81   0.145% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  21.77 +/- 1.67   0.056% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 220.7:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.03 +/- 0.04  79.192% * 98.5858% (1.00  10.0 10.00   5.64 221.00) =  99.869%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   7.26 +/- 1.89  10.299% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.127%  kept
          QB    ALA  124 - HB3   LYS+  38  16.90 +/- 7.00   5.450% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB3   LYS+  38  12.67 +/- 1.21   1.237% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LYS+  38  12.01 +/- 2.22   2.449% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.83 +/- 2.63   0.434% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  26.50 +/- 3.64   0.140% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  20.87 +/- 1.42   0.255% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.15 +/- 1.08   0.279% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  25.36 +/- 4.05   0.165% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.18 +/- 3.12   0.100% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.46, residual support = 215.6:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.54 +/- 0.16  74.725% * 82.8843% (1.00  10.0 10.00   5.51 221.00) =  97.165%  kept
          QG2   THR   39 - HB3   LYS+  38   5.44 +/- 0.97  11.949% * 14.4437% (0.90   1.0  1.00   3.89  30.37) =   2.708%  kept
          QB    ALA   34 - HB3   LYS+  38   6.55 +/- 0.50   4.695% *  1.3646% (0.80   1.0  1.00   0.41   0.02) =   0.101%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   7.79 +/- 1.79   4.904% *  0.3111% (0.38   1.0 10.00   0.02   0.02) =   0.024%
        T QG2   ILE   56 - HB3   LYS+  38  21.41 +/- 2.23   0.143% *  0.7841% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB3   LYS+  38  10.76 +/- 2.69   2.609% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB3   LYS+  38  15.84 +/- 3.93   0.511% *  0.0469% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  19.33 +/- 2.07   0.203% *  0.0372% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.53 +/- 1.41   0.078% *  0.0743% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  20.18 +/- 2.47   0.184% *  0.0283% (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 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 221.0:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.47 +/- 0.32  95.628% * 98.0597% (1.00  10.0 10.00   4.63 221.00) =  99.994%  kept
          QD    LYS+ 102 - HB3   LYS+  38  12.98 +/- 2.74   2.772% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB3   LYS+  38  19.69 +/- 2.36   0.232% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HB3   LYS+  38  20.65 +/- 2.48   0.210% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LYS+  38  18.64 +/- 4.65   0.330% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  20.66 +/- 5.68   0.469% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  29.62 +/- 2.59   0.075% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  25.02 +/- 3.95   0.124% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  27.92 +/- 1.81   0.083% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.23 +/- 1.24   0.077% *  0.0218% (0.22   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 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.981, support = 6.89, residual support = 217.3:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.72 +/- 0.63  60.838% * 93.7297% (1.00  10.0 10.00   6.91 221.00) =  97.979%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.35 +/- 0.53  19.964% *  5.6871% (0.06   1.0 10.00   5.87  38.83) =   1.951%  kept
        T HA    GLU- 100 - HG2   LYS+  38   7.31 +/- 2.80  12.001% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.043%
        T HA    LYS+  38 - HG2   LYS+  99   6.77 +/- 1.56   6.026% *  0.2554% (0.27   1.0 10.00   0.02   0.02) =   0.026%
          HA    VAL   24 - HG2   LYS+  38  19.46 +/- 1.95   0.213% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  18.89 +/- 3.29   0.293% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  26.62 +/- 5.07   0.117% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  23.06 +/- 5.33   0.299% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  26.82 +/- 3.71   0.091% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  23.19 +/- 4.02   0.157% *  0.0039% (0.04   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 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.75, residual support = 221.0:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.63 +/- 0.11  90.492% * 99.4277% (1.00  10.0 10.00   6.75 221.00) =  99.986%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   8.31 +/- 1.55   4.126% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.012%
          HG3   GLU-  29 - HG2   LYS+  38  16.54 +/- 1.10   0.381% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  14.52 +/- 1.03   0.572% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  14.20 +/- 2.67   0.740% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  17.10 +/- 3.48   0.493% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  18.35 +/- 3.03   0.433% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  20.69 +/- 1.62   0.204% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  12.89 +/- 3.30   1.157% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  16.67 +/- 3.05   0.662% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  18.27 +/- 3.01   0.379% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  33.45 +/- 2.21   0.047% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  21.66 +/- 3.21   0.243% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  29.21 +/- 2.39   0.072% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 220.9:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.03 +/- 0.04  66.234% * 98.9095% (1.00  10.0 10.00   5.64 221.00) =  99.955%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   7.26 +/- 1.89   8.635% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.036%
          HB3   GLN   30 - HG2   LYS+  99  13.11 +/- 3.39   7.273% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HG2   LYS+  38   9.07 +/- 0.65   2.620% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  38  12.93 +/- 1.48   0.986% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG2   LYS+  99  11.48 +/- 2.59   2.492% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.23 +/- 2.17   0.380% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.74 +/- 1.29   1.097% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.25 +/- 1.21   2.043% *  0.0083% (0.08   1.0  1.00   0.02   0.57) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  17.06 +/- 4.35   2.668% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  17.36 +/- 4.04   0.726% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  16.42 +/- 2.13   0.497% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  16.16 +/- 2.29   0.613% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.38 +/- 0.99   1.946% *  0.0067% (0.07   1.0  1.00   0.02   0.12) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  26.40 +/- 3.22   0.121% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  25.83 +/- 4.26   0.166% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  22.48 +/- 4.95   0.479% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.67 +/- 1.24   0.071% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.06 +/- 2.98   0.220% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  26.99 +/- 2.50   0.101% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.82 +/- 1.04   0.123% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.64 +/- 3.24   0.165% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  30.94 +/- 5.00   0.091% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  33.35 +/- 2.00   0.051% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  29.08 +/- 2.08   0.080% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  27.54 +/- 4.20   0.122% *  0.0075% (0.08   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 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 = 6.53, residual support = 214.8:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  41.843% * 76.3235% (1.00  10.0 10.00   6.55 221.00) =  89.830%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  41.843% *  7.8067% (0.10  10.0 10.00   6.53 173.61) =   9.188%  kept
          QG2   THR   39 - HG2   LYS+  38   6.03 +/- 0.98   2.338% * 14.6402% (0.90   1.0  1.00   4.28  30.37) =   0.963%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   7.57 +/- 1.91   1.200% *  0.2080% (0.27   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  99 - HG2   LYS+  38   8.44 +/- 1.63   0.554% *  0.2865% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   39 - HG2   LYS+  99   7.21 +/- 2.06   6.256% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HG2   LYS+  99   6.67 +/- 2.10   4.076% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HG2   LYS+  38   6.29 +/- 0.74   1.044% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG2   LYS+  38  20.74 +/- 2.14   0.029% *  0.2603% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.45 +/- 2.62   0.227% *  0.0236% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  15.62 +/- 3.44   0.088% *  0.0432% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.18 +/- 1.83   0.036% *  0.0710% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.04 +/- 2.41   0.025% *  0.0722% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  18.71 +/- 1.89   0.039% *  0.0342% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  12.32 +/- 3.01   0.179% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  26.05 +/- 1.13   0.013% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.40 +/- 2.88   0.074% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.47 +/- 2.16   0.042% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  18.95 +/- 3.31   0.074% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.50 +/- 1.56   0.021% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 220.8:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.37 +/- 0.15  80.093% * 96.4250% (1.00  10.0 10.00   5.75 221.00) =  99.913%  kept
        T QD    LYS+ 102 - HG2   LYS+  38  13.08 +/- 3.08   4.060% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.041%
        T QD    LYS+  38 - HG2   LYS+  99   7.22 +/- 2.04   9.036% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.031%
        T QD    LYS+ 102 - HG2   LYS+  99   9.12 +/- 1.69   4.032% *  0.2104% (0.22   1.0 10.00   0.02   1.48) =   0.011%
        T QD    LYS+  65 - HG2   LYS+  38  20.35 +/- 2.77   0.168% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  99  19.32 +/- 3.21   0.219% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  38  21.16 +/- 2.21   0.130% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG2   LYS+  38  19.59 +/- 4.71   0.202% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  14.44 +/- 6.09   0.721% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.54 +/- 2.14   0.174% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  30.65 +/- 2.22   0.040% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  21.64 +/- 5.39   0.207% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  25.39 +/- 4.33   0.083% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.04 +/- 1.53   0.073% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  17.66 +/- 5.72   0.326% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  22.14 +/- 4.71   0.186% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  28.72 +/- 1.63   0.047% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.09 +/- 1.23   0.080% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  28.96 +/- 1.15   0.045% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.05 +/- 0.80   0.079% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 6.87, residual support = 219.8:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.14 +/- 0.64  56.911% * 97.3136% (1.00  10.0 10.00   6.89 221.00) =  99.340%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.33 +/- 0.75  14.085% *  2.2608% (0.02   1.0 10.00   4.96  38.83) =   0.571%  kept
        T HA    GLU- 100 - HG3   LYS+  38   7.31 +/- 2.90  18.880% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.073%
        T HA    LYS+  38 - HG3   LYS+  99   7.31 +/- 1.56   8.468% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.015%
          HA    VAL   24 - HG3   LYS+  38  20.15 +/- 2.13   0.296% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  18.95 +/- 3.61   0.487% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  26.68 +/- 4.70   0.156% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  26.71 +/- 3.57   0.125% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  23.11 +/- 5.32   0.329% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  22.67 +/- 4.24   0.263% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.06 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 221.0:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.79 +/- 0.35  88.962% * 99.6340% (1.00  10.0 10.00   6.31 221.00) =  99.995%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.87 +/- 1.63   3.619% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HG3   LYS+  38  17.60 +/- 1.18   0.423% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.11 +/- 2.72   1.043% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  15.64 +/- 1.17   0.598% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  17.64 +/- 3.30   0.499% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.60 +/- 1.74   0.227% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  18.61 +/- 3.31   0.725% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  17.03 +/- 3.41   1.178% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  12.71 +/- 3.33   1.699% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  33.43 +/- 2.31   0.063% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  21.82 +/- 3.56   0.414% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  18.43 +/- 3.15   0.455% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  29.05 +/- 2.33   0.096% *  0.0055% (0.05   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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 221.0:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.54 +/- 0.16  74.880% * 98.2474% (1.00  10.0 10.00   5.51 221.00) =  99.988%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   7.79 +/- 1.79   4.959% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.007%
          HB3   GLN   30 - HG3   LYS+  99  13.33 +/- 3.97   8.477% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - HG3   LYS+  38  26.21 +/- 3.00   0.080% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  13.77 +/- 1.62   0.537% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38  10.15 +/- 0.58   1.227% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - HG3   LYS+  99  21.51 +/- 3.28   0.167% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  17.96 +/- 2.45   0.276% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  17.09 +/- 3.99   0.514% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  16.04 +/- 2.48   0.366% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.99 +/- 2.45   0.384% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  11.94 +/- 2.82   1.887% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  25.71 +/- 4.14   0.103% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99   9.85 +/- 1.31   1.853% *  0.0032% (0.03   1.0  1.00   0.02   0.57) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.50 +/- 1.28   0.791% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.55 +/- 1.57   0.048% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  27.17 +/- 2.45   0.067% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  16.83 +/- 4.33   1.437% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.48 +/- 0.88   1.208% *  0.0026% (0.03   1.0  1.00   0.02   0.12) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  21.97 +/- 5.17   0.301% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  30.86 +/- 5.04   0.063% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  33.33 +/- 2.15   0.035% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.54 +/- 1.10   0.087% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.67 +/- 3.34   0.108% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  28.92 +/- 2.06   0.056% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  27.11 +/- 4.44   0.088% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.916, support = 6.55, residual support = 216.5:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  47.324% * 89.3736% (1.00  10.0 10.00   6.55 221.00) =  90.696%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  47.324% *  9.1415% (0.10  10.0 10.00   6.53 173.61) =   9.277%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.57 +/- 1.91   1.347% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.025%
        T HG2   LYS+  38 - HG3   LYS+  99   8.44 +/- 1.63   0.623% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   LYS+  38  17.27 +/- 7.10   0.901% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.58 +/- 1.95   0.191% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  12.16 +/- 3.30   0.657% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.45 +/- 2.36   0.299% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.50 +/- 2.96   0.050% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.93 +/- 2.13   0.020% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.91 +/- 3.58   0.016% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.40 +/- 1.50   0.027% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.67 +/- 1.13   0.719% *  0.0014% (0.02   1.0  1.00   0.02  18.22) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.86 +/- 4.18   0.018% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.89 +/- 1.41   0.030% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.76 +/- 3.33   0.011% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.07 +/- 6.22   0.189% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.84 +/- 2.99   0.077% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.04 +/- 3.97   0.029% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.98 +/- 5.10   0.041% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.09 +/- 1.87   0.049% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.04 +/- 1.62   0.057% *  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 = 5.56, residual support = 220.9:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.35 +/- 0.15  78.563% * 97.6899% (1.00  10.0 10.00   5.56 221.00) =  99.975%  kept
        T QD    LYS+ 102 - HG3   LYS+  99   9.40 +/- 1.84  10.819% *  0.0816% (0.08   1.0 10.00   0.02   1.48) =   0.012%
        T QD    LYS+  38 - HG3   LYS+  99   7.66 +/- 1.80   5.500% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.007%
          QD    LYS+ 102 - HG3   LYS+  38  13.00 +/- 3.03   1.979% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG3   LYS+  38  20.37 +/- 2.74   0.147% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG3   LYS+  38  21.38 +/- 2.61   0.135% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG3   LYS+  38  19.24 +/- 4.69   0.233% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.13 +/- 3.36   0.212% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  21.21 +/- 5.71   0.339% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  30.24 +/- 2.69   0.042% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  25.50 +/- 4.02   0.082% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.51 +/- 2.92   0.220% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  13.95 +/- 6.09   0.804% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  28.59 +/- 1.97   0.048% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.41 +/- 1.59   0.074% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  17.09 +/- 5.69   0.378% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  22.18 +/- 4.77   0.218% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  28.82 +/- 1.53   0.045% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.72 +/- 1.42   0.081% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  23.74 +/- 0.94   0.080% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 220.8:
    *   T HA    LYS+  38 - QD    LYS+  38   3.69 +/- 0.60  58.448% * 98.6212% (1.00 10.00   6.00 221.00) =  99.903%  kept
        T HA    GLU- 100 - QD    LYS+  38   7.20 +/- 2.72  22.228% *  0.2196% (0.22 10.00   0.02   0.02) =   0.085%
        T HA    LYS+  38 - HD2   LYS+  74  19.36 +/- 2.23   0.617% *  0.2163% (0.22 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - QD    LYS+  65  19.07 +/- 2.21   0.530% *  0.1802% (0.18 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - QD    LYS+  65  11.47 +/- 1.63   2.937% *  0.0278% (0.03 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HD2   LYS+  74  12.61 +/- 3.66   5.552% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  38  24.65 +/- 4.59   0.265% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   LYS+  74  15.31 +/- 3.90   1.375% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  24.49 +/- 3.58   0.297% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  15.69 +/- 2.72   1.037% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  18.91 +/- 2.14   0.538% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD2   LYS+  74  19.93 +/- 2.51   0.575% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  20.38 +/- 3.42   0.536% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  20.71 +/- 3.22   0.468% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  16.35 +/- 3.16   1.317% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  28.93 +/- 2.22   0.153% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.58 +/- 1.77   0.165% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.10 +/- 3.52   2.209% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  27.05 +/- 4.02   0.411% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  22.78 +/- 3.92   0.342% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 221.0:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.72 +/- 0.45  75.799% * 99.6020% (1.00  10.0   5.37 221.00) =  99.997%  kept
          QG    GLN   17 - QD    LYS+  65  10.92 +/- 5.03   7.759% *  0.0045% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  16.53 +/- 1.14   0.456% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  13.29 +/- 2.45   1.173% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  14.77 +/- 1.03   0.631% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  16.23 +/- 3.22   0.570% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  12.78 +/- 6.09   2.548% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  10.79 +/- 2.51   2.836% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65   9.28 +/- 1.47   3.382% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.19 +/- 1.80   0.287% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  18.20 +/- 3.40   0.406% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.26 +/- 2.31   0.290% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  17.94 +/- 2.65   0.402% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  21.21 +/- 2.16   0.200% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  17.11 +/- 3.84   0.523% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  30.68 +/- 2.26   0.071% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  20.43 +/- 2.67   0.275% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  18.01 +/- 2.99   0.415% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  21.22 +/- 4.42   0.286% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  19.81 +/- 2.80   0.336% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.91 +/- 2.10   0.308% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  19.28 +/- 3.80   0.420% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  30.87 +/- 2.45   0.064% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  32.60 +/- 3.75   0.066% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  21.56 +/- 2.75   0.209% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  26.36 +/- 5.14   0.133% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.13 +/- 4.55   0.084% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.24 +/- 3.99   0.071% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 221.0:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.47 +/- 0.32  67.282% * 98.4611% (1.00  10.0 10.00   4.63 221.00) =  99.992%  kept
          HB3   GLN   30 - QD    LYS+  38  13.20 +/- 1.56   0.588% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  38   9.77 +/- 0.59   1.294% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD    LYS+  65  13.03 +/- 4.01   8.121% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HD2   LYS+  74  20.65 +/- 2.48   0.147% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  12.57 +/- 1.48   0.703% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  16.19 +/- 2.37   0.338% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  19.69 +/- 2.36   0.162% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.69 +/- 2.41   0.445% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65  10.41 +/- 2.75   2.274% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  14.96 +/- 2.59   1.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  12.90 +/- 2.77   0.783% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  11.06 +/- 3.18   2.076% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  12.82 +/- 2.27   0.804% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  14.98 +/- 2.34   0.458% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   8.99 +/- 2.10   2.917% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  14.93 +/- 3.51   0.535% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  15.74 +/- 3.65   0.437% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  24.12 +/- 3.10   0.089% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  23.57 +/- 3.98   0.116% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  17.79 +/- 4.14   0.484% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.73 +/- 3.56   0.618% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  16.02 +/- 3.96   0.442% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.49 +/- 1.69   0.499% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  15.68 +/- 2.28   0.322% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  15.50 +/- 1.91   0.319% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  14.99 +/- 3.76   0.847% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  27.20 +/- 1.53   0.060% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.99 +/- 2.35   0.082% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.80 +/- 2.97   0.718% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  29.62 +/- 2.59   0.053% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  15.98 +/- 1.35   0.293% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  14.51 +/- 2.87   0.663% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  18.04 +/- 3.53   0.273% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  17.78 +/- 2.64   0.232% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  18.01 +/- 2.40   0.329% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  15.97 +/- 3.37   0.450% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  28.30 +/- 4.83   0.077% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.46 +/- 3.36   0.365% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  17.14 +/- 2.42   0.268% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  30.58 +/- 2.08   0.041% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  20.97 +/- 4.49   0.201% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.86 +/- 1.72   0.198% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  20.56 +/- 3.37   0.219% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  19.09 +/- 3.47   0.225% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  16.15 +/- 1.64   0.311% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.66 +/- 3.04   0.315% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  22.73 +/- 3.04   0.110% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.96 +/- 3.26   0.064% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  20.43 +/- 1.74   0.150% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  24.23 +/- 3.74   0.143% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.05 +/- 3.02   0.056% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.963, support = 5.77, residual support = 224.4:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.37 +/- 0.15  42.669% * 91.2181% (1.00  10.0 10.00   5.75 221.00) =  96.000%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.75 +/- 0.24  28.611% *  5.4974% (0.06  10.0 10.00   6.21 315.01) =   3.879%  kept
        T HG2   LYS+  99 - QD    LYS+  38   7.22 +/- 2.04   5.066% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.112%  kept
          HG    LEU   98 - QD    LYS+  38  11.91 +/- 2.72   3.331% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  38  15.58 +/- 6.54   1.773% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+  74   7.03 +/- 1.74   4.914% *  0.0068% (0.07   1.0  1.00   0.02   5.49) =   0.001%
          HB2   LEU   31 - QD    LYS+  38  12.09 +/- 1.79   0.454% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  38  27.21 +/- 2.70   0.031% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.32 +/- 3.21   0.115% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.54 +/- 2.14   0.092% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  19.03 +/- 3.25   0.120% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.56 +/- 1.11   2.116% *  0.0075% (0.08   1.0  1.00   0.02   3.40) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65   9.65 +/- 3.10   2.668% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   7.98 +/- 1.62   1.633% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  20.35 +/- 2.77   0.085% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  21.16 +/- 2.21   0.066% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  21.48 +/- 2.98   0.075% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.53 +/- 2.50   1.137% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  11.75 +/- 3.13   1.038% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  12.27 +/- 2.65   0.522% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.12 +/- 2.91   0.140% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  16.08 +/- 2.87   0.250% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  24.68 +/- 3.44   0.045% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.81 +/- 1.46   0.078% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.73 +/- 3.76   0.314% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.91 +/- 3.98   0.052% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.04 +/- 1.53   0.038% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  17.09 +/- 2.81   0.153% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.46 +/- 1.41   0.082% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.31 +/- 2.53   0.121% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.65 +/- 2.22   0.021% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.71 +/- 3.30   0.100% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.52 +/- 3.87   0.450% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  16.77 +/- 3.33   0.178% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.54 +/- 3.06   0.255% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.48 +/- 2.36   0.290% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  15.79 +/- 2.32   0.184% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.13 +/- 2.26   0.164% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.37 +/- 3.13   0.198% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  21.10 +/- 2.56   0.071% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.64 +/- 2.86   0.150% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.75 +/- 3.86   0.057% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.54 +/- 2.52   0.030% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.47 +/- 2.28   0.066% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.961, support = 5.54, residual support = 217.1:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.35 +/- 0.15  48.037% * 79.0464% (1.00  10.0 10.00   5.56 221.00) =  94.638%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.86 +/- 0.15  27.651% *  5.9128% (0.07  10.0 10.00   5.54 186.65) =   4.075%  kept
          QG2   THR   39 - QD    LYS+  38   6.16 +/- 0.93   3.742% * 13.3891% (0.90   1.0  1.00   3.78  30.37) =   1.249%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.66 +/- 1.80   3.473% *  0.2967% (0.38   1.0 10.00   0.02   0.02) =   0.026%
        T HG2   LYS+  74 - QD    LYS+  65   8.80 +/- 3.44   3.290% *  0.0493% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   34 - QD    LYS+  38   6.92 +/- 0.83   2.318% *  0.0633% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - QD    LYS+  38  19.48 +/- 2.40   0.103% *  0.2696% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74  11.80 +/- 2.96   1.436% *  0.0164% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  11.06 +/- 2.53   0.818% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  21.38 +/- 2.61   0.082% *  0.1733% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.48 +/- 2.04   1.006% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  20.37 +/- 2.74   0.090% *  0.1444% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.38 +/- 3.19   0.243% *  0.0448% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.51 +/- 2.92   0.131% *  0.0651% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.45 +/- 2.15   1.369% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.13 +/- 3.36   0.128% *  0.0542% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.16 +/- 2.41   0.090% *  0.0748% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.77 +/- 2.14   0.407% *  0.0155% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  12.76 +/- 5.09   0.536% *  0.0098% (0.12   1.0  1.00   0.02   7.99) =   0.000%
          QB    ALA   91 - QD    LYS+  65  15.14 +/- 3.68   0.395% *  0.0130% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.94 +/- 1.58   0.350% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.50 +/- 1.82   0.295% *  0.0155% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  18.07 +/- 1.88   0.123% *  0.0354% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.76 +/- 3.25   0.515% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.90 +/- 2.87   0.529% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  13.34 +/- 2.00   0.300% *  0.0130% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.91 +/- 1.78   0.302% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  13.91 +/- 3.20   0.640% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.95 +/- 1.32   0.048% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.07 +/- 2.04   0.438% *  0.0054% (0.07   1.0  1.00   0.02   0.84) =   0.000%
          QG2   THR   23 - QD    LYS+  65  14.39 +/- 2.20   0.282% *  0.0065% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.57 +/- 3.21   0.078% *  0.0203% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  30.24 +/- 2.69   0.025% *  0.0595% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.01 +/- 1.42   0.330% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.41 +/- 1.59   0.045% *  0.0223% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.30 +/- 4.57   0.142% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.98 +/- 2.46   0.061% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.35 +/- 2.00   0.063% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.25 +/- 4.07   0.042% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  25.92 +/- 3.69   0.050% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.5:
    * O T HB    THR   39 - HA    THR   39   2.71 +/- 0.18  81.238% * 98.6574% (1.00  10.0 10.00   3.00  38.54) =  99.979%  kept
          HB3   SER   37 - HA    THR   39   5.55 +/- 0.63  11.177% *  0.0952% (0.97   1.0  1.00   0.02   4.51) =   0.013%
        T HB    THR   39 - HA    ILE  103  12.26 +/- 1.37   1.056% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.004%
          QB    SER   13 - HA    THR   39  15.76 +/- 3.84   0.827% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    THR   39  11.07 +/- 1.69   1.606% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  17.96 +/- 2.75   0.355% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  29.07 +/- 2.24   0.071% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  13.34 +/- 3.56   1.023% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  14.72 +/- 1.76   0.602% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.54 +/- 1.35   0.118% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  19.25 +/- 3.91   0.350% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  19.91 +/- 5.33   0.369% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  25.41 +/- 3.82   0.122% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  27.12 +/- 3.17   0.095% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  14.27 +/- 2.58   0.802% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  22.41 +/- 3.22   0.188% *  0.0325% (0.33   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 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.873, support = 3.05, residual support = 37.7:
    * O T QG2   THR   39 - HA    THR   39   2.64 +/- 0.42  52.233% * 72.4282% (0.87  10.0 10.00   3.00  38.54) =  93.891%  kept
          HG3   LYS+  38 - HA    THR   39   5.97 +/- 1.00  10.230% * 18.6144% (1.00   1.0  1.00   4.47  30.37) =   4.726%  kept
          QB    ALA   34 - HA    THR   39   5.28 +/- 0.68   7.890% *  6.8946% (0.84   1.0  1.00   1.98   4.96) =   1.350%  kept
        T QG2   THR   39 - HA    ILE  103  10.55 +/- 1.41   1.303% *  0.2393% (0.29   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   71 - HA    THR   39   7.15 +/- 3.39  12.703% *  0.0232% (0.28   1.0  1.00   0.02   0.15) =   0.007%
          HG3   LYS+  99 - HA    THR   39   7.46 +/- 2.57   6.392% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   THR   23 - HA    THR   39  17.10 +/- 2.37   0.323% *  0.4064% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   THR   23 - HA    ILE  103  17.26 +/- 3.82   0.574% *  0.1343% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    THR   39  22.97 +/- 1.25   0.090% *  0.7243% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    ILE  103   8.73 +/- 1.78   2.774% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  17.52 +/- 1.97   0.245% *  0.2393% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HA    THR   39  12.59 +/- 4.79   1.243% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE  103   8.41 +/- 0.76   1.778% *  0.0094% (0.11   1.0  1.00   0.02   0.12) =   0.000%
          QG2   ILE   56 - HA    THR   39  18.76 +/- 1.86   0.186% *  0.0806% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.94 +/- 1.95   0.503% *  0.0275% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.49 +/- 1.11   0.300% *  0.0266% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  16.53 +/- 1.76   0.255% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.27 +/- 3.03   0.496% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.40 +/- 3.09   0.245% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  16.81 +/- 1.35   0.236% *  0.0085% (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 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.5:
    * O T HA    THR   39 - HB    THR   39   2.71 +/- 0.18  97.020% * 98.7925% (1.00  10.0 10.00   3.00  38.54) =  99.989%  kept
        T HA    ILE  103 - HB    THR   39  12.26 +/- 1.37   1.259% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASP-  44 - HB    THR   39  15.82 +/- 1.10   0.528% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  20.07 +/- 4.78   0.414% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  22.41 +/- 1.81   0.195% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.82 +/- 2.05   0.201% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  22.45 +/- 1.83   0.189% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.17 +/- 2.36   0.087% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  27.95 +/- 3.18   0.107% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.864, support = 2.94, residual support = 34.0:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.01  66.592% * 44.8098% (0.87  10.0 10.00   3.00  38.54) =  85.761%  kept
        T QB    ALA   34 - HB    THR   39   4.68 +/- 1.23  10.765% * 43.1486% (0.84   1.0 10.00   2.46   4.96) =  13.350%  kept
          HG3   LYS+  38 - HB    THR   39   7.36 +/- 1.17   2.720% * 11.0586% (1.00   1.0  1.00   4.29  30.37) =   0.865%  kept
        T HG3   LYS+  99 - HB    THR   39   8.79 +/- 2.84   2.667% *  0.1762% (0.34   1.0 10.00   0.02   0.02) =   0.014%
          HG    LEU   71 - HB    THR   39   6.54 +/- 3.53  14.062% *  0.0144% (0.28   1.0  1.00   0.02   0.15) =   0.006%
          HG13  ILE   19 - HB    THR   39  11.07 +/- 5.69   2.566% *  0.0272% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HB    THR   39  15.74 +/- 2.80   0.271% *  0.2514% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HB    THR   39  22.55 +/- 1.32   0.060% *  0.4481% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  18.77 +/- 1.47   0.108% *  0.0499% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  15.69 +/- 1.50   0.189% *  0.0159% (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 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.5:
    * O T HA    THR   39 - QG2   THR   39   2.64 +/- 0.42  61.650% * 96.3159% (0.87  10.0 10.00   3.00  38.54) =  99.947%  kept
        T HA    ILE  103 - QG2   THR   39  10.55 +/- 1.41   1.606% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.019%
          HB    THR   77 - QB    ALA   91   5.80 +/- 2.36  19.487% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.009%
        T HA    ILE  103 - QG2   THR   23  17.26 +/- 3.82   0.689% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.005%
        T HA    THR   39 - QG2   THR   23  17.10 +/- 2.37   0.417% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB    THR   77 - QG2   THR   23  15.40 +/- 3.73   0.552% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - QG2   THR   23  12.13 +/- 6.74   2.757% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QB    ALA   91   9.45 +/- 3.03   2.624% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QB    ALA   91  17.52 +/- 1.97   0.305% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QB    ALA   91  10.83 +/- 2.57   1.421% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QB    ALA   91   8.90 +/- 0.91   1.995% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    ALA   91  22.97 +/- 1.25   0.111% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    ALA   91  13.28 +/- 3.85   1.059% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  13.39 +/- 1.17   0.660% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91  10.30 +/- 0.83   1.295% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   39  18.88 +/- 2.06   0.259% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  16.70 +/- 4.22   0.391% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.98 +/- 2.06   0.613% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  18.26 +/- 1.24   0.237% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  18.96 +/- 1.89   0.277% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  18.47 +/- 4.00   0.360% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  16.35 +/- 4.00   0.439% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  19.30 +/- 5.84   0.319% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  21.02 +/- 3.20   0.197% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.45 +/- 2.19   0.105% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  23.59 +/- 2.89   0.126% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  30.18 +/- 2.98   0.049% *  0.0221% (0.20   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 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.865, support = 2.96, residual support = 37.9:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.01  59.081% * 90.9710% (0.87  10.0 10.00   3.00  38.54) =  98.166%  kept
          HB3   SER   37 - QG2   THR   39   3.80 +/- 1.11  23.369% *  3.2923% (0.84   1.0  1.00   0.75   4.51) =   1.405%  kept
          HA    ILE   89 - QB    ALA   91   5.65 +/- 0.97   5.744% *  4.0069% (0.40   1.0  1.00   1.93   7.75) =   0.420%  kept
        T HB    THR   39 - QG2   THR   23  15.74 +/- 2.80   0.244% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   30 - QG2   THR   39   8.06 +/- 2.55   3.017% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR   39  12.14 +/- 3.57   0.618% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   91   8.25 +/- 3.29   4.069% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23  15.19 +/- 7.96   1.002% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  22.55 +/- 1.32   0.054% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  13.51 +/- 2.53   0.327% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  12.39 +/- 1.26   0.344% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.49 +/- 2.52   0.201% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  15.99 +/- 2.42   0.205% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.61 +/- 0.98   0.777% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  20.35 +/- 4.34   0.228% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  20.80 +/- 3.57   0.090% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  22.48 +/- 2.80   0.063% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  19.79 +/- 4.22   0.109% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  15.88 +/- 1.62   0.158% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.23 +/- 2.39   0.046% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.97 +/- 1.41   0.040% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  20.92 +/- 2.99   0.097% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.13 +/- 1.80   0.046% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.36 +/- 2.27   0.068% *  0.0107% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (1.26, 1.26, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   39 - QG2   THR   39  (0.75)  kept
          QB    ALA   91 - QB    ALA   91  (0.36)  kept
          QG2   THR   23 - QG2   THR   23  (0.24)  kept
 
    Peak 392 (4.40, 4.40, 56.43 ppm):
    3 diagonal assignments:
    *     HA    LEU   40 - HA    LEU   40  (1.00)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.14)  kept
 
    Peak 393 (1.94, 4.40, 56.43 ppm):
    21 chemical-shift based assignments, quality = 0.994, support = 5.29, residual support = 101.3:
    * O T HB2   LEU   40 - HA    LEU   40   2.48 +/- 0.26  69.915% * 93.6602% (1.00  10.0 10.00   5.32 102.23) =  99.083%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.84 +/- 0.68  12.961% *  4.4323% (0.39   1.0  1.00   2.40   1.69) =   0.869%  kept
        T HB2   LEU   40 - HA    ASN   35   9.21 +/- 1.61   4.345% *  0.3512% (0.37   1.0 10.00   0.02   0.02) =   0.023%
        T HB2   LEU   40 - HA    GLU-  15  14.78 +/- 4.06   1.076% *  0.7574% (0.81   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   LEU   67 - HA    GLU-  15  13.67 +/- 5.54   3.654% *  0.1169% (0.12   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU   67 - HA    LEU   40  11.35 +/- 3.06   1.308% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   96 - HA    LEU   40  11.49 +/- 0.81   0.830% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.26 +/- 0.54   1.479% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HA    ASN   35  16.83 +/- 2.85   0.362% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.12 +/- 2.48   0.832% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  15.12 +/- 4.15   0.577% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.33 +/- 3.78   0.374% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  16.87 +/- 4.91   0.870% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  16.61 +/- 1.85   0.335% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  21.11 +/- 3.32   0.155% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  24.30 +/- 4.46   0.140% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  27.09 +/- 5.07   0.088% *  0.0459% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.78 +/- 4.00   0.118% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  21.56 +/- 5.95   0.288% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  18.19 +/- 2.32   0.225% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  30.06 +/- 4.90   0.067% *  0.0213% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.887, support = 5.52, residual support = 102.2:
    * O T HB3   LEU   40 - HA    LEU   40   2.86 +/- 0.23  45.841% * 70.6117% (1.00  10.0 10.00   5.56 102.23) =  81.910%  kept
      O T HG    LEU   40 - HA    LEU   40   3.51 +/- 0.29  26.902% * 26.5014% (0.38  10.0 10.00   5.39 102.23) =  18.041%  kept
        T HB3   LEU   40 - HA    ASN   35   9.74 +/- 1.37   1.672% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   LEU   40 - HA    GLU-  15  14.28 +/- 4.38   0.748% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU   67 - HA    GLU-  15  13.59 +/- 6.23  11.294% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.008%
        T HG    LEU  115 - HA    LEU   40  16.94 +/- 1.78   0.258% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - HA    ASN   35  10.64 +/- 1.41   1.023% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - HA    GLU-  15  19.74 +/- 4.47   1.621% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - HA    LEU   40  16.18 +/- 1.83   0.289% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LEU   40  11.31 +/- 2.72   1.193% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    GLU-  15  23.15 +/- 4.25   0.184% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LEU   40  14.46 +/- 3.00   0.485% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - HA    ASN   35  23.22 +/- 2.69   0.116% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    GLU-  15  10.62 +/- 2.13   1.696% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LEU   40  14.32 +/- 2.23   0.565% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LEU   40  12.70 +/- 1.96   0.830% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  15.71 +/- 4.73   0.445% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  23.35 +/- 4.75   0.231% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  22.53 +/- 2.39   0.114% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  15.09 +/- 3.63   0.503% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  21.72 +/- 5.60   0.955% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  14.45 +/- 4.59   0.629% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  16.18 +/- 4.80   0.452% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  19.22 +/- 2.88   0.219% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.18 +/- 1.07   0.665% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.68 +/- 2.27   0.275% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.73 +/- 2.74   0.292% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.47 +/- 1.83   0.213% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  19.90 +/- 4.32   0.178% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  21.81 +/- 1.72   0.110% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.31, residual support = 102.1:
    * O T HA    LEU   40 - HB2   LEU   40   2.48 +/- 0.26  63.982% * 97.5636% (1.00  10.0 10.00   5.32 102.23) =  99.845%  kept
          HA    LYS+  99 - HB2   LEU   40   5.76 +/- 2.35  13.061% *  0.5051% (0.25   1.0  1.00   0.42  10.27) =   0.106%  kept
        T HA    ASN   35 - HB2   LEU   40   9.21 +/- 1.61   4.124% *  0.3662% (0.38   1.0 10.00   0.02   0.02) =   0.024%
        T HA    GLU-  15 - HB2   LEU   40  14.78 +/- 4.06   1.008% *  0.9229% (0.95   1.0 10.00   0.02   0.02) =   0.015%
        T HA    GLU-  15 - HB2   LEU   67  13.67 +/- 5.54   3.364% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LEU   40 - HB2   LEU   67  11.35 +/- 3.06   1.217% *  0.0899% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   LEU   40  14.71 +/- 6.77   1.536% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   LEU   40  10.22 +/- 0.69   1.068% *  0.0366% (0.38   1.0  1.00   0.02   0.52) =   0.001%
          HA    GLN   17 - HB2   LEU   40  15.37 +/- 4.82   0.946% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU   40  17.74 +/- 3.77   0.325% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  19.37 +/- 3.90   0.248% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67  10.93 +/- 7.24   5.061% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.83 +/- 2.85   0.341% *  0.0338% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  19.94 +/- 2.67   0.164% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  19.65 +/- 1.07   0.148% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  13.23 +/- 2.49   0.610% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  15.46 +/- 5.48   0.669% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  17.94 +/- 5.25   0.300% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  14.72 +/- 2.84   0.495% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  14.47 +/- 3.50   0.655% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  16.84 +/- 3.20   0.368% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  16.01 +/- 1.69   0.309% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.921, support = 4.32, residual support = 101.7:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  57.867% * 69.9238% (1.00  10.0 10.00   4.27 102.23) =  88.056%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.65 +/- 0.31  18.837% * 26.2432% (0.38  10.0  1.00   4.72 102.23) =  10.758%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.70 +/- 0.26  17.326% *  3.1374% (0.04  10.0  1.00   5.11  60.35) =   1.183%  kept
        T HB3   LEU   40 - HB2   LEU   67   9.87 +/- 3.54   0.575% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HB2   LEU   40  15.88 +/- 2.09   0.100% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU   67   9.63 +/- 3.66   0.766% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40  10.50 +/- 3.05   0.487% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.79 +/- 3.72   0.207% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.66 +/- 2.75   0.138% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  14.06 +/- 5.20   0.501% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  14.76 +/- 2.78   0.149% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  16.59 +/- 1.93   0.081% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67   9.58 +/- 3.05   1.250% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  13.66 +/- 2.16   0.188% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.47 +/- 2.21   0.127% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  16.21 +/- 2.88   0.086% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  14.68 +/- 3.84   0.177% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.88 +/- 0.83   0.715% *  0.0014% (0.02   1.0  1.00   0.02   0.29) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.75 +/- 2.76   0.218% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  16.11 +/- 4.43   0.205% *  0.0011% (0.02   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 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.55, residual support = 102.1:
    * O T HA    LEU   40 - HB3   LEU   40   2.86 +/- 0.23  68.845% * 97.4978% (1.00  10.0 10.00   5.56 102.23) =  99.887%  kept
          HA    LYS+  99 - HB3   LEU   40   6.55 +/- 1.81  10.378% *  0.5047% (0.25   1.0  1.00   0.42  10.27) =   0.078%
        T HA    GLU-  15 - HB3   LEU   40  14.28 +/- 4.38   1.105% *  0.9223% (0.95   1.0 10.00   0.02   0.02) =   0.015%
        T HA    ASN   35 - HB3   LEU   40   9.74 +/- 1.37   2.392% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.013%
          HA    LEU  123 - HB3   LEU   40  14.69 +/- 6.57   1.671% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   LEU   40  10.36 +/- 0.50   1.531% *  0.0366% (0.38   1.0  1.00   0.02   0.52) =   0.001%
        T HA    LEU   40 - HB3   LEU  115  16.18 +/- 1.83   0.469% *  0.1144% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   LEU   40  14.78 +/- 5.28   1.326% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU   40  17.41 +/- 3.00   0.491% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LEU   40  18.88 +/- 3.82   0.382% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  15 - HB3   LEU  115  23.15 +/- 4.25   0.270% *  0.1082% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.96 +/- 1.62   2.540% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   7.49 +/- 1.17   4.968% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.12 +/- 1.24   0.261% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  19.67 +/- 2.32   0.265% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  22.53 +/- 2.39   0.176% *  0.0429% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.48 +/- 1.23   1.285% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.86 +/- 1.41   0.702% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  20.28 +/- 4.65   0.347% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  27.96 +/- 4.31   0.108% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  17.09 +/- 1.63   0.360% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  24.60 +/- 2.47   0.128% *  0.0043% (0.04   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 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 102.2:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  96.731% * 99.4293% (1.00  10.0 10.00   4.27 102.23) =  99.998%  kept
        T HB2   LEU   67 - HB3   LEU   40   9.87 +/- 3.54   0.960% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HB3   LEU   40  12.34 +/- 1.04   0.310% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  15.88 +/- 2.09   0.168% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.66 +/- 4.73   0.348% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  17.27 +/- 4.16   0.156% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  23.43 +/- 4.89   0.087% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  10.74 +/- 1.33   0.478% *  0.0093% (0.09   1.0  1.00   0.02   0.11) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.47 +/- 2.21   0.214% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.07 +/- 1.36   0.262% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.95 +/- 4.25   0.053% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  17.96 +/- 4.47   0.167% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  25.85 +/- 4.32   0.047% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  33.32 +/- 4.69   0.019% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.31, residual support = 75.8:
    * O T HB    VAL   41 - HA    VAL   41   2.77 +/- 0.19  83.989% * 99.0830% (0.69  10.0 10.00   4.31  75.81) =  99.986%  kept
          HG12  ILE  103 - HA    VAL   41   9.29 +/- 1.17   2.850% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - HA    VAL   41  12.54 +/- 2.80   2.627% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    VAL   41  10.27 +/- 1.96   2.694% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  103 - HA    VAL   41  11.02 +/- 0.99   1.535% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    VAL   41  12.02 +/- 1.92   1.306% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    VAL   41  10.26 +/- 1.42   1.883% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  17.08 +/- 3.48   0.492% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    VAL   41  11.38 +/- 1.23   1.440% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.32 +/- 1.45   0.182% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  21.60 +/- 3.35   0.250% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.16 +/- 1.38   0.328% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.26 +/- 1.71   0.276% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  23.45 +/- 1.54   0.148% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.23, residual support = 75.0:
    * O T QG1   VAL   41 - HA    VAL   41   2.76 +/- 0.35  58.564% * 93.6657% (1.00  10.0 10.00   4.27  75.81) =  98.929%  kept
          QG1   VAL   43 - HA    VAL   41   5.80 +/- 1.10  10.766% *  5.2239% (0.95   1.0  1.00   1.18   1.33) =   1.014%  kept
        T QG2   VAL   18 - HA    VAL   41  11.23 +/- 4.18   1.759% *  0.7158% (0.76   1.0 10.00   0.02   0.02) =   0.023%
        T QD2   LEU  104 - HA    VAL   41   7.84 +/- 1.54   4.652% *  0.1854% (0.20   1.0 10.00   0.02   0.02) =   0.016%
          QD2   LEU   73 - HA    VAL   41   5.96 +/- 1.71  16.823% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.013%
          HG    LEU   31 - HA    VAL   41   8.64 +/- 1.95   3.186% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   41   9.49 +/- 3.27   2.945% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    VAL   41  12.64 +/- 0.87   0.703% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  13.84 +/- 1.65   0.602% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 75.7:
    * O T QG2   VAL   41 - HA    VAL   41   2.31 +/- 0.45  80.101% * 98.5285% (1.00  10.0 10.00   3.92  75.81) =  99.734%  kept
          QD2   LEU   98 - HA    VAL   41   5.22 +/- 2.04  15.757% *  1.3185% (0.95   1.0  1.00   0.28  26.53) =   0.263%  kept
          QD2   LEU   63 - HA    VAL   41   8.30 +/- 2.00   3.569% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   80 - HA    VAL   41  14.55 +/- 3.80   0.573% *  0.0932% (0.95   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 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.31, residual support = 75.8:
    * O T HA    VAL   41 - HB    VAL   41   2.77 +/- 0.19  97.262% * 99.8595% (0.69  10.0 10.00   4.31  75.81) =  99.998%  kept
          HA    HIS  122 - HB    VAL   41  14.09 +/- 4.83   1.691% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB    VAL   41  12.62 +/- 0.85   1.047% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.686, support = 4.26, residual support = 75.3:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  67.695% * 92.9370% (0.69  10.0 10.00   4.28  75.81) =  99.253%  kept
          QG1   VAL   43 - HB    VAL   41   5.10 +/- 1.31   7.470% *  5.9613% (0.65   1.0  1.00   1.36   1.33) =   0.703%  kept
        T QD2   LEU  104 - HB    VAL   41   6.84 +/- 1.85   8.921% *  0.1839% (0.14   1.0 10.00   0.02   0.02) =   0.026%
        T QG2   VAL   18 - HB    VAL   41  12.06 +/- 4.02   0.766% *  0.7103% (0.52   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   73 - HB    VAL   41   6.14 +/- 2.05  10.302% *  0.0417% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   31 - HB    VAL   41   7.46 +/- 2.52   3.047% *  0.0564% (0.42   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HB    VAL   41  10.05 +/- 3.11   1.220% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   41  12.90 +/- 1.27   0.326% *  0.0601% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  14.28 +/- 1.56   0.252% *  0.0207% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 4.12, residual support = 73.0:
    * O T QG2   VAL   41 - HB    VAL   41   2.11 +/- 0.02  62.298% * 90.3553% (0.69  10.0 10.00   4.24  75.81) =  94.317%  kept
          QD2   LEU   98 - HB    VAL   41   3.84 +/- 2.43  35.671% *  9.5044% (0.65   1.0  1.00   2.22  26.53) =   5.681%  kept
          QD2   LEU   63 - HB    VAL   41   9.50 +/- 2.18   1.391% *  0.0548% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB    VAL   41  14.26 +/- 4.27   0.641% *  0.0855% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 75.8:
    * O T HA    VAL   41 - QG2   VAL   41   2.31 +/- 0.45  94.421% * 99.8595% (1.00  10.0 10.00   3.92  75.81) =  99.996%  kept
          HA    HIS  122 - QG2   VAL   41  12.53 +/- 4.47   4.289% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HA    PHE   45 - QG2   VAL   41  10.87 +/- 0.66   1.290% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.24, residual support = 75.8:
    * O T HB    VAL   41 - QG2   VAL   41   2.11 +/- 0.02  85.442% * 99.0830% (0.69  10.0 10.00   4.24  75.81) =  99.987%  kept
          HG12  ILE  103 - QG2   VAL   41   7.01 +/- 1.57   3.865% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HG3   PRO   68 - QG2   VAL   41  12.02 +/- 2.23   1.797% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - QG2   VAL   41   7.85 +/- 1.97   2.591% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   VAL   41   8.50 +/- 1.34   1.624% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG2   VAL   41   9.16 +/- 1.44   1.561% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG2   VAL   41  11.38 +/- 1.66   0.887% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG2   VAL   41  15.64 +/- 2.99   0.316% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   VAL   41   9.61 +/- 1.23   1.082% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.43 +/- 1.51   0.118% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.09 +/- 2.61   0.141% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.84 +/- 1.28   0.218% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.65 +/- 1.96   0.244% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  19.59 +/- 1.44   0.114% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 3.92, residual support = 74.6:
    * O T QG1   VAL   41 - QG2   VAL   41   2.05 +/- 0.06  57.270% * 88.8190% (1.00  10.0 10.00   3.97  75.81) =  98.354%  kept
          QG1   VAL   43 - QG2   VAL   41   4.59 +/- 0.89   7.200% *  7.7160% (0.95   1.0  1.00   1.84   1.33) =   1.074%  kept
          HG    LEU   31 - QG2   VAL   41   6.25 +/- 2.84  10.116% *  1.8802% (0.61   1.0  1.00   0.70   0.02) =   0.368%  kept
          QD2   LEU   73 - QG2   VAL   41   5.15 +/- 1.91  13.527% *  0.6255% (0.45   1.0  1.00   0.31   0.02) =   0.164%  kept
        T QD2   LEU  104 - QG2   VAL   41   6.26 +/- 1.83   7.331% *  0.1758% (0.20   1.0 10.00   0.02   0.02) =   0.025%
        T QG2   VAL   18 - QG2   VAL   41  10.03 +/- 3.90   1.062% *  0.6788% (0.76   1.0 10.00   0.02   0.02) =   0.014%
          QD1   ILE   19 - QG2   VAL   41   7.95 +/- 3.32   2.825% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QG2   VAL   41  11.03 +/- 0.77   0.384% *  0.0575% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  12.56 +/- 1.35   0.285% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.864, support = 4.46, residual support = 87.5:
    * O T HB    VAL   42 - HA    VAL   42   2.80 +/- 0.24  62.123% * 87.6786% (0.87  10.0 10.00   4.53  89.37) =  97.844%  kept
          QB    LEU   98 - HA    VAL   42   5.21 +/- 1.47  14.997% *  6.6465% (0.76   1.0  1.00   1.72   0.36) =   1.791%  kept
        T HB2   LYS+ 112 - HA    PHE   55   8.77 +/- 3.13   4.787% *  2.1830% (0.16   1.0 10.00   0.27   0.85) =   0.188%  kept
          HB3   LEU   73 - HA    VAL   42   8.43 +/- 2.11   4.659% *  1.8884% (0.80   1.0  1.00   0.47   0.62) =   0.158%  kept
        T HB2   LYS+ 112 - HA    VAL   42  16.19 +/- 2.89   0.615% *  0.6943% (0.69   1.0 10.00   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - HA    VAL   42   8.49 +/- 1.18   2.911% *  0.0572% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HA    VAL   42  13.51 +/- 2.77   1.115% *  0.0877% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    VAL   42  10.49 +/- 1.40   1.540% *  0.0492% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  12.23 +/- 1.26   0.891% *  0.0772% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    PHE   55  17.77 +/- 2.33   0.304% *  0.2063% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    VAL   42  13.21 +/- 1.42   0.656% *  0.0933% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    VAL   42  13.33 +/- 3.91   1.176% *  0.0453% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    VAL   42  15.08 +/- 3.72   0.662% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  19.84 +/- 2.33   0.203% *  0.0975% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.80 +/- 4.69   0.578% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  18.39 +/- 3.66   0.946% *  0.0116% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.23 +/- 2.22   0.487% *  0.0206% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.18 +/- 2.61   0.567% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  20.86 +/- 1.86   0.162% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  27.89 +/- 5.29   0.107% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  20.70 +/- 1.94   0.169% *  0.0135% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  28.44 +/- 4.42   0.097% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.21 +/- 3.42   0.184% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  28.35 +/- 2.16   0.064% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 89.3:
    * O T QG1   VAL   42 - HA    VAL   42   2.63 +/- 0.30  80.245% * 98.1799% (0.97  10.0 10.00   4.00  89.37) =  99.965%  kept
        T QB    ALA   64 - HA    VAL   42   7.01 +/- 1.53   7.123% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.018%
        T QB    ALA   47 - HA    VAL   42  14.22 +/- 0.74   0.569% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T QB    ALA   47 - HA    PHE   55  10.63 +/- 1.27   1.486% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL   42 - HA    PHE   55  13.45 +/- 2.02   0.810% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HA    PHE   55   7.98 +/- 3.24   7.818% *  0.0164% (0.16   1.0  1.00   0.02   0.85) =   0.002%
        T QB    ALA   64 - HA    PHE   55  12.79 +/- 2.27   1.233% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    VAL   42  15.99 +/- 2.99   0.717% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 89.1:
    * O T QG2   VAL   42 - HA    VAL   42   2.45 +/- 0.45  91.361% * 96.8205% (0.80  10.0 10.00   4.00  89.37) =  99.751%  kept
          QG2   VAL   75 - HA    VAL   42   6.57 +/- 1.10   7.467% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.247%  kept
        T QG2   VAL   42 - HA    PHE   55  14.64 +/- 2.05   0.724% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   75 - HA    PHE   55  15.46 +/- 1.89   0.449% *  0.0184% (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 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.52, residual support = 89.3:
    * O T HA    VAL   42 - HB    VAL   42   2.80 +/- 0.24  82.179% * 97.9628% (0.87  10.0 10.00   4.53  89.37) =  99.955%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.77 +/- 3.13   6.408% *  0.3914% (0.35   1.0 10.00   0.02   0.85) =   0.031%
        T HA    VAL   42 - HB2   LYS+ 112  16.19 +/- 2.89   0.805% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.007%
        T HA    PHE   55 - HB    VAL   42  17.77 +/- 2.33   0.403% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA  110 - HB2   LYS+ 112   8.06 +/- 1.41   4.676% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    VAL   42  14.00 +/- 5.20   1.504% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.55 +/- 0.74   0.805% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   LYS+ 112  13.12 +/- 2.13   1.101% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.67 +/- 1.24   0.625% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  16.34 +/- 2.42   0.581% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  23.88 +/- 5.43   0.231% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.18 +/- 2.46   0.350% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  20.11 +/- 1.51   0.246% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  29.64 +/- 3.22   0.085% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (1.39, 1.39, 32.90 ppm):
    2 diagonal assignments:
    *     HB    VAL   42 - HB    VAL   42  (0.75)  kept
          HB2   LYS+ 112 - HB2   LYS+ 112  (0.42)  kept
 
    Peak 419 (0.37, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.745, support = 5.01, residual support = 121.9:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  56.509% * 64.9696% (0.84  10.0 10.00   4.53  89.37) =  78.006%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.63 +/- 0.28  31.597% * 32.6350% (0.42  10.0 10.00   6.74 238.06) =  21.910%  kept
          QB    ALA   64 - HB    VAL   42   5.56 +/- 1.68   9.193% *  0.3193% (0.17   1.0  1.00   0.48   0.02) =   0.062%
        T QG1   VAL   42 - HB2   LYS+ 112  11.82 +/- 2.90   1.372% *  0.4585% (0.59   1.0 10.00   0.02   0.02) =   0.013%
        T QB    ALA   47 - HB2   LYS+ 112  12.24 +/- 1.74   0.365% *  0.4740% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T QB    ALA   47 - HB    VAL   42  14.63 +/- 0.98   0.176% *  0.6717% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 112 - HB    VAL   42  15.77 +/- 3.19   0.221% *  0.4624% (0.60   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   64 - HB2   LYS+ 112  13.65 +/- 2.26   0.567% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.38, residual support = 89.4:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.01  94.852% * 99.1635% (0.69  10.0 10.00   4.38  89.37) =  99.988%  kept
        T QG2   VAL   42 - HB2   LYS+ 112  12.71 +/- 2.91   1.173% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.009%
          QG2   VAL   75 - HB    VAL   42   7.40 +/- 1.17   2.783% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   75 - HB2   LYS+ 112  15.05 +/- 2.80   1.193% *  0.0565% (0.40   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 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.836, support = 4.48, residual support = 88.1:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.01  67.525% * 89.1065% (0.84  10.0 10.00   4.53  89.37) =  98.585%  kept
          HB3   LEU   73 - QG1   VAL   42   6.91 +/- 2.63  14.614% *  5.2117% (0.77   1.0  1.00   1.27   0.62) =   1.248%  kept
          QB    LEU   98 - QG1   VAL   42   6.41 +/- 1.20   3.268% *  2.4382% (0.74   1.0  1.00   0.62   0.36) =   0.131%  kept
        T HB2   LYS+ 112 - QG1   VAL   42  11.82 +/- 2.90   1.390% *  0.7056% (0.66   1.0 10.00   0.02   0.02) =   0.016%
        T HB2   LYS+ 112 - QB    ALA   47  12.24 +/- 1.74   0.436% *  0.6094% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - QG1   VAL   42   9.58 +/- 2.19   2.378% *  0.0891% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   42 - QB    ALA   47  14.63 +/- 0.98   0.218% *  0.7695% (0.72   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QB    ALA   47  12.77 +/- 5.01   1.662% *  0.0770% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QG1   VAL   42   8.12 +/- 1.64   1.896% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG1   VAL   42   8.17 +/- 1.40   1.562% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  12.22 +/- 1.90   0.648% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG1   VAL   42  10.60 +/- 2.85   1.019% *  0.0461% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG1   VAL   42  12.30 +/- 1.13   0.388% *  0.0785% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.14 +/- 1.52   0.326% *  0.0710% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  11.95 +/- 1.65   0.530% *  0.0432% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  10.94 +/- 2.03   0.749% *  0.0274% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  16.59 +/- 2.41   0.182% *  0.0991% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.80 +/- 3.00   0.499% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.55 +/- 0.84   0.178% *  0.0678% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.81 +/- 2.09   0.220% *  0.0502% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.27 +/- 3.13   0.073% *  0.0856% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  22.12 +/- 1.92   0.065% *  0.0819% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  21.51 +/- 1.69   0.070% *  0.0678% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.58 +/- 2.18   0.105% *  0.0398% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 3.99, residual support = 89.2:
    * O T QG2   VAL   42 - QG1   VAL   42   2.06 +/- 0.04  91.431% * 96.1881% (0.77  10.0 10.00   4.00  89.37) =  99.770%  kept
          QG2   VAL   75 - QG1   VAL   42   5.60 +/- 1.04   6.768% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.224%  kept
        T QG2   VAL   42 - QB    ALA   47  12.02 +/- 1.29   0.521% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   75 - QB    ALA   47   8.97 +/- 1.05   1.281% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 89.4:
    * O T HA    VAL   42 - QG2   VAL   42   2.45 +/- 0.45  92.544% * 99.2010% (0.80  10.0 10.00   4.00  89.37) =  99.992%  kept
        T HA    PHE   55 - QG2   VAL   42  14.64 +/- 2.05   0.733% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLN   17 - QG2   VAL   42  12.61 +/- 4.38   2.589% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG2   VAL   42  11.11 +/- 1.22   1.750% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   VAL   42  12.77 +/- 1.20   1.049% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG2   VAL   42  12.73 +/- 1.98   0.916% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  16.44 +/- 1.31   0.420% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.36, residual support = 88.9:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.01  73.295% * 94.5222% (0.69  10.0 10.00   4.38  89.37) =  99.520%  kept
          HB3   LEU   73 - QG2   VAL   42   7.70 +/- 2.25  11.877% *  1.5622% (0.64   1.0  1.00   0.36   0.62) =   0.267%  kept
          QB    LEU   98 - QG2   VAL   42   5.69 +/- 1.14   5.259% *  2.5863% (0.61   1.0  1.00   0.62   0.36) =   0.195%  kept
        T HB2   LYS+ 112 - QG2   VAL   42  12.71 +/- 2.91   0.912% *  0.7485% (0.55   1.0 10.00   0.02   0.02) =   0.010%
          HG3   LYS+  65 - QG2   VAL   42  10.32 +/- 2.59   1.338% *  0.0945% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG2   VAL   42  10.47 +/- 3.62   2.257% *  0.0489% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG2   VAL   42   7.93 +/- 1.20   1.714% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QG2   VAL   42  11.52 +/- 1.75   0.951% *  0.1006% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QG2   VAL   42   9.12 +/- 1.53   1.306% *  0.0530% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  11.55 +/- 1.41   0.541% *  0.0833% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  16.67 +/- 2.11   0.174% *  0.1052% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.83 +/- 2.84   0.376% *  0.0336% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 3.99, residual support = 89.2:
    * O T QG1   VAL   42 - QG2   VAL   42   2.06 +/- 0.04  76.958% * 98.4261% (0.77  10.0 10.00   4.00  89.37) =  99.853%  kept
          QB    ALA   64 - QG2   VAL   42   5.20 +/- 1.83  21.924% *  0.4862% (0.16   1.0  1.00   0.48   0.02) =   0.141%  kept
        T QB    ALA   47 - QG2   VAL   42  12.02 +/- 1.29   0.423% *  1.0176% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - QG2   VAL   42  12.51 +/- 2.88   0.695% *  0.0701% (0.55   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 61.0:
    * O T HB    VAL   43 - HA    VAL   43   2.88 +/- 0.19  97.018% * 99.7401% (0.97  10.0 10.00   3.30  60.96) =  99.997%  kept
          HB2   LYS+  99 - HA    VAL   43  12.21 +/- 1.06   1.457% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HA    VAL   43  15.74 +/- 1.59   0.718% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    VAL   43  16.26 +/- 4.65   0.807% *  0.0544% (0.53   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 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.889, support = 4.45, residual support = 59.8:
    * O T QG1   VAL   43 - HA    VAL   43   2.64 +/- 0.29  55.953% * 95.4174% (0.90  10.0 10.00   4.51  60.96) =  97.980%  kept
          QD2   LEU   73 - HA    VAL   43   4.29 +/- 1.40  25.975% *  4.1982% (0.53   1.0  1.00   1.50   6.16) =   2.001%  kept
          QG1   VAL   41 - HA    VAL   43   7.02 +/- 0.76   3.319% *  0.1055% (0.99   1.0  1.00   0.02   1.33) =   0.006%
          QG2   VAL   18 - HA    VAL   43  10.70 +/- 4.77   3.195% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   43   7.82 +/- 0.81   2.605% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HA    VAL   43   9.79 +/- 2.79   2.136% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU  104 - HA    VAL   43  10.20 +/- 2.49   4.629% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   43  10.90 +/- 1.80   1.145% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    VAL   43  11.18 +/- 2.66   1.042% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 60.9:
    * O T QG2   VAL   43 - HA    VAL   43   2.31 +/- 0.35  91.131% * 98.9143% (0.69  10.0 10.00   3.00  60.96) =  99.942%  kept
        T QD2   LEU   31 - HA    VAL   43   8.17 +/- 2.46   4.816% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.056%
          QG2   VAL   83 - HA    VAL   43   8.94 +/- 2.90   4.053% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 61.0:
    * O T HA    VAL   43 - HB    VAL   43   2.88 +/- 0.19  94.557% * 99.8083% (0.97  10.0 10.00   3.30  60.96) =  99.997%  kept
          HA    HIS   22 - HB    VAL   43  14.08 +/- 3.43   1.680% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  11.20 +/- 1.95   3.037% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB    VAL   43  15.46 +/- 1.55   0.727% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 3.87, residual support = 60.8:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.02  74.900% * 90.3046% (0.87  10.0 10.00   3.88  60.96) =  99.712%  kept
        T QG1   VAL   41 - HB    VAL   43   7.48 +/- 0.83   1.916% *  8.6161% (0.96   1.0 10.00   0.17   1.33) =   0.243%  kept
        T QD2   LEU  104 - HB    VAL   43   9.46 +/- 2.56  13.077% *  0.1554% (0.15   1.0 10.00   0.02   0.02) =   0.030%
        T QG2   VAL   18 - HB    VAL   43  12.64 +/- 4.45   0.735% *  0.6917% (0.66   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   73 - HB    VAL   43   6.06 +/- 1.58   5.909% *  0.0530% (0.51   1.0  1.00   0.02   6.16) =   0.005%
          HG    LEU   31 - HB    VAL   43  10.29 +/- 3.31   1.187% *  0.0692% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   43   8.54 +/- 0.95   1.315% *  0.0570% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB    VAL   43  11.41 +/- 1.23   0.541% *  0.0280% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  12.77 +/- 2.33   0.421% *  0.0251% (0.24   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.87, residual support = 60.9:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.01  92.361% * 98.9143% (0.66  10.0 10.00   2.87  60.96) =  99.969%  kept
        T QD2   LEU   31 - HB    VAL   43   8.59 +/- 2.88   2.525% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.029%
          QG2   VAL   83 - HB    VAL   43   7.89 +/- 3.03   5.114% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.99 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 = 61.0:
    * O T HA    VAL   43 - QG1   VAL   43   2.64 +/- 0.29  92.947% * 99.8083% (0.90  10.0 10.00   4.51  60.96) =  99.996%  kept
          HA    HIS   22 - QG1   VAL   43  11.57 +/- 3.14   2.705% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG1   VAL   43  12.48 +/- 1.30   1.048% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - QG1   VAL   43   8.84 +/- 1.36   3.300% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 3.88, residual support = 61.0:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.02  97.591% * 99.7401% (0.87  10.0 10.00   3.88  60.96) =  99.998%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.41 +/- 1.20   1.345% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   43  13.05 +/- 2.36   0.694% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   43  15.18 +/- 3.78   0.371% *  0.0544% (0.47   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 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 = 0.615, support = 4.0, residual support = 60.9:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.04  83.209% * 98.9143% (0.62  10.0 10.00   4.00  60.96) =  99.911%  kept
        T QD2   LEU   31 - QG1   VAL   43   6.53 +/- 2.93   6.651% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.084%
          QG2   VAL   83 - QG1   VAL   43   6.89 +/- 2.78  10.140% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.005%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.87, residual support = 60.9:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.01  90.786% * 99.3815% (0.66  10.0 10.00   2.87  60.96) =  99.989%  kept
        T HB    VAL   43 - QD2   LEU   31   8.59 +/- 2.88   2.483% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LYS+  99 - QD2   LEU   31  10.21 +/- 2.84   4.021% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  10.39 +/- 1.25   0.944% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  12.20 +/- 1.51   0.554% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   43  14.95 +/- 3.80   0.380% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  16.10 +/- 4.52   0.326% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.98 +/- 1.99   0.507% *  0.0155% (0.10   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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.532, support = 4.3, residual support = 89.3:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.04  32.468% * 78.8889% (0.62  10.0 10.00   4.00  60.96) =  82.339%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  30.208% * 17.3366% (0.14  10.0 10.00   5.90 231.95) =  16.835%  kept
          QD2   LEU   73 - QG2   VAL   43   4.52 +/- 1.40  10.262% *  1.7355% (0.36   1.0  1.00   0.75   6.16) =   0.573%  kept
          QG1   VAL   41 - QD2   LEU   31   5.39 +/- 1.91   7.008% *  0.8305% (0.20   1.0  1.00   0.66   0.02) =   0.187%  kept
        T HG    LEU   31 - QG2   VAL   43   7.94 +/- 3.13   1.360% *  0.6042% (0.47   1.0 10.00   0.02   0.02) =   0.026%
        T QG1   VAL   43 - QD2   LEU   31   6.53 +/- 2.93   2.518% *  0.2263% (0.18   1.0 10.00   0.02   0.02) =   0.018%
          QD2   LEU   73 - QD2   LEU   31   5.74 +/- 2.60   4.499% *  0.0718% (0.10   1.0  1.00   0.11   1.32) =   0.010%
          QG1   VAL   41 - QG2   VAL   43   6.18 +/- 0.95   1.605% *  0.0872% (0.68   1.0  1.00   0.02   1.33) =   0.004%
          QD2   LEU  104 - QG2   VAL   43   8.51 +/- 2.39   4.286% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - QG2   VAL   43  10.18 +/- 3.96   0.861% *  0.0604% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QG2   VAL   43   7.05 +/- 0.74   0.873% *  0.0498% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QG2   VAL   43  10.12 +/- 1.57   0.362% *  0.0245% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43  10.22 +/- 2.39   0.376% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   8.78 +/- 3.05   1.699% *  0.0039% (0.03   1.0  1.00   0.02   0.49) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.72 +/- 1.18   0.355% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   7.55 +/- 1.24   0.859% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  12.00 +/- 2.11   0.203% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  13.88 +/- 2.43   0.199% *  0.0070% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.5:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.75 +/- 0.26  90.397% * 97.1917% (1.00  10.0 10.00   2.64  39.48) =  99.984%  kept
        T QG    GLU-  14 - HA    ASP-  44  18.89 +/- 3.39   0.394% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T QG    GLU-  15 - HA    ASP-  44  18.68 +/- 3.22   0.365% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PHE   72 - HA    ASP-  44   8.70 +/- 0.85   3.391% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HG12  ILE  119 - HA    ASP-  44  10.63 +/- 1.70   1.914% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ASP-  44  13.61 +/- 1.27   0.876% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASP-  44  25.39 +/- 2.45   0.134% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44  10.79 +/- 1.47   2.222% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  18.97 +/- 1.74   0.306% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 39.5:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.70 +/- 0.26  70.950% * 98.4998% (1.00  10.0 10.00   4.14  39.48) =  99.953%  kept
        T QB    ALA   84 - HA    ASP-  44  11.02 +/- 1.39   1.599% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.018%
          HB3   PRO   93 - HA    ASP-  44   6.85 +/- 1.42  11.226% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.012%
          HB2   LEU   63 - HA    ASP-  44   8.37 +/- 3.09   7.504% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.010%
          HG    LEU   98 - HA    ASP-  44  11.31 +/- 1.99   1.504% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ASP-  44  12.70 +/- 2.96   1.087% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASP-  44  14.67 +/- 2.68   1.243% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    ASP-  44  15.62 +/- 2.08   0.447% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ASP-  44  10.55 +/- 1.54   1.503% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  12.75 +/- 2.87   2.142% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  17.98 +/- 1.75   0.274% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.27 +/- 0.72   0.348% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.39 +/- 0.63   0.172% *  0.0336% (0.34   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 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.5:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.75 +/- 0.26  89.002% * 98.1053% (1.00  10.0 10.00   2.64  39.48) =  99.990%  kept
          HB    THR   77 - HB2   ASP-  44  10.05 +/- 1.45   2.999% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  14 - HB2   ASP-  44  19.95 +/- 4.06   0.346% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   ASP-  44  26.51 +/- 3.40   0.126% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  44  13.43 +/- 1.01   0.843% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   ASP-  44   9.98 +/- 3.02   3.386% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  13.31 +/- 1.38   0.935% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ASP-  44  14.69 +/- 2.16   0.994% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  18.01 +/- 1.81   0.361% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.83 +/- 0.94   0.523% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  18.61 +/- 2.17   0.331% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  24.48 +/- 2.68   0.154% *  0.0478% (0.49   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 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.73, residual support = 39.5:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  83.724% * 99.2040% (1.00  10.0 10.00   2.73  39.48) =  99.983%  kept
          HB2   LEU   63 - HB2   ASP-  44   6.89 +/- 3.00  11.615% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.014%
          HB3   PRO   93 - HB2   ASP-  44   8.02 +/- 1.73   1.737% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HB2   ASP-  44  12.51 +/- 1.97   0.314% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  11.99 +/- 1.32   0.305% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  13.39 +/- 2.57   0.262% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  13.38 +/- 3.55   1.174% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.98 +/- 2.96   0.242% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  15.74 +/- 1.44   0.124% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.73 +/- 1.74   0.090% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.73 +/- 1.64   0.257% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.79 +/- 1.13   0.099% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.22 +/- 1.00   0.056% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 39.5:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.70 +/- 0.26  86.376% * 99.3093% (1.00  10.0 10.00   4.14  39.48) =  99.990%  kept
          HB    THR   77 - HB3   ASP-  44   9.67 +/- 1.96   5.121% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          HA    ILE  103 - HB3   ASP-  44  13.69 +/- 1.20   0.755% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB3   ASP-  44  13.13 +/- 1.81   1.119% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   ASP-  44   9.71 +/- 3.19   3.839% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   ASP-  44  14.14 +/- 2.35   1.055% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  17.55 +/- 1.87   0.436% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB3   ASP-  44  16.52 +/- 1.01   0.401% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  18.25 +/- 2.09   0.363% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.97 +/- 3.34   0.123% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  20.47 +/- 3.83   0.274% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  25.00 +/- 2.62   0.139% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.73, residual support = 39.5:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  97.295% * 99.4398% (1.00  10.0 10.00   2.73  39.48) =  99.998%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.30 +/- 1.18   1.183% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP-  44  10.77 +/- 2.07   0.566% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  14.25 +/- 1.44   0.212% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  17.93 +/- 3.61   0.132% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  18.00 +/- 3.48   0.114% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  11.95 +/- 1.51   0.373% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  24.38 +/- 2.83   0.042% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  18.96 +/- 1.78   0.084% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HB2   PHE   45 - HA    PHE   45   2.91 +/- 0.23  97.168% * 99.8680% (1.00  10.0 10.00   3.31  80.00) =  99.998%  kept
          HB2   CYS   21 - HA    PHE   45  13.04 +/- 4.03   2.030% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 111 - HA    PHE   45  15.18 +/- 2.11   0.802% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.0:
    * O T HB3   PHE   45 - HA    PHE   45   2.73 +/- 0.24  92.194% * 99.6736% (1.00  10.0 10.00   4.00  80.00) =  99.995%  kept
          QE    LYS+ 112 - HA    PHE   45  12.70 +/- 3.35   2.534% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - HA    PHE   45  11.03 +/- 0.80   1.567% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    PHE   45  12.46 +/- 1.90   1.198% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    PHE   45  12.70 +/- 3.16   1.979% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  20.90 +/- 3.31   0.260% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  19.90 +/- 2.23   0.267% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HA    PHE   45 - HB2   PHE   45   2.91 +/- 0.23  98.486% * 99.9145% (1.00  10.0 10.00   3.31  80.00) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.75 +/- 0.66   1.030% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  19.18 +/- 3.02   0.484% *  0.0249% (0.25   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 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  97.441% * 99.6736% (1.00  10.0 10.00   3.31  80.00) =  99.998%  kept
          QE    LYS+ 112 - HB2   PHE   45  11.43 +/- 3.23   0.839% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  107 - HB2   PHE   45   9.46 +/- 1.18   0.733% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HB2   PHE   45  12.05 +/- 2.13   0.381% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  13.12 +/- 3.47   0.491% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  22.52 +/- 3.15   0.053% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  21.02 +/- 2.23   0.062% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.0:
    * O T HA    PHE   45 - HB3   PHE   45   2.73 +/- 0.24  98.822% * 99.9145% (1.00  10.0 10.00   4.00  80.00) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  14.07 +/- 0.70   0.836% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   PHE   45  19.64 +/- 2.74   0.343% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.461% * 99.8680% (1.00  10.0 10.00   3.31  80.00) = 100.000%  kept
          QE    LYS+ 111 - HB3   PHE   45  13.73 +/- 2.27   0.294% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  14.95 +/- 3.59   0.245% *  0.0375% (0.38   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 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 = 2.94, residual support = 34.3:
    * O T HB    THR   46 - HA    THR   46   2.54 +/- 0.15  97.124% * 98.0423% (1.00  10.0 10.00   2.94  34.27) =  99.996%  kept
        T HB    THR   46 - HA    SER   37  25.97 +/- 2.04   0.105% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HA    THR   46  12.23 +/- 1.57   1.394% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  26.35 +/- 3.59   0.112% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    THR   46  18.64 +/- 2.97   0.441% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  18.81 +/- 5.60   0.440% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  22.62 +/- 4.25   0.235% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  28.03 +/- 2.49   0.080% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  31.02 +/- 4.80   0.069% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.3:
    * O T QG2   THR   46 - HA    THR   46   2.91 +/- 0.37  70.878% * 97.3989% (1.00  10.0 10.00   3.00  34.27) =  99.970%  kept
          QD1   ILE   19 - HA    SER   37  10.89 +/- 3.98   4.237% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   41 - HA    SER   37   8.14 +/- 0.85   4.701% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HA    SER   13   8.53 +/- 1.87   4.912% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    THR   46   9.54 +/- 1.24   2.685% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   37  21.24 +/- 1.45   0.220% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   13  21.38 +/- 3.16   0.225% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    THR   46  13.78 +/- 4.90   1.270% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HA    SER   37  11.69 +/- 1.70   1.759% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    SER   13  11.00 +/- 1.73   1.976% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    SER   37  15.69 +/- 3.24   0.704% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  14.50 +/- 1.46   0.738% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  16.91 +/- 2.16   0.436% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  15.17 +/- 0.72   0.550% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  17.15 +/- 2.03   0.378% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  15.75 +/- 2.74   0.642% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  17.44 +/- 4.67   1.791% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  18.86 +/- 2.15   0.324% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.88 +/- 0.64   0.942% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  20.51 +/- 3.35   0.289% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  18.43 +/- 2.24   0.341% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.94, residual support = 34.3:
    * O T HA    THR   46 - HB    THR   46   2.54 +/- 0.15  95.463% * 98.0777% (1.00  10.0 10.00   2.94  34.27) =  99.995%  kept
          HA    PRO   58 - HB    THR   46  12.17 +/- 3.75   2.677% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   37 - HB    THR   46  25.97 +/- 2.04   0.103% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   13 - HB    THR   46  26.35 +/- 3.59   0.110% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    THR   46  12.87 +/- 0.94   0.827% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  19.46 +/- 6.14   0.390% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  22.86 +/- 4.29   0.177% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.91 +/- 1.12   0.253% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.3:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  96.384% * 99.5878% (1.00  10.0 10.00   3.00  34.27) =  99.997%  kept
          QG1   VAL   43 - HB    THR   46   9.52 +/- 1.28   1.485% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB    THR   46  12.78 +/- 5.31   1.098% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    THR   46  16.06 +/- 2.88   0.290% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.76 +/- 0.86   0.315% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  17.19 +/- 1.90   0.229% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  18.02 +/- 2.59   0.199% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.3:
    * O T HA    THR   46 - QG2   THR   46   2.91 +/- 0.37  90.971% * 98.0777% (1.00  10.0 10.00   3.00  34.27) =  99.989%  kept
        T HA    SER   37 - QG2   THR   46  21.24 +/- 1.45   0.284% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HA    PRO   58 - QG2   THR   46  10.66 +/- 3.34   4.124% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.003%
        T HA    SER   13 - QG2   THR   46  21.38 +/- 3.16   0.289% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - QG2   THR   46  10.60 +/- 0.89   2.112% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   THR   46  15.77 +/- 5.42   1.050% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QG2   THR   46  18.50 +/- 3.85   0.493% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  15.54 +/- 0.97   0.677% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.3:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  97.743% * 99.8459% (1.00  10.0 10.00   3.00  34.27) =  99.998%  kept
          HA    LYS+ 112 - QG2   THR   46  11.31 +/- 2.32   1.818% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QG2   THR   46  15.41 +/- 2.89   0.439% *  0.0895% (0.90   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 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   2.14 +/- 0.02  97.799% * 99.0048% (0.95  10.0 10.00   2.00  10.83) =  99.994%  kept
        T QG1   VAL   42 - HA    ALA   47  12.38 +/- 1.18   0.566% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   64 - HA    ALA   47  11.99 +/- 2.27   1.129% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  14.88 +/- 2.95   0.505% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.93, support = 2.02, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.02  60.254% * 89.8343% (0.95  10.0 10.00   2.00  10.83) =  97.014%  kept
          HA    CYS   50 - QB    ALA   47   3.48 +/- 1.21  26.725% *  5.3929% (0.42   1.0  1.00   2.68   6.92) =   2.583%  kept
          HA    TRP   49 - QB    ALA   47   4.67 +/- 0.11   5.812% *  3.7896% (0.26   1.0  1.00   3.03  16.17) =   0.395%  kept
        T HA    ALA   47 - QG1   VAL   42  12.38 +/- 1.18   0.362% *  0.6881% (0.72   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  108 - QB    ALA   47  12.12 +/- 2.86   0.803% *  0.0881% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QG1   VAL   42  10.05 +/- 1.21   0.672% *  0.0674% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QG1   VAL   42  11.10 +/- 2.95   3.836% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    ALA   47  13.00 +/- 3.21   0.617% *  0.0369% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.05 +/- 1.48   0.307% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.72 +/- 1.66   0.274% *  0.0308% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  16.32 +/- 1.66   0.160% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  16.43 +/- 2.92   0.178% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.7, residual support = 9.16:
    * O T QB    SER   48 - HA    SER   48   2.28 +/- 0.09  80.109% * 96.0221% (1.00  10.0 10.00   1.70   9.17) =  99.961%  kept
        T QB    SER   85 - HB2   SER   82   5.29 +/- 0.44   7.071% *  0.2561% (0.27   1.0 10.00   0.02   2.90) =   0.024%
        T QB    SER   85 - HA    SER   48  14.83 +/- 3.00   0.552% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T QB    SER   48 - HB2   SER   82  14.74 +/- 3.00   0.528% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - HA    SER   48   8.88 +/- 1.28   1.930% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER  117 - HA    SER   48  20.80 +/- 2.44   0.134% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    SER   48  15.82 +/- 4.54   1.073% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    VAL   70  16.37 +/- 3.16   0.374% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    VAL   70  20.24 +/- 3.55   0.237% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  26.04 +/- 5.86   0.083% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   48  12.99 +/- 0.93   0.472% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    VAL   70  12.03 +/- 6.46   2.448% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  25.58 +/- 2.65   0.063% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  15.01 +/- 2.58   0.404% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70   9.99 +/- 0.95   1.079% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.14 +/- 3.78   0.730% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  23.91 +/- 2.00   0.074% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  15.70 +/- 4.32   0.444% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  15.64 +/- 4.69   0.423% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  24.58 +/- 3.50   0.085% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  26.10 +/- 3.12   0.063% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  17.07 +/- 1.28   0.203% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.05 +/- 2.80   0.092% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.56 +/- 1.97   0.869% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  23.56 +/- 3.97   0.144% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  23.09 +/- 2.98   0.101% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  30.27 +/- 4.35   0.041% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  30.84 +/- 3.68   0.037% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  30.74 +/- 6.36   0.042% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.60 +/- 3.31   0.096% *  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 = 4.11, residual support = 77.3:
    * O T HB2   TRP   49 - HA    TRP   49   2.45 +/- 0.14  85.866% * 50.9151% (1.00  10.0 10.00   4.20  85.57) =  89.734%  kept
        T HB2   TRP   49 - HA    CYS   50   5.18 +/- 0.43  10.414% * 47.9899% (0.94   1.0 10.00   3.35   4.82) =  10.258%  kept
        T HA2   GLY  109 - HA    CYS   50  16.88 +/- 3.70   0.456% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.004%
        T HA2   GLY  109 - HA    TRP   49  20.43 +/- 4.07   0.241% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   84 - HA    TRP   49  15.26 +/- 2.98   0.644% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HA    CYS   50  14.40 +/- 2.57   0.619% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HA    CYS   50  18.53 +/- 2.90   0.408% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  20.49 +/- 2.53   0.185% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  22.35 +/- 2.83   0.148% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  24.40 +/- 2.30   0.095% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  14.16 +/- 1.81   0.573% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.79 +/- 1.22   0.351% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 4.12, residual support = 77.8:
    * O T HB3   TRP   49 - HA    TRP   49   2.45 +/- 0.21  88.716% * 51.4295% (0.84  10.0 10.00   4.20  85.57) =  90.338%  kept
        T HB3   TRP   49 - HA    CYS   50   5.77 +/- 0.58  10.066% * 48.4748% (0.79   1.0 10.00   3.36   4.82) =   9.661%  kept
          HB3   PHE   59 - HA    CYS   50  12.52 +/- 1.79   0.808% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    TRP   49  16.43 +/- 1.78   0.410% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 4.11, residual support = 77.3:
    * O T HA    TRP   49 - HB2   TRP   49   2.45 +/- 0.14  85.139% * 51.0809% (1.00  10.0 10.00   4.20  85.57) =  89.706%  kept
        T HA    CYS   50 - HB2   TRP   49   5.18 +/- 0.43  10.323% * 48.3205% (0.95   1.0 10.00   3.35   4.82) =  10.289%  kept
        T HA1   GLY  109 - HB2   TRP   49  19.41 +/- 4.27   0.355% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   47 - HB2   TRP   49   7.08 +/- 0.33   3.711% *  0.0142% (0.28   1.0  1.00   0.02  16.17) =   0.001%
          HA    CYS   21 - HB2   TRP   49  23.06 +/- 3.88   0.148% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  19.18 +/- 3.53   0.275% *  0.0101% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  29.75 +/- 1.57   0.050% *  0.0330% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 85.6:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.874% * 99.9042% (0.84  10.0 10.00   3.12  85.57) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  16.64 +/- 1.45   0.126% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.831, support = 4.12, residual support = 77.8:
    * O T HA    TRP   49 - HB3   TRP   49   2.45 +/- 0.21  84.119% * 51.3085% (0.84  10.0 10.00   4.20  85.57) =  90.330%  kept
        T HA    CYS   50 - HB3   TRP   49   5.77 +/- 0.58   9.518% * 48.5358% (0.79   1.0 10.00   3.36   4.82) =   9.668%  kept
          HA    ALA   47 - HB3   TRP   49   6.49 +/- 0.38   5.344% *  0.0143% (0.23   1.0  1.00   0.02  16.17) =   0.002%
          HA1   GLY  109 - HB3   TRP   49  19.58 +/- 4.58   0.449% *  0.0495% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  22.68 +/- 3.98   0.196% *  0.0485% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  19.23 +/- 3.73   0.321% *  0.0102% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  29.45 +/- 1.76   0.054% *  0.0332% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 85.6:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.283% * 99.6151% (0.84  10.0 10.00   3.12  85.57) =  99.999%  kept
          HA    ALA   84 - HB3   TRP   49  14.66 +/- 2.91   0.342% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  19.89 +/- 4.58   0.143% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  23.09 +/- 2.78   0.056% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  24.81 +/- 2.40   0.040% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  16.33 +/- 1.62   0.136% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 1.94, residual support = 7.44:
    * O T QB    CYS   50 - HA    CYS   50   2.28 +/- 0.14  84.231% * 51.3514% (1.00  10.0 10.00   1.81   7.75) =  89.319%  kept
        T QB    CYS   50 - HA    TRP   49   4.66 +/- 0.30  10.683% * 48.4012% (0.94   1.0 10.00   3.05   4.82) =  10.678%  kept
          QE    LYS+  74 - HA    CYS   50  11.27 +/- 2.16   0.974% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    TRP   49  12.75 +/- 2.10   0.691% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    TRP   49  11.28 +/- 3.42   1.747% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    CYS   50  11.68 +/- 3.04   1.160% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  24.09 +/- 3.44   0.097% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  26.44 +/- 4.54   0.098% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  18.16 +/- 1.79   0.182% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.57 +/- 1.70   0.135% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 1.94, residual support = 7.43:
    * O T HA    CYS   50 - QB    CYS   50   2.28 +/- 0.14  82.245% * 50.1558% (1.00  10.0 10.00   1.81   7.75) =  89.021%  kept
        T HA    TRP   49 - QB    CYS   50   4.66 +/- 0.30  10.430% * 47.4454% (0.95   1.0 10.00   3.05   4.82) =  10.680%  kept
          HA    ALA   47 - QB    CYS   50   5.66 +/- 0.63   6.081% *  2.2690% (0.45   1.0  1.00   2.02   6.92) =   0.298%  kept
          HA1   GLY  109 - QB    CYS   50  15.51 +/- 3.35   0.429% *  0.0500% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  17.91 +/- 2.95   0.307% *  0.0402% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  14.76 +/- 2.96   0.429% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.74 +/- 1.49   0.078% *  0.0225% (0.45   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 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 222.7:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  84.855% * 99.8323% (1.00  10.0 10.00   7.05 222.76) =  99.993%  kept
          HA    ALA   91 - HD2   PRO   52   9.70 +/- 2.78  10.347% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HD2   PRO   52  13.41 +/- 2.72   3.086% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HD2   PRO   52  22.98 +/- 2.64   0.527% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  17.26 +/- 2.16   1.184% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 222.7:
    * O T HB2   PRO   52 - HD2   PRO   52   3.94 +/- 0.09  95.671% * 99.5699% (1.00  10.0 10.00   6.59 222.76) =  99.994%  kept
        T HG2   MET   96 - HD2   PRO   52  19.05 +/- 1.76   0.907% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  62 - HD2   PRO   52  14.43 +/- 2.81   3.422% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.38 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 = 6.63, residual support = 221.7:
    * O T HB3   PRO   52 - HD2   PRO   52   3.95 +/- 0.09  59.142% * 96.3037% (1.00  10.0 10.00   6.66 222.76) =  99.507%  kept
          HG2   ARG+  54 - HD2   PRO   52   7.05 +/- 0.76  11.691% *  1.9508% (0.38   1.0  1.00   1.08   1.93) =   0.398%  kept
        T HG    LEU  123 - HD2   PRO   52  21.53 +/- 4.93   4.595% *  0.9630% (1.00   1.0 10.00   0.02   0.02) =   0.077%
          HG2   PRO   93 - HD2   PRO   52   8.11 +/- 2.57  14.754% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.008%
        T QB    LYS+  81 - HD2   PRO   52  15.52 +/- 3.27   1.528% *  0.1486% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HD2   PRO   52  16.34 +/- 3.67   1.891% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HD2   PRO   52  12.35 +/- 3.61   3.878% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   PRO   52  26.35 +/- 2.47   0.236% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   52  22.75 +/- 2.01   0.338% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HD2   PRO   52  22.68 +/- 4.31   0.654% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  22.03 +/- 1.15   0.355% *  0.0736% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  21.37 +/- 1.82   0.413% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.93 +/- 1.20   0.276% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  24.76 +/- 1.26   0.249% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 222.8:
    * O T HG2   PRO   52 - HD2   PRO   52   2.30 +/- 0.00  95.896% * 99.6094% (1.00  10.0 10.00   6.45 222.76) =  99.997%  kept
          HG2   MET   92 - HD2   PRO   52   9.84 +/- 3.20   2.471% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD2   PRO   52  14.54 +/- 2.19   0.544% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  16.39 +/- 2.77   0.330% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  13.99 +/- 1.92   0.666% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  28.23 +/- 2.99   0.060% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.82 +/- 2.67   0.033% *  0.0644% (0.65   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 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 222.7:
    * O T HG3   PRO   52 - HD2   PRO   52   2.87 +/- 0.00  89.792% * 98.5427% (1.00  10.0 10.00   6.45 222.76) =  99.983%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.99 +/- 1.66   1.231% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.014%
          HB2   PRO   93 - HD2   PRO   52   8.04 +/- 2.47   8.183% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T QB    GLN   32 - HD2   PRO   52  26.62 +/- 2.18   0.123% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  23.85 +/- 4.08   0.292% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  29.25 +/- 3.31   0.096% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  36.06 +/- 3.52   0.050% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  22.20 +/- 3.11   0.233% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.22, residual support = 222.8:
    * O T HB2   PRO   52 - HA    PRO   52   2.54 +/- 0.21  98.801% * 99.5699% (1.00  10.0 10.00   5.22 222.76) =  99.999%  kept
        T HG2   MET   96 - HA    PRO   52  19.95 +/- 1.85   0.245% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  13.83 +/- 2.45   0.955% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 222.7:
    * O T HB3   PRO   52 - HA    PRO   52   2.50 +/- 0.21  76.910% * 99.2796% (1.00  10.0 10.00   6.18 222.76) =  99.988%  kept
          HG2   ARG+  54 - HA    PRO   52   5.86 +/- 1.25  15.134% *  0.0373% (0.38   1.0  1.00   0.02   1.93) =   0.007%
          HG2   PRO   93 - HA    PRO   52   8.26 +/- 3.29   4.465% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  123 - HA    PRO   52  20.14 +/- 4.87   0.995% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    PRO   52  18.29 +/- 3.16   0.281% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    PRO   52  16.32 +/- 3.31   0.690% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    PRO   52  22.58 +/- 4.49   0.300% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  14.77 +/- 4.05   0.638% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.57 +/- 1.96   0.096% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  22.80 +/- 1.34   0.106% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  21.08 +/- 1.97   0.146% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.56 +/- 1.32   0.084% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.18 +/- 3.19   0.077% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.31 +/- 1.39   0.077% *  0.0153% (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 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.7:
    * O T HG2   PRO   52 - HA    PRO   52   3.97 +/- 0.00  80.712% * 99.6094% (1.00  10.0 10.00   5.98 222.76) =  99.986%  kept
          HG2   MET   92 - HA    PRO   52  11.10 +/- 4.04  12.435% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.010%
          QG    GLU- 114 - HA    PRO   52  13.51 +/- 1.85   2.514% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HA    PRO   52  19.13 +/- 2.54   0.836% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PRO   52  12.44 +/- 1.38   3.112% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    PRO   52  29.93 +/- 3.43   0.243% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  34.56 +/- 3.66   0.149% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.24 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.6:
    * O T HG3   PRO   52 - HA    PRO   52   3.88 +/- 0.00  80.912% * 98.7160% (1.00  10.0 10.00   5.95 222.76) =  99.944%  kept
        T HG2   PRO   58 - HA    PRO   52  11.12 +/- 1.32   4.094% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.051%
          HB2   PRO   93 - HA    PRO   52   8.87 +/- 2.59  13.109% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PRO   68 - HA    PRO   52  23.91 +/- 4.44   0.851% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   52  30.26 +/- 3.86   0.204% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  37.29 +/- 4.00   0.104% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  24.03 +/- 3.12   0.440% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  27.50 +/- 3.03   0.287% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.63 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 222.7:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  87.821% * 99.4673% (1.00  10.0 10.00   7.05 222.76) =  99.992%  kept
          HA    SER   48 - HA    PRO   52  11.25 +/- 1.65   5.178% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   88 - HA    PRO   52  18.95 +/- 3.23   1.038% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    PRO   52  18.07 +/- 2.82   1.301% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    PRO   52  19.70 +/- 2.87   0.876% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  19.81 +/- 3.72   1.624% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  30.38 +/- 3.09   0.235% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  22.58 +/- 4.05   0.635% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.72 +/- 3.22   0.495% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  27.90 +/- 4.72   0.321% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.84 +/- 3.17   0.257% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.61 +/- 3.34   0.219% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.63 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 222.7:
    * O T HA    PRO   52 - HB2   PRO   52   2.54 +/- 0.21  89.662% * 99.4915% (1.00  10.0 10.00   5.22 222.76) =  99.996%  kept
          HA    LYS+ 111 - HB2   PRO   52  11.34 +/- 3.27   2.065% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB2   PRO   52  10.93 +/- 3.89   3.286% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - HG2   MET   96  19.95 +/- 1.85   0.222% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   MET   96   9.40 +/- 1.07   2.234% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  13.78 +/- 3.01   0.756% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  15.77 +/- 2.98   0.583% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.11 +/- 1.74   0.485% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  24.00 +/- 3.50   0.170% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.27 +/- 1.77   0.536% *  0.0090% (0.09   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 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 = 6.39, residual support = 221.9:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  71.265% * 96.7426% (1.00  10.0 10.00   6.41 222.76) =  99.621%  kept
          HG12  ILE  103 - HG2   MET   96   4.34 +/- 1.62  12.340% *  2.0905% (0.26   1.0  1.00   1.64   6.09) =   0.373%  kept
          HG2   PRO   93 - HB2   PRO   52   7.21 +/- 3.99   6.753% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HB2   PRO   52   7.90 +/- 1.15   1.103% *  0.0363% (0.38   1.0  1.00   0.02   1.93) =   0.001%
          HB    ILE  103 - HG2   MET   96   5.88 +/- 1.42   3.188% *  0.0117% (0.12   1.0  1.00   0.02   6.09) =   0.001%
          HB    VAL   41 - HG2   MET   96   7.49 +/- 1.59   1.639% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PRO   52  20.17 +/- 4.98   0.313% *  0.0967% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.04 +/- 1.77   0.061% *  0.2842% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  17.60 +/- 3.72   0.102% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.02 +/- 1.04   0.917% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  16.73 +/- 3.02   0.144% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  13.76 +/- 4.35   0.307% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  16.21 +/- 2.71   0.122% *  0.0438% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   8.68 +/- 1.46   0.798% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.53 +/- 2.87   0.039% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  22.21 +/- 2.19   0.038% *  0.0739% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  22.95 +/- 3.91   0.061% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.94 +/- 2.74   0.068% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  16.11 +/- 2.31   0.116% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  20.23 +/- 2.20   0.053% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.47 +/- 2.35   0.033% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  14.04 +/- 0.73   0.143% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.88 +/- 2.85   0.088% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  15.10 +/- 1.49   0.122% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.83 +/- 3.50   0.027% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.71 +/- 2.89   0.055% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  18.09 +/- 2.20   0.076% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.41 +/- 2.20   0.029% *  0.0149% (0.15   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 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 222.7:
    * O T HG2   PRO   52 - HB2   PRO   52   2.60 +/- 0.32  82.868% * 98.9450% (1.00  10.0 10.00   6.17 222.76) =  99.952%  kept
          HG2   MET   92 - HB2   PRO   52   9.81 +/- 4.57  11.281% *  0.3264% (0.65   1.0  1.00   0.10   0.02) =   0.045%
        T HG2   PRO   52 - HG2   MET   96  18.15 +/- 2.12   0.255% *  0.2907% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HB2   PRO   52  12.79 +/- 2.47   0.892% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HG2   MET   96  14.27 +/- 3.08   0.998% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  18.54 +/- 3.62   0.274% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.23 +/- 1.65   0.986% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.13 +/- 1.71   0.800% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  14.44 +/- 1.80   0.639% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.41 +/- 3.33   0.252% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.61 +/- 3.78   0.062% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  19.70 +/- 1.71   0.235% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  34.13 +/- 3.70   0.043% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  18.35 +/- 3.06   0.416% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.999, support = 6.14, residual support = 222.3:
    * O T HG3   PRO   52 - HB2   PRO   52   2.58 +/- 0.25  77.111% * 97.4222% (1.00  10.0 10.00   6.15 222.76) =  99.814%  kept
          HB2   PRO   93 - HB2   PRO   52   7.98 +/- 3.48  18.398% *  0.6822% (0.31   1.0  1.00   0.45   0.02) =   0.167%  kept
        T HG2   PRO   58 - HB2   PRO   52  11.72 +/- 1.72   1.316% *  0.9742% (1.00   1.0 10.00   0.02   0.02) =   0.017%
        T HG2   PRO   58 - HG2   MET   96  18.06 +/- 2.52   0.297% *  0.2862% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG2   MET   96  19.46 +/- 2.32   0.241% *  0.2862% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG2   MET   96  12.89 +/- 0.97   0.727% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  30.41 +/- 3.75   0.059% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  24.20 +/- 3.75   0.138% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.19 +/- 2.90   0.129% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  14.61 +/- 2.68   0.549% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  37.55 +/- 3.78   0.031% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.20 +/- 1.99   0.242% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.67 +/- 3.63   0.149% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  15.86 +/- 3.67   0.463% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.04 +/- 3.19   0.092% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  29.67 +/- 3.14   0.058% *  0.0281% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 222.7:
    * O T HD2   PRO   52 - HB2   PRO   52   3.94 +/- 0.09  73.044% * 99.0230% (1.00  10.0 10.00   6.59 222.76) =  99.986%  kept
          HA    SER   48 - HB2   PRO   52  11.30 +/- 1.61   3.801% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - HG2   MET   96  19.05 +/- 1.76   0.693% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   88 - HB2   PRO   52  17.78 +/- 3.69   1.122% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG2   MET   96  16.36 +/- 4.06   2.541% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  18.47 +/- 2.40   0.876% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HG2   MET   96  15.20 +/- 3.15   1.771% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PRO   52  18.72 +/- 3.47   0.904% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   MET   96  16.55 +/- 3.23   2.551% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PRO   52  19.67 +/- 4.00   1.696% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  15.83 +/- 3.58   1.773% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  29.84 +/- 3.33   0.191% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.76 +/- 4.10   0.501% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  16.48 +/- 4.36   1.657% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  18.86 +/- 1.71   0.745% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  22.72 +/- 4.20   0.485% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  28.18 +/- 4.56   0.243% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  17.22 +/- 4.65   1.304% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.67 +/- 3.15   1.285% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  22.37 +/- 4.37   0.515% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.58 +/- 2.52   0.959% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.41 +/- 3.39   0.203% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.23 +/- 1.70   0.964% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.18 +/- 3.57   0.177% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 6.18, residual support = 222.7:
    * O T HA    PRO   52 - HB3   PRO   52   2.50 +/- 0.21  90.805% * 99.6990% (1.00  10.0 10.00   6.18 222.76) =  99.997%  kept
          HA    LYS+ 111 - HB3   PRO   52  11.07 +/- 2.90   2.391% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   PRO   52  10.73 +/- 3.72   3.099% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - QB    LYS+  81  18.29 +/- 3.16   0.331% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  15.75 +/- 2.24   0.428% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.05 +/- 1.92   1.822% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  24.16 +/- 2.90   0.119% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  17.04 +/- 6.13   0.629% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  21.25 +/- 2.39   0.178% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  20.36 +/- 2.08   0.196% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 222.8:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.283% * 99.4073% (1.00  10.0 10.00   6.41 222.76) =  99.999%  kept
        T HG2   MET   96 - HB3   PRO   52  19.04 +/- 1.77   0.085% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  17.60 +/- 3.72   0.143% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  14.68 +/- 2.54   0.258% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  16.21 +/- 2.71   0.171% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  21.29 +/- 2.02   0.061% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 222.6:
    * O T HG2   PRO   52 - HB3   PRO   52   2.66 +/- 0.32  76.199% * 99.1334% (1.00  10.0 10.00   6.21 222.76) =  99.931%  kept
          HG2   MET   92 - HB3   PRO   52   9.45 +/- 4.53  13.385% *  0.3679% (0.65   1.0  1.00   0.11   0.02) =   0.065%
          QG    GLU- 114 - HB3   PRO   52  12.69 +/- 1.84   1.062% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - QB    LYS+  81  15.81 +/- 3.69   0.640% *  0.1137% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    LYS+  81   7.09 +/- 0.76   4.986% *  0.0091% (0.09   1.0  1.00   0.02   1.32) =   0.001%
          HB2   GLU-  79 - HB3   PRO   52  18.68 +/- 3.28   0.357% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.44 +/- 1.50   0.780% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  12.49 +/- 2.07   1.190% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  18.28 +/- 7.99   0.774% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.62 +/- 3.27   0.078% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.40 +/- 3.31   0.047% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.17 +/- 2.75   0.163% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  19.92 +/- 2.23   0.243% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  27.08 +/- 3.49   0.096% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.996, support = 6.15, residual support = 221.6:
    * O T HG3   PRO   52 - HB3   PRO   52   2.53 +/- 0.25  86.823% * 91.3966% (1.00  10.0 10.00   6.18 222.76) =  99.460%  kept
        T HB2   PRO   93 - HB3   PRO   52   8.14 +/- 2.61   5.825% *  7.2016% (0.31   1.0 10.00   0.51   0.02) =   0.526%  kept
        T HG2   PRO   58 - HB3   PRO   52  11.98 +/- 1.58   1.092% *  0.9140% (1.00   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   PRO   52 - QB    LYS+  81  16.31 +/- 3.93   0.535% *  0.1048% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - QB    LYS+  81  22.89 +/- 2.73   0.147% *  0.1048% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  24.79 +/- 3.86   0.205% *  0.0343% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  13.30 +/- 8.31   3.837% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  30.70 +/- 3.73   0.059% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  37.80 +/- 3.59   0.030% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.77 +/- 1.87   0.591% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.67 +/- 3.12   0.125% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.18 +/- 2.71   0.082% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  25.33 +/- 4.14   0.109% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  29.91 +/- 5.46   0.089% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  19.92 +/- 5.27   0.297% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  24.34 +/- 3.50   0.155% *  0.0039% (0.04   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 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 6.65, residual support = 222.1:
    * O T HD2   PRO   52 - HB3   PRO   52   3.95 +/- 0.09  39.605% * 97.2471% (1.00  10.0 10.00   6.66 222.76) =  99.657%  kept
          HB2   SER   82 - QB    LYS+  81   5.44 +/- 0.50  16.579% *  0.7479% (0.04   1.0  1.00   3.93  19.92) =   0.321%  kept
          HA    SER   48 - HB3   PRO   52  11.36 +/- 1.60   2.229% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - QB    LYS+  81   5.20 +/- 0.63  19.862% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   PRO   52 - QB    LYS+  81  15.52 +/- 3.27   0.936% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HB3   PRO   52  30.02 +/- 2.69   0.101% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - QB    LYS+  81  11.51 +/- 3.50  10.854% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   PRO   52  17.52 +/- 3.67   0.678% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - QB    LYS+  81   8.63 +/- 0.50   3.952% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  22.69 +/- 5.21   0.310% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PRO   52  29.55 +/- 2.82   0.107% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB3   PRO   52  18.60 +/- 3.41   0.531% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB3   PRO   52  18.88 +/- 2.59   0.452% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   PRO   52  19.88 +/- 4.24   1.226% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB3   PRO   52  31.42 +/- 3.03   0.091% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  20.89 +/- 6.25   0.467% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  22.79 +/- 3.94   0.280% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  23.00 +/- 4.05   0.260% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  28.52 +/- 4.67   0.135% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  24.24 +/- 4.55   0.228% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  19.48 +/- 3.29   0.462% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  21.53 +/- 5.84   0.371% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  27.10 +/- 4.43   0.152% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.29 +/- 2.52   0.131% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.50 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.7:
    * O T HA    PRO   52 - HG2   PRO   52   3.97 +/- 0.00  76.588% * 99.8323% (1.00  10.0 10.00   5.98 222.76) =  99.989%  kept
          HA    ALA   91 - HG2   PRO   52   9.19 +/- 3.48  16.911% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HA    LYS+ 111 - HG2   PRO   52  11.98 +/- 2.83   4.553% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL  107 - HG2   PRO   52  15.83 +/- 2.44   1.466% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  22.98 +/- 3.02   0.482% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 222.8:
    * O T HB2   PRO   52 - HG2   PRO   52   2.60 +/- 0.32  98.700% * 99.5699% (1.00  10.0 10.00   6.17 222.76) =  99.998%  kept
        T HG2   MET   96 - HG2   PRO   52  18.15 +/- 2.12   0.306% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG2   PRO   52  14.55 +/- 2.66   0.994% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 222.7:
    * O T HB3   PRO   52 - HG2   PRO   52   2.66 +/- 0.32  70.418% * 99.2796% (1.00  10.0 10.00   6.21 222.76) =  99.983%  kept
          HG2   PRO   93 - HG2   PRO   52   6.95 +/- 3.07  20.306% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.009%
          HG    LEU  123 - HG2   PRO   52  20.87 +/- 5.17   2.572% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HG2   PRO   52   8.34 +/- 0.76   2.557% *  0.0373% (0.38   1.0  1.00   0.02   1.93) =   0.001%
        T QB    LYS+  81 - HG2   PRO   52  15.81 +/- 3.69   0.590% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG2   PRO   52  12.04 +/- 4.00   2.119% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   52  16.73 +/- 3.18   0.390% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.80 +/- 2.34   0.172% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  21.57 +/- 1.70   0.164% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  22.98 +/- 3.84   0.150% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.21 +/- 1.78   0.196% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  22.85 +/- 1.71   0.138% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.17 +/- 2.92   0.107% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  23.88 +/- 1.72   0.119% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 222.7:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  93.677% * 98.7160% (1.00  10.0 10.00   5.97 222.76) =  99.995%  kept
        T HG2   PRO   58 - HG2   PRO   52  12.69 +/- 1.79   0.324% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HG2   PRO   52   7.26 +/- 2.88   5.824% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HG2   PRO   52  29.64 +/- 3.51   0.022% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  24.16 +/- 3.53   0.054% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  36.65 +/- 3.46   0.011% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  22.31 +/- 3.47   0.056% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.32 +/- 2.54   0.031% *  0.0195% (0.20   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 222.8:
    * O T HD2   PRO   52 - HG2   PRO   52   2.30 +/- 0.00  95.899% * 99.4673% (1.00  10.0 10.00   6.45 222.76) =  99.997%  kept
          HA    SER   48 - HG2   PRO   52   9.31 +/- 1.53   2.022% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG2   PRO   52  16.25 +/- 3.25   0.398% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  17.14 +/- 3.17   0.311% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  17.97 +/- 2.67   0.260% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  20.42 +/- 4.06   0.581% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.96 +/- 3.92   0.171% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.13 +/- 2.62   0.051% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  22.17 +/- 4.20   0.137% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  27.86 +/- 4.62   0.068% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.50 +/- 2.74   0.056% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  30.49 +/- 2.86   0.046% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.6:
    * O T HA    PRO   52 - HG3   PRO   52   3.88 +/- 0.00  68.442% * 98.8988% (1.00  10.0 10.00   5.95 222.76) =  99.944%  kept
        T HA    PRO   52 - HG2   PRO   58  11.12 +/- 1.32   3.419% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.040%
          HA    ALA   91 - HG3   PRO   52   9.66 +/- 4.01  15.905% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HA    LYS+ 111 - HG3   PRO   52  12.71 +/- 3.03   3.291% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG2   PRO   58  11.85 +/- 2.83   3.942% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HG2   PRO   58  14.00 +/- 2.90   2.168% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   58  21.76 +/- 3.83   0.717% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  16.95 +/- 2.63   0.994% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  18.36 +/- 2.63   0.783% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  24.26 +/- 3.10   0.338% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.14 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 222.7:
    * O T HB2   PRO   52 - HG3   PRO   52   2.58 +/- 0.25  88.777% * 98.4337% (1.00  10.0 10.00   6.15 222.76) =  99.979%  kept
        T HB2   PRO   52 - HG2   PRO   58  11.72 +/- 1.72   1.493% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.014%
          HB2   ASP-  62 - HG2   PRO   58   6.39 +/- 1.00   8.531% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   MET   96 - HG3   PRO   52  19.46 +/- 2.32   0.282% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG2   PRO   58  18.06 +/- 2.52   0.341% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  15.90 +/- 2.58   0.575% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 6.18, residual support = 222.6:
    * O T HB3   PRO   52 - HG3   PRO   52   2.53 +/- 0.25  75.407% * 97.4419% (1.00  10.0 10.00   6.18 222.76) =  99.950%  kept
        T HG2   PRO   93 - HG3   PRO   52   8.07 +/- 3.17   5.898% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.024%
        T HB3   PRO   52 - HG2   PRO   58  11.98 +/- 1.58   0.948% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   PRO   93 - HG2   PRO   58  11.70 +/- 2.65   1.227% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HG2   PRO   58  11.04 +/- 3.37   2.752% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  123 - HG3   PRO   52  22.05 +/- 5.29   1.781% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG3   PRO   52   8.85 +/- 0.91   2.407% *  0.0366% (0.38   1.0  1.00   0.02   1.93) =   0.001%
        T QB    LYS+  81 - HG3   PRO   52  16.31 +/- 3.93   0.465% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  11.49 +/- 2.58   1.170% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.33 +/- 1.71   1.742% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG3   PRO   52  12.08 +/- 4.69   2.064% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG2   PRO   58  15.92 +/- 4.32   1.161% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  17.85 +/- 3.46   0.545% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.89 +/- 2.73   0.127% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  20.90 +/- 3.19   0.197% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  18.62 +/- 1.82   0.230% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  16.77 +/- 2.41   0.355% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  24.27 +/- 4.18   0.211% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  23.09 +/- 2.47   0.105% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.01 +/- 1.74   0.103% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  21.70 +/- 3.44   0.194% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.50 +/- 1.88   0.137% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.31 +/- 3.82   0.225% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  24.07 +/- 1.95   0.091% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  22.09 +/- 2.80   0.139% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.15 +/- 3.38   0.172% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.37 +/- 3.00   0.067% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.00 +/- 1.92   0.081% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.96, support = 5.9, residual support = 219.4:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  69.967% * 86.8129% (1.00  10.0 10.00   5.97 222.76) =  95.472%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.50 +/- 0.30  26.530% * 10.8440% (0.12  10.0 10.00   4.27 147.85) =   4.522%  kept
        T HG2   PRO   52 - HG2   PRO   58  12.69 +/- 1.79   0.243% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HG2   MET   92 - HG3   PRO   52   9.19 +/- 4.39   2.126% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HG2   PRO   58  10.75 +/- 1.91   0.457% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.04 +/- 1.73   0.145% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  29.50 +/- 4.27   0.027% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  14.12 +/- 2.29   0.194% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  17.75 +/- 3.70   0.101% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.87 +/- 3.14   0.010% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  16.83 +/- 2.77   0.110% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.86 +/- 2.98   0.042% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.84 +/- 4.91   0.030% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.39 +/- 3.60   0.017% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 222.7:
    * O T HD2   PRO   52 - HG3   PRO   52   2.87 +/- 0.00  85.948% * 96.1754% (1.00  10.0 10.00   6.45 222.76) =  99.979%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.99 +/- 1.66   1.178% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.011%
          HA    SER   48 - HG3   PRO   52  10.06 +/- 1.46   2.688% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG2   PRO   58  26.49 +/- 3.80   0.174% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   PRO   52  30.42 +/- 2.86   0.079% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   PRO   58  16.83 +/- 3.63   1.256% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   PRO   52  16.56 +/- 3.84   0.714% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   PRO   58  10.95 +/- 2.48   2.981% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  13.36 +/- 1.31   0.924% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  26.72 +/- 4.21   0.179% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  17.51 +/- 3.62   0.549% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  27.14 +/- 4.01   0.208% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  29.73 +/- 2.93   0.086% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  19.34 +/- 2.81   0.371% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  21.58 +/- 4.79   0.382% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  21.59 +/- 4.20   0.655% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  17.77 +/- 3.63   0.573% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  24.55 +/- 2.31   0.151% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.82 +/- 2.99   0.071% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  21.68 +/- 4.23   0.281% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  24.42 +/- 2.12   0.151% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  23.50 +/- 4.12   0.194% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  29.19 +/- 4.53   0.099% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.37 +/- 2.90   0.111% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 2.96, residual support = 44.2:
    * O T HB2   CYS   53 - HA    CYS   53   2.94 +/- 0.15  68.907% * 89.5559% (1.00  10.0 10.00   2.96  44.08) =  98.802%  kept
          HD3   PRO   52 - HA    CYS   53   6.21 +/- 0.06   7.314% * 10.0743% (0.69   1.0  1.00   3.28  55.11) =   1.180%  kept
          HD2   PRO   58 - HA    CYS   53   7.08 +/- 2.26  22.979% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.017%
        T HB3   SER   82 - HA    CYS   53  21.33 +/- 2.95   0.209% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    CYS   53  24.14 +/- 3.06   0.182% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  19.00 +/- 2.79   0.300% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.25 +/- 2.36   0.109% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.34, residual support = 43.4:
    * O T HB3   CYS   53 - HA    CYS   53   2.58 +/- 0.19  68.802% * 78.9954% (1.00  10.0 10.00   3.36  44.08) =  97.708%  kept
          QB    PHE   55 - HA    CYS   53   4.58 +/- 0.64  15.230% *  4.0722% (0.87   1.0  1.00   1.19   0.02) =   1.115%  kept
          HD2   ARG+  54 - HA    CYS   53   7.70 +/- 0.81   3.617% * 16.0018% (0.99   1.0  1.00   4.09  31.61) =   1.041%  kept
          HD3   PRO   93 - HA    CYS   53   7.06 +/- 2.80   9.135% *  0.8098% (0.95   1.0  1.00   0.22   0.02) =   0.133%  kept
          HB2   PHE   59 - HA    CYS   53   8.56 +/- 1.41   2.941% *  0.0479% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   68 - HA    CYS   53  18.12 +/- 2.59   0.275% *  0.0729% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.1:
    * O T HA    CYS   53 - HB2   CYS   53   2.94 +/- 0.15  98.058% * 98.9901% (1.00  10.0 10.00   2.96  44.08) =  99.997%  kept
        T HA    GLU-  25 - HB2   CYS   53  24.57 +/- 2.70   0.205% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HB2   CYS   53  20.07 +/- 2.64   0.382% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYS   53  20.37 +/- 3.07   0.374% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.11 +/- 1.97   0.773% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  24.67 +/- 2.95   0.208% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 44.0:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  92.520% * 81.9885% (1.00  10.0 10.00   3.44  44.08) =  99.624%  kept
          HD2   ARG+  54 - HB2   CYS   53   7.21 +/- 0.78   1.589% * 17.7374% (0.99   1.0  1.00   4.37  31.61) =   0.370%  kept
          HD3   PRO   93 - HB2   CYS   53   7.80 +/- 2.44   3.065% *  0.0776% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          QB    PHE   55 - HB2   CYS   53   6.33 +/- 0.44   2.057% *  0.0711% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   CYS   53  10.20 +/- 1.52   0.610% *  0.0497% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  18.12 +/- 3.44   0.159% *  0.0757% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.36, residual support = 44.1:
    * O T HA    CYS   53 - HB3   CYS   53   2.58 +/- 0.19  98.647% * 99.7562% (1.00  10.0 10.00   3.36  44.08) =  99.999%  kept
          HA    ILE   19 - HB3   CYS   53  20.24 +/- 3.05   0.252% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.45 +/- 1.92   0.562% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  24.37 +/- 2.57   0.139% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  24.49 +/- 2.85   0.141% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  19.82 +/- 2.76   0.259% *  0.0175% (0.18   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 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 44.1:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  93.124% * 85.4215% (1.00  10.0 10.00   3.44  44.08) =  99.519%  kept
          HD3   PRO   52 - HB3   CYS   53   6.14 +/- 0.73   2.475% * 12.7982% (0.69   1.0  1.00   4.36  55.11) =   0.396%  kept
          HD2   PRO   58 - HB3   CYS   53   8.51 +/- 2.68   4.147% *  1.6247% (0.53   1.0  1.00   0.72   0.02) =   0.084%
          HA    VAL   83 - HB3   CYS   53  18.15 +/- 2.54   0.101% *  0.0383% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.82 +/- 2.87   0.049% *  0.0653% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  20.16 +/- 2.74   0.073% *  0.0169% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.33 +/- 2.53   0.030% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 168.4:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.82 +/- 0.17  69.839% * 98.6035% (1.00  10.0 10.00   5.72 168.40) =  99.978%  kept
          HB2   PRO   93 - HA    ARG+  54   9.08 +/- 2.46   8.157% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.010%
          HB    ILE  119 - HA    LEU  115   6.06 +/- 1.42  11.780% *  0.0263% (0.27   1.0  1.00   0.02   8.05) =   0.005%
        T HB2   ARG+  54 - HA    LEU  115  14.78 +/- 1.27   0.517% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HA    LEU  115   9.67 +/- 1.95   3.102% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    ARG+  54  13.78 +/- 2.10   0.803% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   9.72 +/- 2.09   2.201% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ARG+  54  18.31 +/- 2.12   0.288% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  22.70 +/- 4.42   0.316% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  23.30 +/- 4.97   0.354% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  26.76 +/- 4.60   0.125% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  19.66 +/- 3.84   0.710% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  19.58 +/- 4.34   0.488% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  33.58 +/- 5.16   0.055% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  20.84 +/- 3.83   0.382% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  29.02 +/- 4.28   0.080% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  26.00 +/- 4.24   0.122% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  21.09 +/- 2.50   0.186% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.60 +/- 2.52   0.442% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  33.58 +/- 4.47   0.050% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.995, support = 5.64, residual support = 167.0:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.74 +/- 0.61  64.910% * 87.0900% (1.00  10.0 10.00   5.69 168.40) =  99.188%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.68 +/- 0.29   4.060% *  8.7029% (0.38   1.0 10.00   0.53   1.93) =   0.620%  kept
          HB    ILE   56 - HA    ARG+  54   6.60 +/- 0.82   8.270% *  1.0615% (0.41   1.0  1.00   0.59   0.02) =   0.154%  kept
        T HG3   PRO   68 - HA    ARG+  54  18.75 +/- 4.76   1.025% *  0.8632% (0.99   1.0 10.00   0.02   0.02) =   0.016%
        T QB    LYS+  81 - HA    ARG+  54  18.68 +/- 2.81   0.449% *  0.7554% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   ARG+  54 - HA    LEU  115  15.17 +/- 1.42   0.666% *  0.2680% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HA    LEU  115  17.48 +/- 3.09   0.508% *  0.2656% (0.30   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   52 - HA    LEU  115  13.67 +/- 1.85   1.096% *  0.1006% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  115   9.39 +/- 2.38   3.142% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  115   8.96 +/- 2.18   3.231% *  0.0224% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LEU  115   7.78 +/- 0.96   4.766% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ARG+  54  19.94 +/- 3.37   0.568% *  0.0869% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    LEU  115  21.34 +/- 1.67   0.211% *  0.2325% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ARG+  54  17.47 +/- 1.99   0.464% *  0.0727% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ARG+  54  17.17 +/- 2.71   0.409% *  0.0804% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ARG+  54  24.89 +/- 3.89   0.276% *  0.0840% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  17.87 +/- 3.73   0.543% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.08 +/- 2.06   0.619% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  23.84 +/- 2.87   0.187% *  0.0869% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.64 +/- 1.86   1.478% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  21.17 +/- 3.44   0.450% *  0.0259% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.65 +/- 4.51   0.665% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  19.98 +/- 1.53   0.242% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  28.60 +/- 4.63   0.155% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.60 +/- 3.22   0.229% *  0.0153% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.67 +/- 2.19   0.739% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  19.62 +/- 3.55   0.472% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  22.06 +/- 2.09   0.171% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.13 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.985, support = 5.36, residual support = 144.6:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.91 +/- 0.74  35.459% * 72.3093% (1.00 10.00   5.59 168.40) =  83.939%  kept
          HB3   CYS   53 - HA    ARG+  54   5.08 +/- 0.57  18.855% * 14.8560% (0.99  1.00   4.15  31.61) =   9.170%  kept
          QB    PHE   55 - HA    ARG+  54   5.09 +/- 0.09  16.968% * 12.3558% (0.80  1.00   4.27   4.51) =   6.863%  kept
          HB2   PHE   59 - HA    ARG+  54   9.22 +/- 1.74   5.080% *  0.0380% (0.53  1.00   0.02   0.02) =   0.006%
          HD3   PRO   93 - HA    ARG+  54  10.32 +/- 2.77   2.920% *  0.0648% (0.90  1.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - HA    LEU  115   6.24 +/- 1.00  11.926% *  0.0117% (0.16  1.00   0.02  28.43) =   0.005%
        T HD2   ARG+  54 - HA    LEU  115  15.91 +/- 1.19   0.560% *  0.2225% (0.31 10.00   0.02   0.02) =   0.004%
          HD3   PRO   68 - HA    ARG+  54  17.62 +/- 4.26   1.033% *  0.0627% (0.87  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - HA    LEU  115  12.49 +/- 1.88   1.901% *  0.0221% (0.30  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    LEU  115  11.92 +/- 1.83   2.041% *  0.0200% (0.28  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115  10.75 +/- 1.50   2.109% *  0.0178% (0.25  1.00   0.02   1.50) =   0.001%
          HD3   PRO   68 - HA    LEU  115  16.05 +/- 3.04   1.148% *  0.0193% (0.27  1.00   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 168.4:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.82 +/- 0.17  90.876% * 98.5625% (1.00  10.0 10.00   5.72 168.40) =  99.994%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.78 +/- 1.27   0.674% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ARG+  54 - HB2   GLU-  14  26.76 +/- 4.60   0.162% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.67 +/- 2.78   0.353% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  25.02 +/- 4.00   0.219% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  16.12 +/- 4.25   1.708% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  26.00 +/- 4.24   0.158% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  25.85 +/- 3.83   0.163% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.99 +/- 4.56   1.213% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  16.75 +/- 5.62   0.978% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.25 +/- 1.09   0.416% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  33.58 +/- 5.16   0.072% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  27.70 +/- 3.92   0.115% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  20.84 +/- 5.40   0.656% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  33.58 +/- 4.47   0.065% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  33.57 +/- 4.47   0.064% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  25.64 +/- 5.48   0.188% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.20 +/- 3.91   0.088% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.32 +/- 5.87   0.440% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  31.99 +/- 6.44   0.199% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.44 +/- 4.41   0.429% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  27.93 +/- 4.45   0.117% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.87 +/- 3.87   0.227% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  33.43 +/- 5.58   0.078% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  29.43 +/- 5.51   0.161% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  27.60 +/- 4.88   0.129% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  37.06 +/- 5.30   0.051% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.92, residual support = 160.1:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.74 +/- 0.53  67.637% * 74.0062% (1.00  10.0 10.00   5.00 168.40) =  94.602%  kept
          QB    PHE   55 - HB2   ARG+  54   4.59 +/- 0.64  16.809% * 10.4515% (0.80   1.0  1.00   3.53   4.51) =   3.320%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.37 +/- 0.62   7.833% * 13.6572% (0.99   1.0  1.00   3.72  31.61) =   2.022%  kept
        T HD3   PRO   93 - HB2   ARG+  54  10.71 +/- 2.80   2.538% *  0.6637% (0.90   1.0 10.00   0.02   0.02) =   0.032%
        T HD3   PRO   68 - HB2   ARG+  54  19.18 +/- 5.14   1.761% *  0.6420% (0.87   1.0 10.00   0.02   0.02) =   0.021%
          HB2   PHE   59 - HB2   ARG+  54  11.18 +/- 1.47   1.851% *  0.0389% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB2   GLU-  14  16.87 +/- 4.78   0.464% *  0.0944% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   GLU-  14  28.66 +/- 5.75   0.113% *  0.1088% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  23.66 +/- 5.50   0.168% *  0.0621% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  29.10 +/- 3.05   0.083% *  0.0976% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  35.37 +/- 6.25   0.052% *  0.0716% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  36.18 +/- 2.78   0.039% *  0.0642% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  26.25 +/- 3.26   0.127% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  26.24 +/- 4.14   0.135% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  23.79 +/- 3.32   0.186% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  33.15 +/- 3.63   0.057% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  32.70 +/- 4.28   0.065% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  31.26 +/- 4.07   0.081% *  0.0038% (0.05   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 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 168.4:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.91 +/- 0.74  93.282% * 99.0328% (1.00 10.00   5.59 168.40) =  99.986%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.91 +/- 1.19   1.752% *  0.6007% (0.61 10.00   0.02   0.02) =   0.011%
          HA    LYS+  81 - HD2   ARG+  54  20.75 +/- 3.30   1.201% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HD2   ARG+  54  25.09 +/- 4.03   0.712% *  0.0971% (0.98  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HD2   ARG+  54  26.35 +/- 4.35   0.810% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HD2   ARG+  54  28.11 +/- 4.50   0.508% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.40 +/- 1.50   1.056% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  33.86 +/- 5.18   0.324% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.00 +/- 4.26   0.356% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.0, residual support = 168.3:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.74 +/- 0.53  90.710% * 97.9068% (1.00  10.0 10.00   5.00 168.40) =  99.948%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.66 +/- 2.84   4.940% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.047%
        T HG3   GLN   30 - HD2   ARG+  54  25.54 +/- 5.45   0.417% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HD2   ARG+  54  16.12 +/- 1.74   0.739% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD2   ARG+  54  21.08 +/- 6.40   2.187% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HD2   ARG+  54  20.73 +/- 2.57   0.299% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.00 +/- 4.78   0.337% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  28.66 +/- 5.75   0.153% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  35.37 +/- 6.25   0.071% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  31.53 +/- 4.64   0.148% *  0.0784% (0.80   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 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.995, support = 4.8, residual support = 167.0:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.87 +/- 0.17  83.387% * 88.9182% (1.00  10.0 10.00   4.84 168.40) =  99.166%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.70 +/- 1.33   6.616% *  8.8856% (0.38   1.0 10.00   0.53   1.93) =   0.786%  kept
        T HG3   PRO   68 - HD2   ARG+  54  20.21 +/- 6.69   3.382% *  0.8813% (0.99   1.0 10.00   0.02   0.02) =   0.040%
        T QB    LYS+  81 - HD2   ARG+  54  19.86 +/- 3.39   0.421% *  0.7713% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HD2   ARG+  54   9.20 +/- 1.28   3.937% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HD2   ARG+  54  18.33 +/- 3.82   0.536% *  0.0821% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD2   ARG+  54  19.80 +/- 2.09   0.305% *  0.0743% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  22.65 +/- 3.23   0.239% *  0.0887% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  19.86 +/- 3.84   0.409% *  0.0334% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.87 +/- 4.25   0.136% *  0.0858% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  26.51 +/- 2.76   0.126% *  0.0887% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  30.80 +/- 5.67   0.146% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  24.97 +/- 4.82   0.212% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  25.26 +/- 3.19   0.151% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 3.73, residual support = 20.6:
    * O T QB    PHE   55 - HA    PHE   55   2.40 +/- 0.13  82.236% * 87.5219% (1.00  10.0 10.00   3.74  20.82) =  98.572%  kept
          HD2   ARG+  54 - HA    PHE   55   5.43 +/- 0.80   8.751% * 11.8517% (0.80   1.0  1.00   3.38   4.51) =   1.420%  kept
          HB3   CYS   53 - HA    PHE   55   7.93 +/- 0.36   2.361% *  0.0759% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PHE   55   9.02 +/- 1.04   1.800% *  0.0785% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   55  11.23 +/- 3.61   1.554% *  0.0858% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QB    PHE   55 - HA    VAL   42  16.45 +/- 1.12   0.276% *  0.2060% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   55  18.93 +/- 3.18   0.252% *  0.0867% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.27 +/- 2.81   1.065% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.06 +/- 1.61   0.807% *  0.0185% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.49 +/- 1.13   0.330% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.57 +/- 1.92   0.369% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  20.00 +/- 3.29   0.198% *  0.0165% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 20.8:
    * O T HA    PHE   55 - QB    PHE   55   2.40 +/- 0.13  87.628% * 97.6242% (1.00  10.0 10.00   3.74  20.82) =  99.764%  kept
          HA    ALA  110 - QB    PHE   55   9.96 +/- 4.33  11.565% *  1.7307% (0.87   1.0  1.00   0.41   0.62) =   0.233%  kept
        T HA    VAL   42 - QB    PHE   55  16.45 +/- 1.12   0.294% *  0.5527% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    PHE   55  15.47 +/- 3.17   0.513% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 0.993, support = 4.33, residual support = 122.6:
    * O T HB    ILE   56 - HA    ILE   56   2.44 +/- 0.18  87.537% * 84.2697% (1.00  10.0 10.00   4.38 124.21) =  98.681%  kept
        T HB3   PRO   58 - HA    ILE   56   6.49 +/- 1.34   6.489% * 15.1601% (0.49   1.0 10.00   0.74   0.02) =   1.316%  kept
          HG2   ARG+  54 - HA    ILE   56   7.86 +/- 0.77   3.020% *  0.0346% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    ILE   56  13.47 +/- 3.08   0.866% *  0.0579% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  14.85 +/- 1.31   0.444% *  0.0644% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  18.91 +/- 2.93   0.256% *  0.0545% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  16.38 +/- 2.25   0.363% *  0.0378% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.09 +/- 3.74   0.185% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.76 +/- 2.92   0.177% *  0.0612% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  18.21 +/- 2.68   0.311% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.98 +/- 3.52   0.142% *  0.0477% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.65 +/- 2.49   0.074% *  0.0813% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.38 +/- 1.32   0.136% *  0.0316% (0.38   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 124.2:
    * O   QG2   ILE   56 - HA    ILE   56   2.80 +/- 0.37  93.679% * 98.4757% (1.00  10.0  1.00   4.74 124.21) =  99.995%  kept
          QB    ALA   91 - HA    ILE   56  12.97 +/- 2.60   1.830% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HA    ILE   56  27.24 +/- 2.92   0.124% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   56  14.99 +/- 4.00   2.409% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   56  22.80 +/- 3.03   0.211% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE   56  19.18 +/- 2.28   0.366% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.49 +/- 4.05   0.389% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.66 +/- 1.45   0.323% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  20.98 +/- 3.31   0.327% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.74 +/- 2.91   0.341% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 124.2:
    * O T QG1   ILE   56 - HA    ILE   56   2.98 +/- 0.44  92.470% * 97.9351% (1.00  10.0 10.00   3.88 124.21) =  99.987%  kept
        T HB3   LYS+  99 - HA    ILE   56  21.91 +/- 2.79   0.369% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 106 - HA    ILE   56  16.16 +/- 1.64   0.672% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - HA    ILE   56  19.89 +/- 2.95   0.555% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   73 - HA    ILE   56  17.61 +/- 5.19   3.387% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    ILE   56  12.56 +/- 2.90   2.007% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  17.65 +/- 2.94   0.540% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.10 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.37, residual support = 124.1:
    * O T HA    ILE   56 - HB    ILE   56   2.44 +/- 0.18  91.120% * 96.5756% (1.00  10.0 10.00   4.38 124.21) =  99.872%  kept
        T HA    PRO   58 - HB    ILE   56   7.23 +/- 1.05   4.950% *  2.1397% (0.28   1.0 10.00   0.16   0.02) =   0.120%  kept
        T HA    LEU  123 - HB    ILE   56  15.59 +/- 3.16   0.527% *  0.9466% (0.98   1.0 10.00   0.02   0.02) =   0.006%
          HA    ASP- 113 - HB    ILE   56   8.74 +/- 1.71   2.718% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB    ILE   56  20.63 +/- 2.66   0.178% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  25.50 +/- 3.19   0.093% *  0.0964% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  19.34 +/- 2.52   0.215% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  24.28 +/- 4.37   0.123% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.66 +/- 5.24   0.076% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 124.2:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  96.205% * 98.4757% (1.00  10.0 10.00   5.52 124.21) =  99.998%  kept
          QB    ALA   91 - HB    ILE   56  12.16 +/- 2.67   0.807% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HB    ILE   56  26.21 +/- 3.00   0.061% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    ILE   56  14.42 +/- 3.96   1.888% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  21.51 +/- 3.28   0.124% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.26 +/- 2.66   0.214% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.99 +/- 4.09   0.228% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.92 +/- 1.93   0.150% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  20.53 +/- 3.72   0.166% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  19.94 +/- 3.29   0.157% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.61, residual support = 124.2:
    * O T QG1   ILE   56 - HB    ILE   56   2.27 +/- 0.14  94.167% * 98.7886% (1.00  10.0 10.00   4.61 124.21) =  99.995%  kept
        T QD    LYS+ 106 - HB    ILE   56  14.71 +/- 1.61   0.416% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HB    ILE   56  18.79 +/- 3.01   0.231% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    ILE   56  16.69 +/- 5.57   3.358% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB    ILE   56  11.25 +/- 2.94   1.280% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  16.15 +/- 3.13   0.386% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  20.56 +/- 2.93   0.161% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 124.2:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  87.947% * 98.4311% (1.00  10.0 10.00   5.52 124.21) =  99.992%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.66 +/- 1.22   3.885% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - QG2   ILE   56   7.05 +/- 0.85   2.929% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   ILE   56   9.37 +/- 2.71   2.073% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LYS+  38 - QG2   ILE   56  21.41 +/- 2.23   0.097% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  11.04 +/- 1.42   0.712% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG2   ILE   56  13.96 +/- 2.57   0.428% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  12.64 +/- 1.78   0.548% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  17.41 +/- 2.84   0.273% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.68 +/- 2.77   0.291% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.07 +/- 2.41   0.443% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.20 +/- 2.55   0.175% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.32 +/- 0.95   0.198% *  0.0369% (0.38   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 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 = 124.2:
    * O T QG1   ILE   56 - QG2   ILE   56   2.27 +/- 0.20  86.725% * 98.7886% (1.00  10.0 10.00   4.86 124.21) =  99.989%  kept
        T QD    LYS+ 106 - QG2   ILE   56  12.17 +/- 1.71   0.697% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU   73 - QG2   ILE   56  13.48 +/- 4.55   8.344% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - QG2   ILE   56  15.79 +/- 2.36   0.386% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QG2   ILE   56   8.65 +/- 2.51   2.889% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QG2   ILE   56  12.73 +/- 2.50   0.700% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QG2   ILE   56  17.21 +/- 2.14   0.259% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 3.87, residual support = 123.4:
    * O T HA    ILE   56 - QG1   ILE   56   2.98 +/- 0.44  71.158% * 95.8796% (1.00  10.0 10.00   3.88 124.21) =  99.330%  kept
          HA    PRO   58 - QG1   ILE   56   5.72 +/- 0.91  17.543% *  2.3163% (0.28   1.0  1.00   1.74   0.02) =   0.592%  kept
        T HA    ASP- 113 - QG1   ILE   56   7.84 +/- 1.72   7.500% *  0.6202% (0.65   1.0 10.00   0.02   0.02) =   0.068%
        T HA    LYS+  99 - QG1   ILE   56  17.09 +/- 2.29   0.592% *  0.9070% (0.95   1.0 10.00   0.02   0.02) =   0.008%
          HA    LEU  123 - QG1   ILE   56  13.12 +/- 2.11   1.527% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QG1   ILE   56  21.33 +/- 2.72   0.312% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  15.86 +/- 2.19   0.750% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  20.50 +/- 3.62   0.352% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.44 +/- 4.39   0.265% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.6, residual support = 123.8:
    * O T HB    ILE   56 - QG1   ILE   56   2.27 +/- 0.14  87.191% * 93.5273% (1.00  10.0 10.00   4.61 124.21) =  99.636%  kept
          HB3   PRO   58 - QG1   ILE   56   6.27 +/- 1.05   5.550% *  5.1965% (0.49   1.0  1.00   2.28   0.02) =   0.352%  kept
        T QB    LYS+ 106 - QG1   ILE   56  11.32 +/- 1.44   0.861% *  0.7148% (0.76   1.0 10.00   0.02   0.02) =   0.008%
          HG2   ARG+  54 - QG1   ILE   56   8.00 +/- 1.23   2.352% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QG1   ILE   56  11.12 +/- 2.65   1.228% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG1   ILE   56  12.38 +/- 2.09   0.801% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  17.59 +/- 3.48   0.417% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  16.20 +/- 2.54   0.315% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.43 +/- 2.30   0.237% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  14.87 +/- 2.17   0.435% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.53 +/- 3.17   0.261% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  21.42 +/- 2.46   0.118% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.62 +/- 1.24   0.234% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 124.2:
    * O T QG2   ILE   56 - QG1   ILE   56   2.27 +/- 0.20  88.604% * 98.4757% (1.00  10.0 10.00   4.86 124.21) =  99.994%  kept
          HG2   LYS+  74 - QG1   ILE   56  11.77 +/- 3.62   7.553% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - QG1   ILE   56  21.96 +/- 2.76   0.148% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   91 - QG1   ILE   56  11.05 +/- 2.27   1.245% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QG1   ILE   56  17.88 +/- 2.86   0.302% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QG1   ILE   56  15.15 +/- 2.20   0.521% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QG1   ILE   56  17.14 +/- 3.54   0.470% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.75 +/- 1.60   0.331% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  17.20 +/- 3.00   0.419% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.36 +/- 3.02   0.406% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.927, support = 6.55, residual support = 143.8:
    * O T HA    PRO   58 - HD2   PRO   58   3.86 +/- 0.09  38.352% * 97.5591% (0.95  10.0 10.00   6.69 147.85) =  97.246%  kept
          HA    ILE   56 - HD2   PRO   58   3.50 +/- 1.37  55.179% *  1.9142% (0.26   1.0  1.00   1.41   0.02) =   2.745%  kept
          HA    LEU  123 - HD2   PRO   58  14.36 +/- 3.59   2.712% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   46 - HD2   PRO   58  12.08 +/- 3.35   1.578% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HD2   PRO   58  20.22 +/- 2.67   0.411% *  0.0942% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  23.42 +/- 3.95   0.287% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   58  19.29 +/- 4.58   0.542% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HD2   PRO   58  27.61 +/- 5.00   0.195% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  27.48 +/- 3.21   0.165% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.00 +/- 3.49   0.357% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  26.10 +/- 3.54   0.221% *  0.0243% (0.24   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 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 6.91, residual support = 147.8:
    * O T HB2   PRO   58 - HD2   PRO   58   3.97 +/- 0.21  77.387% * 99.1290% (0.95  10.0 10.00   6.91 147.85) =  99.942%  kept
          HB2   GLN  116 - HD2   PRO   58   8.88 +/- 2.39  12.882% *  0.3117% (0.54   1.0  1.00   0.11   0.02) =   0.052%
        T HB2   GLU- 100 - HD2   PRO   58  26.32 +/- 3.83   0.374% *  0.4444% (0.42   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HD2   PRO   58  16.61 +/- 3.57   1.966% *  0.0720% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   52 - HD2   PRO   58  10.97 +/- 2.05   6.988% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  28.15 +/- 4.82   0.402% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.85, residual support = 142.5:
    * O T HB3   PRO   58 - HD2   PRO   58   3.77 +/- 0.25  51.617% * 92.5208% (0.79  10.0 10.00   7.07 147.85) =  96.376%  kept
          HB    ILE   56 - HD2   PRO   58   4.70 +/- 1.66  35.584% *  5.0120% (0.79   1.0  1.00   1.08   0.02) =   3.599%  kept
        T HB3   GLN   30 - HD2   PRO   58  21.53 +/- 3.94   0.607% *  1.1077% (0.95   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   LYS+  38 - HD2   PRO   58  26.12 +/- 3.16   0.174% *  1.0478% (0.89   1.0 10.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HD2   PRO   58  15.63 +/- 3.27   1.404% *  0.1069% (0.91   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HD2   PRO   58   8.54 +/- 1.88   7.426% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD2   PRO   58  15.98 +/- 2.07   0.708% *  0.0455% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD2   PRO   58  23.30 +/- 4.01   0.693% *  0.0276% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  16.87 +/- 3.46   0.872% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.75 +/- 3.42   0.368% *  0.0416% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  20.79 +/- 3.56   0.438% *  0.0342% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  32.68 +/- 5.38   0.108% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.6, residual support = 147.8:
    * O T HG2   PRO   58 - HD2   PRO   58   2.70 +/- 0.29  93.720% * 98.7160% (0.95  10.0 10.00   6.60 147.85) =  99.977%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.99 +/- 1.84   1.977% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.021%
          HB2   PRO   93 - HD2   PRO   58  10.49 +/- 2.84   3.122% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HD2   PRO   58  25.54 +/- 3.91   0.150% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  18.94 +/- 1.64   0.320% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  32.69 +/- 4.60   0.076% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  24.24 +/- 4.00   0.312% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  22.71 +/- 4.67   0.323% *  0.0152% (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 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.8:
    * O T HB2   PRO   58 - HA    PRO   58   2.60 +/- 0.20  95.096% * 99.2784% (1.00  10.0 10.00   6.26 147.85) =  99.986%  kept
        T HB2   GLN  116 - HA    PRO   58  10.41 +/- 2.27   2.132% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.013%
          HB3   PHE   97 - HA    PRO   58  16.10 +/- 4.02   1.170% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    PRO   58  13.35 +/- 2.11   1.218% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  24.75 +/- 4.49   0.212% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  26.96 +/- 4.82   0.172% *  0.0276% (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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 147.8:
    * O T HB3   PRO   58 - HA    PRO   58   2.43 +/- 0.20  90.494% * 98.4544% (0.84  10.0 10.00   6.22 147.85) =  99.952%  kept
        T HB    ILE   56 - HA    PRO   58   7.23 +/- 1.05   4.137% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.046%
          HB3   GLN   30 - HA    PRO   58  19.76 +/- 4.14   0.556% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    PRO   58  17.54 +/- 2.76   0.375% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    PRO   58  10.36 +/- 1.57   2.211% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.50 +/- 4.17   0.709% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  16.45 +/- 2.40   0.343% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  23.97 +/- 3.63   0.131% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.54 +/- 4.02   0.642% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  22.14 +/- 3.22   0.177% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  22.49 +/- 3.31   0.153% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  30.00 +/- 5.19   0.071% *  0.0206% (0.18   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 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.8:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  88.126% * 98.7160% (1.00  10.0 10.00   5.98 147.85) =  99.968%  kept
        T HG3   PRO   52 - HA    PRO   58  14.51 +/- 1.84   2.525% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.029%
          HB2   PRO   93 - HA    PRO   58  12.11 +/- 2.78   4.661% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    PRO   58  23.00 +/- 3.93   0.603% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  16.48 +/- 1.45   1.319% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLN   32 - HA    PRO   58  22.76 +/- 4.23   1.365% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  30.02 +/- 4.43   0.265% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  21.83 +/- 4.70   1.136% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.09 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 147.8:
    * O T HD2   PRO   58 - HA    PRO   58   3.86 +/- 0.09  88.458% * 98.5403% (0.95  10.0 10.00   6.69 147.85) =  99.986%  kept
        T HA    GLU- 100 - HA    PRO   58  24.11 +/- 4.27   0.619% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.007%
          HB2   CYS   53 - HA    PRO   58  10.26 +/- 2.34   9.803% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HA    PRO   58  23.20 +/- 3.75   0.698% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    PRO   58  24.07 +/- 3.04   0.421% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.8:
    * O T HA    PRO   58 - HB2   PRO   58   2.60 +/- 0.20  86.755% * 99.4356% (1.00  10.0 10.00   6.26 147.85) =  99.994%  kept
          HA    ILE   56 - HB2   PRO   58   6.30 +/- 1.24   8.111% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HB2   PRO   58  12.44 +/- 3.49   2.055% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   PRO   58  13.95 +/- 2.96   1.017% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   PRO   58  19.08 +/- 3.40   0.467% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   PRO   58  17.95 +/- 4.71   0.439% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  21.98 +/- 3.98   0.212% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  26.26 +/- 5.04   0.140% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  26.12 +/- 3.75   0.157% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  20.99 +/- 4.72   0.465% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  25.08 +/- 3.85   0.182% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.51, residual support = 147.8:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  95.653% * 98.9371% (0.84  10.0 10.00   4.51 147.85) =  99.997%  kept
          HB    ILE   56 - HB2   PRO   58   7.10 +/- 1.51   2.207% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HB2   PRO   58  23.17 +/- 2.75   0.050% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  21.12 +/- 3.92   0.134% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  11.04 +/- 1.89   0.748% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.77 +/- 2.32   0.117% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.21 +/- 4.98   0.613% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.25 +/- 3.22   0.179% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.61 +/- 4.05   0.180% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  24.77 +/- 3.52   0.046% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  23.11 +/- 2.80   0.050% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  31.36 +/- 5.29   0.024% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 147.8:
    * O T HG2   PRO   58 - HB2   PRO   58   2.50 +/- 0.30  97.086% * 98.7160% (1.00  10.0 10.00   4.27 147.85) =  99.991%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.04 +/- 1.73   0.751% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.008%
          HB2   PRO   93 - HB2   PRO   58  12.59 +/- 2.23   1.033% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  24.26 +/- 4.03   0.166% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.31 +/- 1.69   0.332% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  31.35 +/- 4.56   0.069% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  23.15 +/- 4.81   0.348% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  23.84 +/- 4.04   0.214% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.91, residual support = 147.8:
    * O T HD2   PRO   58 - HB2   PRO   58   3.97 +/- 0.21  88.260% * 98.5403% (0.95  10.0 10.00   6.91 147.85) =  99.984%  kept
        T HA    GLU- 100 - HB2   PRO   58  24.74 +/- 4.80   0.750% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.009%
          HB2   CYS   53 - HB2   PRO   58  11.06 +/- 2.31   9.903% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HB2   PRO   58  24.07 +/- 3.64   0.673% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   PRO   58  24.91 +/- 2.80   0.414% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.831, support = 6.18, residual support = 146.7:
    * O T HA    PRO   58 - HB3   PRO   58   2.43 +/- 0.20  89.075% * 90.2398% (0.84  10.0 10.00   6.22 147.85) =  99.234%  kept
        T HA    ILE   56 - HB3   PRO   58   6.49 +/- 1.34   6.668% *  9.2731% (0.23   1.0 10.00   0.74   0.02) =   0.763%  kept
          HA    LEU  123 - HB3   PRO   58  12.51 +/- 3.69   1.856% *  0.0339% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  14.40 +/- 3.30   0.933% *  0.0547% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   PRO   58  19.54 +/- 3.30   0.276% *  0.0871% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  18.02 +/- 4.77   0.412% *  0.0475% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  22.09 +/- 4.15   0.175% *  0.0900% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  26.31 +/- 5.31   0.116% *  0.0900% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  26.39 +/- 3.80   0.108% *  0.0475% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  21.52 +/- 4.39   0.252% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  25.38 +/- 4.09   0.130% *  0.0225% (0.21   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 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.51, residual support = 147.8:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  97.762% * 99.1367% (0.84  10.0 10.00   4.51 147.85) =  99.997%  kept
        T HB3   PHE   97 - HB3   PRO   58  16.74 +/- 4.38   0.322% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN  116 - HB3   PRO   58   9.41 +/- 2.79   1.500% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HB3   PRO   58  14.18 +/- 2.03   0.302% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  25.67 +/- 4.87   0.058% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  28.54 +/- 5.37   0.057% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.23, residual support = 147.8:
    * O T HG2   PRO   58 - HB3   PRO   58   2.76 +/- 0.30  96.132% * 97.0168% (0.84  10.0 10.00   4.23 147.85) =  99.988%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.27 +/- 1.82   0.825% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   GLU-  14 - HB3   PRO   58  24.37 +/- 4.28   0.191% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HB3   PRO   58  31.38 +/- 4.91   0.099% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HB3   PRO   58  13.11 +/- 2.45   1.312% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.65 +/- 1.72   0.419% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  24.00 +/- 4.48   0.453% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  23.42 +/- 5.18   0.570% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.32 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.06, residual support = 147.8:
    * O T HD2   PRO   58 - HB3   PRO   58   3.77 +/- 0.25  86.999% * 98.5403% (0.79  10.0 10.00   7.07 147.85) =  99.987%  kept
        T HA    GLU- 100 - HB3   PRO   58  25.20 +/- 4.54   0.489% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.006%
          HB2   CYS   53 - HB3   PRO   58  11.26 +/- 2.56  11.707% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  38 - HB3   PRO   58  24.41 +/- 3.80   0.475% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   PRO   58  25.49 +/- 2.99   0.330% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 5.96, residual support = 147.3:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  38.968% * 97.9061% (1.00  10.0 10.00   5.98 147.85) =  99.632%  kept
          HA    ILE   56 - HG2   PRO   58   4.45 +/- 1.73  38.464% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.324%  kept
        T HA    PRO   58 - HG3   PRO   52  14.51 +/- 1.84   0.982% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.020%
          HA    THR   46 - HG3   PRO   52   8.80 +/- 2.19   6.851% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.009%
          HA    LEU  123 - HG2   PRO   58  12.75 +/- 3.19   3.023% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HG3   PRO   52  23.47 +/- 5.31   3.451% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HG3   PRO   52  10.01 +/- 1.44   3.556% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - HG2   PRO   58  13.39 +/- 2.68   1.256% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HG2   PRO   58  19.67 +/- 2.87   0.524% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  19.16 +/- 4.66   0.620% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  23.15 +/- 4.02   0.327% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   PRO   58  27.53 +/- 4.99   0.196% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  25.61 +/- 2.14   0.168% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  27.04 +/- 3.25   0.189% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  29.66 +/- 3.65   0.113% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  21.38 +/- 3.94   0.504% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  25.79 +/- 4.59   0.182% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  33.40 +/- 3.73   0.080% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  25.76 +/- 3.37   0.230% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.25 +/- 2.54   0.074% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.12 +/- 2.58   0.094% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.67 +/- 2.44   0.147% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.783, support = 4.69, residual support = 166.4:
    * O T HB2   PRO   58 - HG2   PRO   58   2.50 +/- 0.30  26.678% * 87.8577% (1.00  10.0 10.00   4.27 147.85) =  75.216%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  70.350% * 10.9746% (0.12  10.0 10.00   5.97 222.76) =  24.776%  kept
        T HB2   PRO   58 - HG3   PRO   52  15.04 +/- 1.73   0.146% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN  116 - HG2   PRO   58   7.51 +/- 2.17   1.906% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   52 - HG2   PRO   58  12.69 +/- 1.79   0.244% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG2   PRO   58  15.85 +/- 4.26   0.271% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HG3   PRO   52  15.63 +/- 2.83   0.264% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.86 +/- 2.72   0.047% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  25.64 +/- 4.28   0.033% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.84 +/- 4.91   0.030% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.90 +/- 2.20   0.013% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.39 +/- 3.60   0.017% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.22, residual support = 147.4:
    * O T HB3   PRO   58 - HG2   PRO   58   2.76 +/- 0.30  57.810% * 96.3467% (0.84  10.0 10.00   4.23 147.85) =  99.700%  kept
          HB    ILE   56 - HG2   PRO   58   5.37 +/- 1.84  19.250% *  0.7677% (0.84   1.0  1.00   0.16   0.02) =   0.265%  kept
          HB2   MET   92 - HG3   PRO   52   9.30 +/- 4.46  10.265% *  0.0901% (0.78   1.0  1.00   0.02   0.02) =   0.017%
        T HB3   PRO   58 - HG3   PRO   52  15.27 +/- 1.82   0.505% *  0.7800% (0.68   1.0 10.00   0.02   0.02) =   0.007%
        T QB    LYS+  81 - HG3   PRO   52  16.31 +/- 3.93   0.489% *  0.3505% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HG3   PRO   52  10.10 +/- 1.44   1.546% *  0.0780% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HG3   PRO   52  12.08 +/- 4.69   2.880% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   PRO   58  22.89 +/- 2.73   0.124% *  0.4329% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  16.54 +/- 2.48   0.366% *  0.1113% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.85 +/- 0.91   2.171% *  0.0144% (0.12   1.0  1.00   0.02   1.93) =   0.001%
          HB3   GLN   30 - HG2   PRO   58  21.75 +/- 3.81   0.262% *  0.1153% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.33 +/- 1.71   1.413% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.58 +/- 2.78   0.490% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  15.92 +/- 4.32   1.101% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  17.16 +/- 2.84   0.311% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.74 +/- 5.35   0.052% *  0.2020% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  25.53 +/- 3.06   0.096% *  0.1091% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.31 +/- 3.82   0.331% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  25.25 +/- 3.03   0.097% *  0.0934% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  22.09 +/- 2.80   0.154% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  37.94 +/- 4.09   0.026% *  0.1635% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.98 +/- 2.64   0.043% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.50 +/- 1.88   0.142% *  0.0164% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.37 +/- 3.00   0.076% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.23 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 = 6.59, residual support = 147.4:
    * O T HD2   PRO   58 - HG2   PRO   58   2.70 +/- 0.29  87.156% * 92.8748% (0.95  10.0 10.00   6.60 147.85) =  99.515%  kept
          HB2   CYS   53 - HG3   PRO   52   6.69 +/- 0.44   6.373% *  5.9402% (0.28   1.0  1.00   4.38  55.11) =   0.465%  kept
        T HD2   PRO   58 - HG3   PRO   52  11.99 +/- 1.84   1.832% *  0.7519% (0.77   1.0 10.00   0.02   0.02) =   0.017%
          HB2   CYS   53 - HG2   PRO   58  10.30 +/- 2.01   3.515% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG3   PRO   52  19.21 +/- 4.14   0.474% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  25.22 +/- 4.03   0.180% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  24.44 +/- 3.10   0.162% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  30.07 +/- 2.66   0.071% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  24.80 +/- 3.17   0.169% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  30.79 +/- 2.52   0.069% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.29, residual support = 58.3:
    * O T HB2   PHE   59 - HA    PHE   59   2.63 +/- 0.21  92.917% * 99.6348% (1.00  10.0 10.00   3.29  58.35) =  99.994%  kept
          QB    PHE   55 - HA    PHE   59   9.95 +/- 0.68   1.897% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    PHE   59  11.93 +/- 2.25   1.325% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HA    PHE   59  10.90 +/- 1.62   1.665% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    PHE   59  13.90 +/- 2.09   1.028% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  12.80 +/- 1.84   1.168% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.4:
    * O T HB3   PHE   59 - HA    PHE   59   3.00 +/- 0.08  99.551% * 99.9552% (1.00  10.0 10.00   3.98  58.35) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  19.15 +/- 2.12   0.449% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 58.4:
    * O T HA    PHE   59 - HB2   PHE   59   2.63 +/- 0.21  91.570% * 99.8386% (1.00  10.0 10.00   3.29  58.35) =  99.995%  kept
          HA    ASP- 113 - HB2   PHE   59   8.38 +/- 2.24   7.618% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          HA    TRP   87 - HB2   PHE   59  21.93 +/- 2.37   0.189% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.13 +/- 3.10   0.443% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  22.80 +/- 2.56   0.180% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.4:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.899% * 99.9552% (1.00  10.0 10.00   3.44  58.35) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.24 +/- 1.92   0.101% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.00 +/- 0.08  90.699% * 99.8386% (1.00  10.0 10.00   3.98  58.35) =  99.994%  kept
          HA    ASP- 113 - HB3   PHE   59   8.88 +/- 1.86   8.183% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          HA    TRP   87 - HB3   PHE   59  20.96 +/- 2.39   0.298% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  17.82 +/- 2.72   0.564% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  22.46 +/- 2.41   0.255% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.4:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  96.384% * 99.6348% (1.00  10.0 10.00   3.44  58.35) =  99.997%  kept
          QB    PHE   55 - HB3   PHE   59   7.93 +/- 0.87   1.181% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB3   PHE   59   8.91 +/- 1.26   0.972% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HB3   PHE   59  11.39 +/- 2.24   0.674% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HB3   PHE   59  11.21 +/- 1.81   0.512% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.28 +/- 1.98   0.277% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.69 +/- 0.23  99.597% * 99.9010% (1.00  10.0 10.00   4.00  72.40) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  19.09 +/- 3.39   0.403% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.77 +/- 0.27  94.664% * 99.7797% (1.00  10.0 10.00   4.00  72.40) =  99.997%  kept
          HB2   PHE   97 - HA    PHE   60  12.41 +/- 2.53   2.116% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    PHE   60  14.88 +/- 3.62   2.131% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    PHE   60  15.07 +/- 2.47   0.848% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    PHE   60  21.79 +/- 2.49   0.242% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.69 +/- 0.23  91.365% * 99.8400% (1.00  10.0 10.00   4.00  72.40) =  99.997%  kept
          QB    SER  117 - HB2   PHE   60  12.59 +/- 1.77   1.373% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   PHE   60  13.22 +/- 3.91   3.500% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   PHE   60  11.62 +/- 2.99   2.029% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.37 +/- 1.39   1.122% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.50 +/- 1.68   0.612% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  98.279% * 99.7797% (1.00  10.0 10.00   4.00  72.40) =  99.999%  kept
          HB3   TRP   27 - HB2   PHE   60  15.49 +/- 4.01   1.092% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HB2   PHE   60  13.55 +/- 2.72   0.382% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  15.66 +/- 2.27   0.177% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  22.82 +/- 3.31   0.071% *  0.0249% (0.25   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 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   2.77 +/- 0.27  90.312% * 99.8400% (1.00  10.0 10.00   4.00  72.40) =  99.997%  kept
          QB    SER   48 - HB3   PHE   60  13.41 +/- 3.92   4.531% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB3   PHE   60  12.93 +/- 1.29   1.066% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   PHE   60  11.95 +/- 2.95   2.318% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   PHE   60  12.53 +/- 1.41   1.213% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.69 +/- 1.30   0.560% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.907% * 99.9010% (1.00  10.0 10.00   4.00  72.40) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  19.41 +/- 3.08   0.093% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  83.122% * 98.4786% (1.00  10.0 10.00   2.21  17.89) =  99.987%  kept
        T QB    ALA  110 - HA    ALA   61  14.70 +/- 2.08   0.319% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   73 - HA    ALA   61  10.89 +/- 2.25   3.931% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - HA    ALA   61   8.30 +/- 1.08   1.714% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - HA    ALA   61   9.06 +/- 1.24   1.336% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    ALA   61   9.01 +/- 3.26   3.800% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    ALA   61  12.28 +/- 4.52   4.024% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    ALA   61  13.56 +/- 2.18   0.402% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  18.07 +/- 3.90   0.203% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.08 +/- 0.79   0.632% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  17.37 +/- 3.69   0.215% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.45 +/- 1.56   0.199% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.13 +/- 3.37   0.101% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.02  90.130% * 98.9510% (1.00  10.0 10.00   2.21  17.89) =  99.993%  kept
        T HA    ALA   61 - QB    ALA  110  14.70 +/- 2.08   0.345% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - QB    ALA   61   6.34 +/- 1.12   4.622% *  0.0444% (0.45   1.0  1.00   0.02   0.89) =   0.002%
          HD2   PRO   68 - QB    ALA   61   9.82 +/- 1.19   1.103% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA  110  11.14 +/- 3.07   1.388% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QB    ALA   61  10.01 +/- 1.79   1.227% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.95 +/- 2.81   0.162% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  14.58 +/- 2.29   0.411% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  20.56 +/- 3.53   0.350% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  15.58 +/- 1.85   0.263% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.81 +/- 0.21  99.252% * 99.9434% (1.00  10.0 10.00   3.00  41.00) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  15.68 +/- 2.22   0.748% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.79 +/- 0.23  97.970% * 99.7306% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
          HG3   MET   96 - HA    ASP-  62  16.13 +/- 4.00   1.471% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    ASP-  62  23.54 +/- 3.02   0.198% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  24.96 +/- 2.75   0.160% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  23.41 +/- 2.78   0.203% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.81 +/- 0.21  98.201% * 99.8236% (1.00  10.0 10.00   3.00  41.00) =  99.999%  kept
          HA    SER  117 - HB2   ASP-  62  12.51 +/- 1.04   1.241% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB2   ASP-  62  21.06 +/- 3.11   0.415% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  25.44 +/- 2.20   0.143% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00  99.617% * 99.7306% (0.98  10.0 10.00   3.00  41.00) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  15.94 +/- 3.46   0.251% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  23.72 +/- 2.92   0.047% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  24.46 +/- 3.22   0.052% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  25.96 +/- 2.44   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   2.79 +/- 0.23  98.112% * 99.8236% (0.98  10.0 10.00   3.00  41.00) =  99.999%  kept
          HA    SER  117 - HB3   ASP-  62  13.04 +/- 1.29   1.266% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB3   ASP-  62  20.91 +/- 3.13   0.469% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  25.12 +/- 2.44   0.153% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00  99.691% * 99.4370% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
        T HB2   PRO   52 - HB3   ASP-  62  14.27 +/- 2.70   0.309% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 241.4:
    * O T HB2   LEU   63 - HA    LEU   63   2.79 +/- 0.18  85.324% * 99.1997% (1.00  10.0 10.00   6.28 241.45) =  99.986%  kept
          HB3   ASP-  44 - HA    LEU   63   8.68 +/- 2.90   5.885% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PRO   93 - HA    LEU   63  12.60 +/- 3.07   3.349% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  124 - HA    LEU   63  13.93 +/- 3.34   1.188% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    LEU   63  17.38 +/- 2.82   0.862% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  15.90 +/- 3.39   0.643% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LEU   63  18.18 +/- 2.66   0.473% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  19.91 +/- 3.09   0.291% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  17.45 +/- 3.08   0.456% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  17.66 +/- 1.93   0.366% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  19.65 +/- 2.57   0.304% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  16.65 +/- 3.81   0.618% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  20.73 +/- 2.76   0.241% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.4:
    * O T HB3   LEU   63 - HA    LEU   63   2.58 +/- 0.25  77.373% * 99.7424% (1.00  10.0 10.00   5.98 241.45) =  99.985%  kept
          QG1   VAL   70 - HA    LEU   63   5.72 +/- 1.33  11.712% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.009%
          QD1   LEU  123 - HA    LEU   63   8.80 +/- 2.99   6.089% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HA    LEU   63   9.93 +/- 3.64   2.910% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HA    LEU   63  11.25 +/- 1.83   1.382% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    LEU   63  16.09 +/- 2.80   0.534% *  0.0645% (0.65   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 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.4:
    * O T HG    LEU   63 - HA    LEU   63   3.03 +/- 0.69  91.096% * 99.8120% (1.00  10.0 10.00   5.98 241.45) =  99.994%  kept
          QG2   VAL   24 - HA    LEU   63  16.49 +/- 3.76   3.284% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HA    LEU   63  13.18 +/- 1.71   1.978% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  107 - HA    LEU   63  10.64 +/- 2.41   3.642% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.55 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 = 0.759, support = 5.69, residual support = 241.3:
        T QD2   LEU   63 - HA    LEU   63   2.72 +/- 0.61  64.196% * 35.7505% (0.57 10.00   5.77 241.45) =  55.509%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.77 +/- 0.21  29.098% * 63.1462% (1.00 10.00   5.61 241.45) =  44.441%  kept
        T QD1   LEU   73 - HA    LEU   63  11.53 +/- 1.71   2.682% *  0.6315% (1.00 10.00   0.02   0.14) =   0.041%
        T QD1   LEU  104 - HA    LEU   63  13.55 +/- 2.57   0.688% *  0.3575% (0.57 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HA    LEU   63   8.42 +/- 1.36   2.602% *  0.0527% (0.84  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HA    LEU   63  16.59 +/- 2.15   0.358% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  16.74 +/- 2.69   0.376% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.10 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.911, support = 5.73, residual support = 241.4:
    *   T QD2   LEU   63 - HA    LEU   63   2.72 +/- 0.61  63.274% * 63.5438% (1.00 10.00   5.77 241.45) =  79.561%  kept
        T QD1   LEU   63 - HA    LEU   63   3.77 +/- 0.21  28.681% * 35.9756% (0.57 10.00   5.61 241.45) =  20.418%  kept
        T QD1   LEU   73 - HA    LEU   63  11.53 +/- 1.71   2.644% *  0.3598% (0.57 10.00   0.02   0.14) =   0.019%
          QG2   VAL   41 - HA    LEU   63  11.28 +/- 1.92   1.335% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HA    LEU   63   8.42 +/- 1.36   2.564% *  0.0158% (0.25  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  13.28 +/- 2.81   0.776% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  17.25 +/- 2.87   0.374% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.59 +/- 2.15   0.353% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.10 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 241.4:
    * O T HA    LEU   63 - HB2   LEU   63   2.79 +/- 0.18  95.611% * 99.2046% (1.00  10.0 10.00   6.28 241.45) =  99.967%  kept
        T HB2   HIS   22 - HB2   LEU   63  18.04 +/- 5.05   4.135% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.033%
          HA2   GLY  101 - HB2   LEU   63  21.18 +/- 2.67   0.254% *  0.0372% (0.38   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 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.4:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  92.817% * 99.7424% (1.00  10.0 10.00   6.31 241.45) =  99.996%  kept
          QG1   VAL   70 - HB2   LEU   63   6.21 +/- 1.42   3.173% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HB2   LEU   63   9.63 +/- 3.60   1.250% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63   8.96 +/- 2.21   2.072% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU   63  11.32 +/- 1.65   0.509% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  15.21 +/- 2.38   0.179% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.4:
    * O T HG    LEU   63 - HB2   LEU   63   2.57 +/- 0.19  94.567% * 99.8120% (1.00  10.0 10.00   6.31 241.45) =  99.997%  kept
          QG2   VAL   24 - HB2   LEU   63  15.67 +/- 3.73   1.889% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - HB2   LEU   63  12.37 +/- 1.60   1.234% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB2   LEU   63   9.85 +/- 2.09   2.310% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.905, support = 6.15, residual support = 240.9:
    * O T QD1   LEU   63 - HB2   LEU   63   2.33 +/- 0.26  64.025% * 57.5099% (1.00  10.0 10.00   6.13 241.45) =  77.905%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.05 +/- 0.32  31.764% * 32.5594% (0.57  10.0 10.00   6.26 241.45) =  21.882%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.77 +/- 2.08   1.033% *  9.5009% (1.00   1.0 10.00   0.33   0.14) =   0.208%  kept
        T QD1   LEU  104 - HB2   LEU   63  13.11 +/- 2.64   0.512% *  0.3256% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB2   LEU   63   7.70 +/- 0.98   2.086% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   LEU   63  15.92 +/- 2.62   0.273% *  0.0461% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  15.91 +/- 2.93   0.307% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.768, support = 6.18, residual support = 241.1:
      O T QD1   LEU   63 - HB2   LEU   63   2.33 +/- 0.26  63.447% * 34.0731% (0.57  10.0 10.00   6.13 241.45) =  53.219%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.05 +/- 0.32  31.478% * 60.1834% (1.00  10.0 10.00   6.26 241.45) =  46.637%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.77 +/- 2.08   1.024% *  5.6291% (0.57   1.0 10.00   0.33   0.14) =   0.142%  kept
          QD2   LEU  115 - HB2   LEU   63   7.70 +/- 0.98   2.067% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB2   LEU   63  10.95 +/- 1.87   0.831% *  0.0365% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  12.74 +/- 2.68   0.622% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.56 +/- 3.13   0.260% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.92 +/- 2.62   0.271% *  0.0134% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.4:
    * O T HA    LEU   63 - HB3   LEU   63   2.58 +/- 0.25  96.996% * 99.8862% (1.00  10.0 10.00   5.98 241.45) =  99.998%  kept
          HB2   HIS   22 - HB3   LEU   63  17.88 +/- 5.12   2.760% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - HB3   LEU   63  20.77 +/- 3.16   0.244% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.4:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  92.466% * 99.1997% (1.00  10.0 10.00   6.31 241.45) =  99.993%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.82 +/- 3.35   5.328% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HB3   LEU   63  12.14 +/- 3.08   0.598% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  14.29 +/- 3.05   0.283% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  14.87 +/- 3.60   0.232% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  16.88 +/- 3.24   0.162% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.35 +/- 2.54   0.171% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  18.96 +/- 3.56   0.101% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  16.71 +/- 3.06   0.151% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  16.93 +/- 1.95   0.116% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.91 +/- 2.88   0.104% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  15.72 +/- 4.16   0.212% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  20.02 +/- 2.82   0.075% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 241.4:
    * O T HG    LEU   63 - HB3   LEU   63   2.89 +/- 0.23  91.394% * 99.8120% (1.00  10.0 10.00   6.00 241.45) =  99.995%  kept
          QG2   VAL   24 - HB3   LEU   63  15.44 +/- 3.95   3.076% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HB3   LEU   63  13.32 +/- 1.86   1.258% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB3   LEU   63  10.23 +/- 2.65   4.272% *  0.0154% (0.15   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 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.87, residual support = 240.6:
    * O T QD1   LEU   63 - HB3   LEU   63   2.51 +/- 0.30  46.158% * 52.0031% (1.00  10.0 10.00   5.84 241.45) =  61.640%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.42 +/- 0.29  50.271% * 29.4418% (0.57  10.0 10.00   5.96 241.45) =  38.007%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.72 +/- 1.87   0.742% * 18.1665% (1.00   1.0 10.00   0.70   0.14) =   0.346%  kept
        T QD1   LEU  104 - HB3   LEU   63  12.88 +/- 2.81   0.459% *  0.2944% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   LEU   63   8.43 +/- 1.49   1.915% *  0.0434% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LEU   63  15.80 +/- 2.82   0.222% *  0.0416% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  15.89 +/- 3.15   0.233% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.851, support = 5.91, residual support = 241.0:
    * O T QD2   LEU   63 - HB3   LEU   63   2.42 +/- 0.29  49.698% * 56.6305% (1.00  10.0 10.00   5.96 241.45) =  65.668%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.51 +/- 0.30  45.635% * 32.0616% (0.57  10.0 10.00   5.84 241.45) =  34.139%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.72 +/- 1.87   0.734% * 11.2002% (0.57   1.0 10.00   0.70   0.14) =   0.192%  kept
          QG2   VAL   41 - HB3   LEU   63  10.48 +/- 2.58   1.032% *  0.0343% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   63   8.43 +/- 1.49   1.893% *  0.0141% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   63  12.43 +/- 3.08   0.571% *  0.0233% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.47 +/- 3.30   0.218% *  0.0233% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.80 +/- 2.82   0.220% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.4:
    * O T HA    LEU   63 - HG    LEU   63   3.03 +/- 0.69  95.575% * 99.8862% (1.00  10.0 10.00   5.98 241.45) =  99.997%  kept
          HB2   HIS   22 - HG    LEU   63  18.80 +/- 5.30   3.836% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY  101 - HG    LEU   63  20.69 +/- 2.88   0.589% *  0.0375% (0.38   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 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.4:
    * O T HB2   LEU   63 - HG    LEU   63   2.57 +/- 0.19  83.890% * 99.1997% (1.00  10.0 10.00   6.31 241.45) =  99.984%  kept
          HB3   ASP-  44 - HG    LEU   63   8.38 +/- 3.15   8.853% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.010%
          HG2   LYS+ 111 - HG    LEU   63  16.91 +/- 3.55   1.425% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HG    LEU   63  12.23 +/- 3.45   1.615% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG    LEU   63  17.19 +/- 3.36   0.799% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   63  13.96 +/- 2.60   0.728% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG    LEU   63  14.88 +/- 3.57   0.662% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HG    LEU   63  16.49 +/- 2.83   0.413% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  19.69 +/- 3.44   0.237% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  17.41 +/- 1.95   0.296% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  18.82 +/- 2.71   0.298% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  15.64 +/- 4.04   0.584% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  20.34 +/- 2.94   0.201% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 241.4:
    * O T HB3   LEU   63 - HG    LEU   63   2.89 +/- 0.23  68.244% * 99.7424% (1.00  10.0 10.00   6.00 241.45) =  99.976%  kept
          QG1   VAL   70 - HG    LEU   63   5.59 +/- 1.71  18.448% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.015%
          QG1   VAL   18 - HG    LEU   63   9.89 +/- 3.25   3.641% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HG    LEU   63   8.69 +/- 2.49   6.589% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HG    LEU   63  11.03 +/- 2.04   2.335% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HG    LEU   63  15.49 +/- 3.12   0.744% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.843, support = 5.64, residual support = 241.4:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.01  48.418% * 63.0834% (1.00  10.0 10.00   5.58 241.45) =  63.793%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  48.519% * 35.7149% (0.57  10.0 10.00   5.75 241.45) =  36.192%  kept
        T QD1   LEU   73 - HG    LEU   63  11.30 +/- 2.27   0.743% *  0.6308% (1.00   1.0 10.00   0.02   0.14) =   0.010%
        T QD1   LEU  104 - HG    LEU   63  12.78 +/- 2.35   0.283% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HG    LEU   63   8.01 +/- 1.95   1.767% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - HG    LEU   63  16.42 +/- 3.09   0.146% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.51 +/- 2.53   0.125% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.843, support = 5.69, residual support = 241.4:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  48.194% * 63.5438% (1.00  10.0 10.00   5.75 241.45) =  63.895%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.01  48.093% * 35.9756% (0.57  10.0 10.00   5.58 241.45) =  36.099%  kept
        T QD1   LEU   73 - HG    LEU   63  11.30 +/- 2.27   0.738% *  0.3598% (0.57   1.0 10.00   0.02   0.14) =   0.006%
          QD2   LEU  115 - HG    LEU   63   8.01 +/- 1.95   1.755% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HG    LEU   63  10.78 +/- 1.94   0.530% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.47 +/- 3.03   0.446% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  17.15 +/- 3.07   0.120% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.51 +/- 2.53   0.124% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 5.57, residual support = 239.7:
    *   T HA    LEU   63 - QD1   LEU   63   3.77 +/- 0.21  62.111% * 93.9535% (1.00 10.00   5.61 241.45) =  99.277%  kept
          HB2   HIS   22 - QD1   LEU   73   9.23 +/- 3.53   9.491% *  3.5241% (0.76  1.00   0.98   0.02) =   0.569%  kept
          HB2   HIS   22 - QD1   LEU   63  15.43 +/- 4.31   4.172% *  1.2562% (0.76  1.00   0.35   0.02) =   0.089%
        T HA    LEU   63 - QD1   LEU   73  11.53 +/- 1.71   3.339% *  0.9395% (1.00 10.00   0.02   0.14) =   0.053%
        T HA    LEU   63 - QD1   LEU  104  13.55 +/- 2.57   1.751% *  0.2300% (0.24 10.00   0.02   0.02) =   0.007%
          HA2   GLY  101 - QD1   LEU  104   7.33 +/- 1.82  14.198% *  0.0086% (0.09  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU   73  13.25 +/- 2.55   2.756% *  0.0353% (0.38  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU   63  16.77 +/- 2.39   0.864% *  0.0353% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU  104  18.54 +/- 4.66   1.317% *  0.0176% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.996, support = 6.08, residual support = 238.9:
    * O T HB2   LEU   63 - QD1   LEU   63   2.33 +/- 0.26  43.121% * 76.8041% (1.00  10.0 10.00   6.13 241.45) =  98.925%  kept
          HB2   LEU   31 - QD1   LEU   73   8.54 +/- 3.58   2.120% *  6.2727% (0.90   1.0  1.00   1.82   1.32) =   0.397%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.85 +/- 2.18   8.726% *  0.9844% (0.14   1.0  1.00   1.85  17.77) =   0.257%  kept
        T HB2   LEU   63 - QD1   LEU   73  10.77 +/- 2.08   0.652% * 12.6885% (1.00   1.0 10.00   0.33   0.14) =   0.247%  kept
          HB3   ASP-  44 - QD1   LEU   73   7.42 +/- 2.37  10.929% *  0.3053% (0.98   1.0  1.00   0.08   5.09) =   0.100%
          HB3   ASP-  44 - QD1   LEU   63   6.51 +/- 3.09  12.659% *  0.0753% (0.98   1.0  1.00   0.02   0.02) =   0.028%
        T HB3   LEU   80 - QD1   LEU   73  11.04 +/- 3.32   0.786% *  0.7528% (0.98   1.0 10.00   0.02   0.02) =   0.018%
        T HB3   LEU   80 - QD1   LEU   63  15.79 +/- 3.55   0.233% *  0.7528% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - QD1   LEU   63   9.56 +/- 3.28   1.869% *  0.0497% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QD1   LEU   73   9.68 +/- 1.87   1.396% *  0.0615% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   63 - QD1   LEU  104  13.11 +/- 2.64   0.354% *  0.1880% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   73  11.96 +/- 3.64   1.292% *  0.0497% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU  104   6.25 +/- 0.99   3.185% *  0.0151% (0.20   1.0  1.00   0.02  10.08) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   63  13.56 +/- 3.01   0.708% *  0.0642% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD1   LEU   63  13.74 +/- 3.07   0.630% *  0.0689% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   80 - QD1   LEU  104  17.93 +/- 4.45   0.233% *  0.1843% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   63  11.77 +/- 3.11   0.599% *  0.0615% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   63  11.78 +/- 2.10   0.459% *  0.0689% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   73  17.99 +/- 5.27   0.455% *  0.0642% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD1   LEU  104  10.75 +/- 3.34   1.633% *  0.0169% (0.22   1.0  1.00   0.02   0.49) =   0.001%
          QB    ALA   84 - QD1   LEU   73  11.28 +/- 1.98   0.429% *  0.0528% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   73  12.90 +/- 1.88   0.360% *  0.0435% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  12.47 +/- 5.30   0.824% *  0.0169% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.93 +/- 2.14   0.247% *  0.0528% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  13.46 +/- 2.13   0.287% *  0.0435% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.75 +/- 2.49   0.161% *  0.0689% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.83 +/- 2.36   0.514% *  0.0184% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104   9.82 +/- 1.99   0.968% *  0.0084% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  14.14 +/- 1.68   0.227% *  0.0344% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  12.24 +/- 3.80   0.652% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  15.50 +/- 2.26   0.191% *  0.0344% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.75 +/- 1.95   0.424% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.86 +/- 0.80   1.575% *  0.0029% (0.04   1.0  1.00   0.02   0.39) =   0.000%
          QB    ALA   88 - QD1   LEU   73  14.40 +/- 3.11   0.307% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.62 +/- 2.28   0.229% *  0.0122% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  16.49 +/- 2.62   0.166% *  0.0129% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  16.28 +/- 2.90   0.158% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.67 +/- 2.02   0.113% *  0.0157% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  17.36 +/- 2.76   0.128% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 0.998, support = 5.78, residual support = 238.7:
    * O T HB3   LEU   63 - QD1   LEU   63   2.51 +/- 0.30  49.287% * 71.1328% (1.00  10.0 10.00   5.84 241.45) =  98.839%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.72 +/- 1.87   1.002% * 24.8492% (1.00   1.0 10.00   0.70   0.14) =   0.702%  kept
          QG1   VAL   18 - QD1   LEU   73   7.64 +/- 3.99   4.247% *  3.4804% (0.69   1.0  1.00   1.42   0.68) =   0.417%  kept
          QG1   VAL   70 - QD1   LEU   63   4.79 +/- 1.58  18.359% *  0.0403% (0.57   1.0  1.00   0.02   0.02) =   0.021%
          QG1   VAL   18 - QD1   LEU   63   8.29 +/- 2.88   4.835% *  0.0489% (0.69   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   LEU   63 - QD1   LEU  104  12.88 +/- 2.81   0.564% *  0.1741% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD1   LEU   63   7.37 +/- 2.01   4.035% *  0.0243% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU   73   8.19 +/- 1.58   3.712% *  0.0243% (0.34   1.0  1.00   0.02   1.64) =   0.003%
          QG1   VAL   70 - QD1   LEU   73   8.79 +/- 0.81   1.285% *  0.0403% (0.57   1.0  1.00   0.02   0.73) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.25 +/- 1.60   2.046% *  0.0243% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   63  12.31 +/- 2.98   0.761% *  0.0460% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   73  12.95 +/- 2.71   0.710% *  0.0460% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU  104   9.42 +/- 2.53   3.773% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   73  13.59 +/- 2.67   0.875% *  0.0243% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   8.91 +/- 2.41   1.733% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.49 +/- 2.94   0.994% *  0.0120% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.97 +/- 4.10   1.370% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.37 +/- 0.60   0.412% *  0.0113% (0.16   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 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 5.55, residual support = 239.5:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.01  74.967% * 86.6093% (1.00  10.0 10.00   5.58 241.45) =  99.188%  kept
          QG2   VAL   24 - QD1   LEU   73   7.48 +/- 3.26   5.706% *  4.2179% (0.97   1.0  1.00   1.01   1.16) =   0.368%  kept
        T QG1   VAL  107 - QD1   LEU   63   7.66 +/- 2.67   3.820% *  3.3418% (0.15   1.0 10.00   0.50   0.02) =   0.195%  kept
        T QG1   VAL  107 - QD1   LEU   73  10.45 +/- 3.34   3.147% *  3.1993% (0.15   1.0 10.00   0.48   0.02) =   0.154%  kept
          QG2   VAL   24 - QD1   LEU   63  12.76 +/- 3.63   3.572% *  1.3518% (0.97   1.0  1.00   0.32   0.02) =   0.074%
        T HG    LEU   63 - QD1   LEU   73  11.30 +/- 2.27   1.123% *  0.8661% (1.00   1.0 10.00   0.02   0.14) =   0.015%
          HG3   LYS+ 112 - QD1   LEU   73  15.63 +/- 5.69   2.436% *  0.0662% (0.76   1.0  1.00   0.02   0.11) =   0.002%
        T HG    LEU   63 - QD1   LEU  104  12.78 +/- 2.35   0.439% *  0.2120% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   63  10.36 +/- 1.85   1.166% *  0.0662% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL  107 - QD1   LEU  104   8.46 +/- 1.14   1.386% *  0.0327% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - QD1   LEU  104  13.39 +/- 3.91   2.061% *  0.0205% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU  104  16.50 +/- 1.85   0.177% *  0.0162% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 240.7:
    *   T HA    LEU   63 - QD2   LEU   63   2.72 +/- 0.61  86.506% * 98.0124% (1.00 10.00   5.77 241.45) =  99.703%  kept
          HB2   HIS   22 - QD2   LEU   63  15.56 +/- 4.35  12.918% *  1.9508% (0.76  1.00   0.52   0.02) =   0.296%  kept
          HA2   GLY  101 - QD2   LEU   63  16.44 +/- 2.56   0.576% *  0.0368% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.19 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 241.1:
    * O T HB2   LEU   63 - QD2   LEU   63   3.05 +/- 0.32  66.099% * 98.0532% (1.00  10.0 10.00   6.26 241.45) =  99.869%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.27 +/- 2.45  18.025% *  0.3869% (0.98   1.0  1.00   0.08   0.02) =   0.107%  kept
        T HB3   LEU   80 - QD2   LEU   63  16.33 +/- 2.78   0.625% *  0.9611% (0.98   1.0 10.00   0.02   0.02) =   0.009%
          QB    ALA  124 - QD2   LEU   63  11.36 +/- 2.67   2.428% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QD2   LEU   63  11.64 +/- 3.02   2.431% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD2   LEU   63  10.93 +/- 2.60   2.774% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - QD2   LEU   63  13.56 +/- 2.89   1.067% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD2   LEU   63  14.71 +/- 2.95   0.926% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD2   LEU   63  12.82 +/- 2.45   1.289% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   63  14.65 +/- 1.60   0.720% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   63  12.65 +/- 3.64   2.316% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   63  14.63 +/- 2.09   0.791% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   63  17.07 +/- 2.62   0.511% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 241.3:
    * O T HB3   LEU   63 - QD2   LEU   63   2.42 +/- 0.29  50.754% * 99.7424% (1.00  10.0 10.00   5.96 241.45) =  99.951%  kept
          QG1   VAL   70 - QD2   LEU   63   3.67 +/- 1.51  31.943% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.036%
          QD1   LEU  123 - QD2   LEU   63   7.28 +/- 2.49  10.851% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL   18 - QD2   LEU   63   8.04 +/- 3.17   2.581% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD2   LEU   63   8.38 +/- 1.83   3.255% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - QD2   LEU   63  13.01 +/- 2.75   0.615% *  0.0645% (0.65   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 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 241.4:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.01  92.355% * 99.6738% (1.00  10.0 10.00   5.75 241.45) =  99.990%  kept
        T QG1   VAL  107 - QD2   LEU   63   8.22 +/- 2.58   3.989% *  0.1538% (0.15   1.0 10.00   0.02   0.02) =   0.007%
          QG2   VAL   24 - QD2   LEU   63  13.04 +/- 3.41   2.820% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - QD2   LEU   63  11.40 +/- 1.75   0.837% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.6:
    * O T QB    ALA   64 - HA    ALA   64   2.12 +/- 0.01  99.526% * 99.9825% (1.00  10.0 10.00   2.00  20.65) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  13.94 +/- 2.29   0.474% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.932, support = 2.14, residual support = 23.4:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  75.198% * 72.6945% (1.00  10.0 10.00   2.00  20.65) =  89.071%  kept
        T HB2   PHE   72 - QB    ALA   64   4.05 +/- 1.08  24.583% * 27.2831% (0.38   1.0 10.00   3.30  45.58) =  10.928%  kept
          HB3   ASN   35 - QB    ALA   64  15.34 +/- 1.32   0.219% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.918, support = 6.53, residual support = 157.7:
    * O T QB    LYS+  65 - HA    LYS+  65   2.33 +/- 0.15  82.057% * 86.0734% (0.92  10.0 10.00   6.55 159.52) =  98.613%  kept
          QB    LYS+  66 - HA    LYS+  65   5.30 +/- 0.20   7.357% * 13.4366% (0.52   1.0  1.00   5.51  30.49) =   1.380%  kept
          HB3   GLN   17 - HA    LYS+  65  11.87 +/- 6.61   4.683% *  0.0522% (0.56   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HA    LYS+  65  11.46 +/- 1.49   0.909% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LYS+  65  16.54 +/- 2.94   0.535% *  0.0719% (0.77   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HA    LYS+ 121  15.91 +/- 1.81   0.326% *  0.0971% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  13.58 +/- 2.15   0.632% *  0.0323% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.45 +/- 2.53   0.148% *  0.0844% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  16.02 +/- 5.99   0.654% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  19.13 +/- 3.00   0.213% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  14.82 +/- 4.45   0.785% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.08 +/- 4.46   0.301% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.84 +/- 4.70   0.358% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  15.83 +/- 3.86   0.452% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.89 +/- 2.23   0.197% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  16.49 +/- 5.12   0.393% *  0.0024% (0.03   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 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.828, support = 5.62, residual support = 166.3:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.12 +/- 0.81  28.568% * 53.0514% (0.92  10.0 10.00   5.39 159.52) =  84.613%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.60 +/- 0.66  19.368% *  5.9339% (0.10   1.0 10.00   7.65 313.01) =   6.416%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.36 +/- 0.61   2.758% * 38.5232% (0.67   1.0 10.00   5.56  30.49) =   5.933%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.64 +/- 0.21  36.009% *  1.4928% (0.03  10.0 10.00   8.22 313.01) =   3.001%  kept
        T HD3   LYS+  74 - HA    LYS+  65   8.72 +/- 3.78   4.213% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.019%
          HB2   LYS+  74 - HA    LYS+  65   8.85 +/- 2.98   3.798% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.009%
        T HD2   LYS+ 121 - HA    LYS+  65  17.56 +/- 2.17   0.128% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LYS+ 121 - HA    LYS+  65  17.29 +/- 2.22   0.147% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HA    LYS+ 121  15.53 +/- 4.48   0.369% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  65  14.13 +/- 2.18   0.281% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  19.03 +/- 2.09   0.100% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.39 +/- 2.60   0.353% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  13.25 +/- 7.21   2.553% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  20.25 +/- 4.44   0.343% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  19.12 +/- 3.30   0.127% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.03 +/- 2.43   0.102% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  22.13 +/- 2.66   0.065% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.59 +/- 5.49   0.404% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.81 +/- 2.02   0.070% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.16 +/- 2.15   0.246% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.91, support = 5.29, residual support = 161.6:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.26 +/- 0.47  45.826% * 94.0974% (0.92  10.0 10.00   5.27 159.52) =  98.525%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   3.99 +/- 0.87  29.760% *  2.1015% (0.02   1.0 10.00   6.69 313.01) =   1.429%  kept
        T HG3   LYS+ 106 - HA    LYS+  65  19.16 +/- 3.42   0.475% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  33 - HA    LYS+  65  18.10 +/- 2.52   0.319% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.007%
          HB    VAL   42 - HA    LYS+  65  10.42 +/- 2.35   3.050% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    LYS+  65  11.01 +/- 1.67   2.019% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    LYS+  65  23.23 +/- 2.78   0.170% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HA    LYS+ 121  14.41 +/- 5.70   1.247% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HA    LYS+  65   8.75 +/- 2.87   5.235% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HA    LYS+ 121  18.32 +/- 6.88   0.941% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  18.45 +/- 2.42   0.364% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    LYS+  65  14.74 +/- 2.74   1.743% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+  65  17.78 +/- 2.28   0.444% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 121  21.90 +/- 4.81   0.367% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  65  15.30 +/- 2.77   0.759% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    LYS+ 121  18.98 +/- 2.40   0.299% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  65  17.68 +/- 4.11   0.463% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+  65  17.29 +/- 3.10   0.648% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  17.26 +/- 3.55   0.805% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.47 +/- 3.37   0.907% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.72 +/- 5.22   0.850% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.84 +/- 1.70   0.593% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.00 +/- 4.96   1.033% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.12 +/- 3.11   0.303% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.97 +/- 5.42   0.701% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  18.01 +/- 1.61   0.303% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.33 +/- 2.28   0.217% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  22.98 +/- 2.23   0.158% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.821, support = 5.27, residual support = 177.0:
    *   T QD    LYS+  65 - HA    LYS+  65   3.30 +/- 0.62  33.487% * 84.9987% (0.92   1.0 10.00   4.88 159.52) =  87.586%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.06  40.459% *  9.5709% (0.10  10.0 10.00   8.30 313.01) =  11.916%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.41 +/- 0.39   6.751% *  2.1968% (0.04   1.0 10.00   1.34   2.43) =   0.456%  kept
          HD2   LYS+  74 - HA    LYS+  65   8.59 +/- 3.63  13.946% *  0.0481% (0.52   1.0  1.00   0.02   0.02) =   0.021%
        T HB2   LYS+ 121 - HA    LYS+  65  16.70 +/- 1.93   0.250% *  0.8481% (0.92   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  38 - HA    LYS+  65  18.92 +/- 2.34   0.186% *  0.7846% (0.85   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  123 - HA    LYS+  65  17.46 +/- 3.12   0.286% *  0.2899% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HA    LYS+  65  21.48 +/- 2.62   0.119% *  0.4812% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HA    LYS+ 121  16.41 +/- 6.66   0.644% *  0.0543% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 121  18.06 +/- 5.45   0.337% *  0.0885% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+  65  22.16 +/- 3.29   0.129% *  0.2119% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 121  17.41 +/- 2.16   0.237% *  0.0959% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  65  11.37 +/- 1.80   0.959% *  0.0236% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  65  19.26 +/- 3.36   0.230% *  0.0842% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  21.66 +/- 3.32   0.139% *  0.1311% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+  65  16.40 +/- 2.92   0.420% *  0.0319% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.47 +/- 2.73   0.289% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  17.27 +/- 2.39   0.277% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.66 +/- 2.12   0.470% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.63 +/- 2.41   0.201% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.24 +/- 4.11   0.071% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.74 +/- 2.31   0.112% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 159.4:
    *   T QE    LYS+  65 - HA    LYS+  65   4.50 +/- 0.31  84.777% * 97.2340% (0.92 10.00   4.87 159.52) =  99.952%  kept
        T QE    LYS+  33 - HA    LYS+  65  16.70 +/- 2.44   1.937% *  0.8720% (0.83 10.00   0.02   0.02) =   0.020%
        T HB2   ASN   28 - HA    LYS+  65  20.18 +/- 2.23   1.209% *  0.9384% (0.89 10.00   0.02   0.02) =   0.014%
        T HB2   ASN   35 - HA    LYS+  65  21.79 +/- 1.83   0.832% *  0.5898% (0.56 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  33 - HA    LYS+ 121  20.07 +/- 4.58   2.062% *  0.0984% (0.09 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HA    LYS+ 121  17.94 +/- 2.18   1.742% *  0.1097% (0.10 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    LYS+  65  17.06 +/- 3.64   2.764% *  0.0365% (0.35  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    LYS+  65  22.69 +/- 3.57   1.013% *  0.0898% (0.85  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    LYS+ 121  24.42 +/- 5.70   1.571% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  21.76 +/- 4.50   1.125% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  27.04 +/- 5.00   0.546% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  27.66 +/- 2.42   0.420% *  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 = 6.55, residual support = 159.5:
    * O T HA    LYS+  65 - QB    LYS+  65   2.33 +/- 0.15  79.329% * 98.7802% (0.92  10.0 10.00   6.55 159.52) =  99.978%  kept
          QB    SER   48 - QB    LYS+  65  13.27 +/- 4.98   8.350% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.009%
          HB    THR   94 - QB    LYS+  65  13.75 +/- 4.05   5.880% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - QB    LYS+  65  13.33 +/- 5.41   2.694% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QB    LYS+  65  15.91 +/- 1.81   0.315% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QB    LYS+  65  14.58 +/- 3.71   1.481% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  14.14 +/- 2.32   0.542% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QB    LYS+  65  14.35 +/- 3.15   0.623% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  20.33 +/- 2.97   0.150% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.32 +/- 0.71   0.360% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  20.07 +/- 1.58   0.135% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  21.77 +/- 3.80   0.141% *  0.0187% (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 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 = 0.975, support = 5.81, residual support = 147.6:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.36 +/- 0.15  77.484% * 57.5064% (1.00  10.0 10.00   5.83 159.52) =  90.783%  kept
        T QD    LYS+  66 - QB    LYS+  65   5.03 +/- 0.89  10.822% * 41.7582% (0.73   1.0 10.00   5.58  30.49) =   9.207%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  15.05 +/- 1.84   0.396% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QB    LYS+  65   9.11 +/- 2.53   3.530% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - QB    LYS+  65   8.52 +/- 3.44   5.840% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QB    LYS+  65  13.74 +/- 1.90   0.476% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QB    LYS+  65  13.05 +/- 2.42   0.566% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.91 +/- 1.65   0.368% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.67 +/- 3.06   0.240% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  16.66 +/- 2.30   0.278% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.33, residual support = 159.5:
    * O T QD    LYS+  65 - QB    LYS+  65   2.17 +/- 0.15  80.528% * 97.4795% (1.00  10.0 10.00   5.33 159.52) =  99.975%  kept
          HD2   LYS+  74 - QB    LYS+  65   8.64 +/- 3.17  14.107% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.010%
        T HG3   PRO   93 - QB    LYS+  65  13.59 +/- 3.08   2.029% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  38 - QB    LYS+  65  18.00 +/- 2.22   0.173% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QB    LYS+  65  19.85 +/- 2.41   0.130% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QB    LYS+  65  18.49 +/- 3.09   0.190% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  65   8.91 +/- 1.55   1.634% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+  65  18.05 +/- 3.16   0.218% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  14.30 +/- 1.55   0.324% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  17.65 +/- 3.23   0.262% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  14.64 +/- 2.72   0.404% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 159.5:
    *   T QE    LYS+  65 - QB    LYS+  65   3.12 +/- 0.52  96.473% * 98.8300% (1.00 10.00   5.43 159.52) =  99.990%  kept
        T QE    LYS+  33 - QB    LYS+  65  16.27 +/- 2.02   0.882% *  0.8863% (0.90 10.00   0.02   0.02) =   0.008%
          HB2   ASP-  86 - QB    LYS+  65  20.55 +/- 3.35   0.529% *  0.0912% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - QB    LYS+  65  19.22 +/- 2.14   0.501% *  0.0954% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QB    LYS+  65  15.46 +/- 3.57   1.227% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  20.80 +/- 1.59   0.388% *  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 = 5.38, residual support = 159.4:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.12 +/- 0.81  57.776% * 97.8884% (0.92  10.0 10.00   5.39 159.52) =  99.935%  kept
          QB    SER   48 - HG2   LYS+  65  14.44 +/- 6.23  18.393% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.026%
        T HA    ALA  120 - HG2   LYS+  65  17.16 +/- 2.45   0.600% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.011%
          HB    THR   94 - HG2   LYS+  65  15.91 +/- 4.71   7.717% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.009%
          HA2   GLY   51 - HG2   LYS+  65  16.30 +/- 4.59   9.938% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LYS+ 121 - HG2   LYS+  65  19.03 +/- 2.09   0.385% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HG2   LYS+  65  14.91 +/- 5.86   2.192% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HD2   PRO   52 - HG2   LYS+  65  16.11 +/- 4.01   1.813% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  22.88 +/- 3.41   0.213% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  17.03 +/- 1.27   0.554% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  22.45 +/- 2.03   0.219% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  24.67 +/- 4.15   0.200% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.962, support = 5.71, residual support = 148.4:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.36 +/- 0.15  81.793% * 63.6862% (1.00  10.0 10.00   5.83 159.52) =  91.350%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.49 +/- 1.29  13.674% * 36.0562% (0.57   1.0 10.00   4.43  30.49) =   8.646%  kept
          HB3   GLN   17 - HG2   LYS+  65  13.04 +/- 6.01   2.596% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG2   LYS+  65  13.66 +/- 1.75   0.584% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG2   LYS+  65  16.05 +/- 3.22   0.600% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG2   LYS+  65  15.43 +/- 2.44   0.413% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.91 +/- 3.02   0.134% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  20.57 +/- 3.34   0.205% *  0.0159% (0.25   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 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.65, residual support = 159.4:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.36 +/- 0.16  90.494% * 96.4735% (1.00  10.0 10.00   4.65 159.52) =  99.955%  kept
        T HD2   LYS+  74 - HG2   LYS+  65   9.55 +/- 3.75   6.120% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.038%
        T HB2   LYS+ 121 - HG2   LYS+  65  17.20 +/- 1.89   0.276% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG2   LYS+  65  20.67 +/- 2.46   0.164% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+  65  22.84 +/- 3.12   0.115% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   LYS+  65  21.60 +/- 3.52   0.158% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65  10.49 +/- 1.64   1.413% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.09 +/- 3.68   0.183% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  15.84 +/- 3.28   0.576% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  19.87 +/- 3.75   0.211% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  17.70 +/- 2.89   0.290% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 159.5:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.60 +/- 0.44  97.997% * 98.8300% (1.00  10.0 10.00   4.55 159.52) =  99.995%  kept
        T QE    LYS+  33 - HG2   LYS+  65  18.18 +/- 2.36   0.422% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HG2   LYS+  65  16.99 +/- 4.52   0.952% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  21.10 +/- 2.78   0.250% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  23.32 +/- 3.78   0.211% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  23.49 +/- 1.80   0.167% *  0.0599% (0.61   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.922, support = 4.88, residual support = 159.4:
    *   T HA    LYS+  65 - QD    LYS+  65   3.30 +/- 0.62  44.219% * 96.9449% (0.92 10.00   4.88 159.52) =  99.932%  kept
          QB    SER   48 - QD    LYS+  65  13.40 +/- 5.39   9.624% *  0.0803% (0.76  1.00   0.02   0.02) =   0.018%
          HA2   GLY   51 - QD    LYS+  65  14.86 +/- 4.44  10.577% *  0.0511% (0.49  1.00   0.02   0.02) =   0.013%
          HA2   GLY   16 - QD    LYS+  65  13.55 +/- 5.52   2.797% *  0.1014% (0.97  1.00   0.02   0.02) =   0.007%
        T HA    LYS+ 121 - QD    LYS+  65  17.41 +/- 2.16   0.394% *  0.5946% (0.57 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QD    LYS+ 102  16.41 +/- 6.66   1.123% *  0.1503% (0.14 10.00   0.02   0.02) =   0.004%
          HB    THR   94 - QD    LYS+  65  15.05 +/- 4.29   2.223% *  0.0679% (0.65  1.00   0.02   0.02) =   0.004%
          HA    ALA  120 - QD    LYS+  65  15.65 +/- 2.31   0.737% *  0.0993% (0.95  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - QD    LYS+  38  18.06 +/- 5.45   0.620% *  0.1086% (0.10 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HD3   LYS+ 111  17.47 +/- 2.73   0.432% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - QD    LYS+  38  18.92 +/- 2.34   0.319% *  0.1771% (0.17 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    LYS+  65  14.84 +/- 3.92   1.442% *  0.0358% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD3   LYS+ 111  22.16 +/- 3.29   0.197% *  0.2400% (0.23 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - QD    LYS+ 102  21.48 +/- 2.62   0.191% *  0.2450% (0.23 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  17.27 +/- 2.39   0.423% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 111  21.66 +/- 3.32   0.211% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+  65  20.97 +/- 3.28   0.305% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HD3   LYS+ 111  16.63 +/- 2.66   0.950% *  0.0246% (0.23  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+ 111  13.80 +/- 2.55   1.156% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  19.32 +/- 5.51   0.659% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   9.37 +/- 1.46   2.411% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.37 +/- 2.45   1.021% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  12.18 +/- 4.95   2.829% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  15.98 +/- 3.97   0.799% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.64 +/- 1.41   0.520% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.38 +/- 2.55   1.100% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  19.02 +/- 4.94   0.420% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   9.21 +/- 1.30   2.628% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  15.97 +/- 1.46   0.488% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.55 +/- 4.75   0.377% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  19.21 +/- 3.69   0.342% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.26 +/- 1.17   1.683% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.79 +/- 3.26   0.698% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  22.23 +/- 3.30   0.215% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.90 +/- 3.15   0.394% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  22.81 +/- 4.41   0.183% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  15.44 +/- 3.34   0.817% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  22.69 +/- 3.99   0.234% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  20.64 +/- 2.25   0.206% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.91 +/- 3.80   0.349% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  22.65 +/- 2.28   0.188% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  17.57 +/- 3.23   0.450% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  16.26 +/- 2.93   0.513% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  30.86 +/- 2.52   0.063% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  22.01 +/- 3.28   0.204% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  25.89 +/- 3.61   0.128% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  22.07 +/- 1.47   0.174% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  30.39 +/- 6.42   0.080% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  21.16 +/- 5.63   0.386% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  25.83 +/- 2.93   0.119% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  19.53 +/- 2.73   0.270% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  30.00 +/- 6.31   0.081% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.90 +/- 3.54   0.268% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  27.62 +/- 2.07   0.089% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.31 +/- 1.66   0.115% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  20.66 +/- 3.57   0.256% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  30.43 +/- 4.08   0.071% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  29.05 +/- 2.77   0.076% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  29.04 +/- 3.67   0.088% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  30.44 +/- 2.37   0.067% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.09 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.854, support = 5.2, residual support = 157.5:
    * O T QB    LYS+  65 - QD    LYS+  65   2.17 +/- 0.15  40.014% * 69.2272% (1.00  10.0 10.00   5.33 159.52) =  80.016%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.25 +/- 0.31  37.305% * 17.1510% (0.25  10.0 10.00   4.75 159.55) =  18.482%  kept
          QB    LYS+  66 - QD    LYS+  65   5.17 +/- 1.06   5.181% *  8.7452% (0.57   1.0  1.00   4.46  30.49) =   1.309%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.66 +/- 3.85   4.165% *  0.9959% (0.13   1.0 10.00   0.22   0.02) =   0.120%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.26 +/- 1.01   2.243% *  0.8510% (0.06   1.0  1.00   3.90  23.65) =   0.055%
        T HG2   PRO   93 - QD    LYS+  65  14.97 +/- 3.11   0.257% *  0.5782% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+ 102 - QD    LYS+  38  11.14 +/- 2.47   0.730% *  0.1240% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - QD    LYS+  65  11.94 +/- 5.37   1.739% *  0.0420% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HD3   LYS+ 111  10.05 +/- 3.70   4.469% *  0.0143% (0.21   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - QD    LYS+  65  14.41 +/- 2.44   0.238% *  0.2598% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - QD    LYS+  65  20.11 +/- 2.82   0.069% *  0.6786% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+ 102  10.24 +/- 1.89   0.539% *  0.0657% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  11.38 +/- 1.46   0.389% *  0.0475% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  65  12.73 +/- 1.69   0.253% *  0.0691% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD3   LYS+ 111  18.49 +/- 3.09   0.090% *  0.1714% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  19.85 +/- 2.41   0.064% *  0.1750% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.05 +/- 3.16   0.104% *  0.1060% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  18.00 +/- 2.22   0.086% *  0.1265% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.00 +/- 1.13   0.046% *  0.1462% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.34 +/- 2.11   0.448% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.05 +/- 1.60   0.039% *  0.1039% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  25.96 +/- 1.76   0.025% *  0.1056% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.72 +/- 3.03   0.151% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.04 +/- 3.33   0.111% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.16 +/- 2.22   0.042% *  0.0398% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  14.45 +/- 2.57   0.392% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.68 +/- 2.70   0.141% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  19.13 +/- 2.88   0.086% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  17.91 +/- 3.57   0.096% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  22.31 +/- 1.76   0.038% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  19.99 +/- 2.60   0.061% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  26.00 +/- 3.89   0.030% *  0.0171% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.86 +/- 3.66   0.047% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.66 +/- 3.04   0.082% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.42 +/- 3.52   0.030% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  29.48 +/- 5.21   0.028% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  22.59 +/- 2.34   0.040% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  20.73 +/- 2.10   0.052% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  29.10 +/- 5.06   0.026% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.43 +/- 1.91   0.053% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.939, support = 4.59, residual support = 142.8:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.36 +/- 0.16  42.732% * 54.0927% (1.00  10.0 10.00   4.65 159.52) =  82.816%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.60 +/- 1.43  10.808% * 39.2794% (0.73   1.0 10.00   4.18  30.49) =  15.210%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.44 +/- 0.61  18.745% *  1.4512% (0.03  10.0  1.00   5.20 315.01) =   0.975%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.72 +/- 0.27  11.330% *  2.3452% (0.04  10.0  1.00   5.20 315.01) =   0.952%  kept
        T HB2   LYS+  74 - QD    LYS+  65   9.52 +/- 2.89   1.327% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.021%
        T HD3   LYS+  74 - QD    LYS+  65   8.89 +/- 3.93   4.238% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.013%
        T HD2   LYS+ 121 - QD    LYS+  65  16.64 +/- 2.24   0.156% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 121 - QD    LYS+ 102  15.63 +/- 6.41   0.465% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 121 - HD3   LYS+ 111  15.89 +/- 3.07   0.194% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD    LYS+  65  16.39 +/- 2.18   0.180% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  18.24 +/- 4.79   0.178% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD    LYS+ 102  15.20 +/- 6.46   0.421% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+  65  13.81 +/- 2.11   0.252% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.90 +/- 3.36   0.121% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  17.73 +/- 2.96   0.151% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.22 +/- 1.45   3.121% *  0.0034% (0.06   1.0  1.00   0.02   0.35) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  21.60 +/- 3.52   0.076% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  18.89 +/- 2.61   0.110% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  15.18 +/- 3.83   0.615% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  22.84 +/- 3.12   0.055% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.09 +/- 3.68   0.089% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.67 +/- 2.46   0.072% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  21.35 +/- 2.70   0.064% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  23.49 +/- 3.30   0.056% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  16.52 +/- 2.50   0.160% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  17.49 +/- 5.09   0.162% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.27 +/- 2.78   0.273% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.77 +/- 1.23   1.079% *  0.0022% (0.04   1.0  1.00   0.02   0.59) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.18 +/- 1.42   0.232% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.00 +/- 3.59   0.126% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  15.71 +/- 2.77   0.198% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  20.77 +/- 2.28   0.072% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  11.27 +/- 2.46   0.569% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.06 +/- 2.65   0.137% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  20.62 +/- 2.71   0.084% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  22.50 +/- 3.45   0.059% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  12.83 +/- 1.96   0.338% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  19.20 +/- 1.89   0.089% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  25.31 +/- 3.78   0.058% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.42 +/- 3.58   0.120% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.97 +/- 3.68   0.063% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  23.02 +/- 3.16   0.058% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  16.30 +/- 2.20   0.163% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  21.88 +/- 2.30   0.065% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.68 +/- 2.56   0.073% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  23.59 +/- 2.72   0.050% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  21.49 +/- 2.03   0.066% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.09 +/- 2.34   0.052% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  22.05 +/- 3.52   0.063% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  25.79 +/- 2.51   0.035% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 159.5:
    * O T QE    LYS+  65 - QD    LYS+  65   2.08 +/- 0.03  78.006% * 97.0780% (1.00  10.0 10.00   4.25 159.52) =  99.989%  kept
          HB2   ASN   35 - QD    LYS+ 102  11.84 +/- 4.61  13.488% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - QD    LYS+  65  16.68 +/- 2.18   0.180% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - QD    LYS+  38  10.09 +/- 1.45   0.895% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - QD    LYS+ 102  13.71 +/- 2.50   0.377% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HD3   LYS+ 111  19.62 +/- 4.04   0.166% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  38   6.80 +/- 1.31   3.584% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HD2   LYS+ 111  19.19 +/- 4.19   0.201% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  15.68 +/- 4.35   0.754% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  21.47 +/- 3.31   0.099% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  19.70 +/- 2.76   0.113% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  19.45 +/- 2.57   0.126% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  17.45 +/- 6.78   0.518% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  15.80 +/- 5.06   0.398% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.24 +/- 3.84   0.043% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  21.50 +/- 3.58   0.102% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  27.85 +/- 3.66   0.044% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  21.49 +/- 2.26   0.087% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.55 +/- 1.90   0.200% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.40 +/- 4.37   0.096% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.11 +/- 4.24   0.091% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  25.11 +/- 5.12   0.060% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  22.88 +/- 3.42   0.078% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.47 +/- 3.51   0.030% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.45 +/- 3.01   0.068% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.06 +/- 3.50   0.033% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.05 +/- 3.00   0.073% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.68 +/- 2.57   0.024% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  26.35 +/- 2.61   0.043% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  31.24 +/- 2.46   0.025% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.881, support = 4.8, residual support = 152.2:
    *   T HA    LYS+  65 - QE    LYS+  65   4.50 +/- 0.31  34.185% * 88.0388% (0.92 10.00   4.87 159.52) =  94.905%  kept
        T HA    GLN   32 - QE    LYS+  33   6.70 +/- 1.36  16.260% *  9.7024% (0.10 10.00   3.58  15.48) =   4.975%  kept
          QB    SER   48 - QE    LYS+  65  12.98 +/- 5.91  13.504% *  0.0729% (0.76  1.00   0.02   0.02) =   0.031%
          HA2   GLY   16 - QE    LYS+  65  14.11 +/- 5.36   5.761% *  0.0920% (0.97  1.00   0.02   0.02) =   0.017%
          HB    THR   94 - QE    LYS+  65  15.03 +/- 4.88   7.901% *  0.0617% (0.65  1.00   0.02   0.02) =   0.015%
        T HA    LYS+  65 - QE    LYS+  33  16.70 +/- 2.44   0.781% *  0.4526% (0.47 10.00   0.02   0.02) =   0.011%
          HA2   GLY   51 - QE    LYS+  65  14.39 +/- 4.35   7.401% *  0.0464% (0.49  1.00   0.02   0.02) =   0.011%
        T HA    LYS+ 121 - QE    LYS+  65  17.94 +/- 2.18   0.634% *  0.5399% (0.57 10.00   0.02   0.02) =   0.011%
        T HA    LYS+ 121 - QE    LYS+  33  20.07 +/- 4.58   0.742% *  0.2776% (0.29 10.00   0.02   0.02) =   0.006%
          HA2   GLY   16 - QE    LYS+  33  12.90 +/- 3.60   3.700% *  0.0473% (0.50  1.00   0.02   0.02) =   0.006%
          HD2   PRO   52 - QE    LYS+  65  14.37 +/- 4.28   2.704% *  0.0325% (0.34  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - QE    LYS+  65  16.09 +/- 2.15   0.960% *  0.0902% (0.95  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - QE    LYS+  65  21.39 +/- 2.36   0.328% *  0.1887% (0.20 10.00   0.02   0.02) =   0.002%
          QB    SER   85 - QE    LYS+  65  20.92 +/- 3.61   0.406% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QE    LYS+  33  21.09 +/- 4.08   0.493% *  0.0464% (0.49  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QE    LYS+  65  15.79 +/- 1.85   0.860% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  22.85 +/- 4.94   0.377% *  0.0473% (0.50  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QE    LYS+  33  20.65 +/- 4.12   1.338% *  0.0122% (0.13  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QE    LYS+  33  20.10 +/- 1.70   0.430% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  22.05 +/- 3.68   0.335% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.57 +/- 4.40   0.341% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.34 +/- 3.18   0.159% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.04 +/- 2.58   0.186% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  26.28 +/- 4.40   0.215% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.05 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.981, support = 5.38, residual support = 153.9:
    *   T QB    LYS+  65 - QE    LYS+  65   3.12 +/- 0.52  57.864% * 88.2178% (1.00 10.00   5.43 159.52) =  95.682%  kept
          QB    LYS+  66 - QE    LYS+  65   6.04 +/- 1.64  21.302% * 10.7628% (0.57  1.00   4.31  30.49) =   4.297%  kept
          HB3   GLN   17 - QE    LYS+  65  12.49 +/- 5.03   4.374% *  0.0535% (0.61  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  65 - QE    LYS+  33  16.27 +/- 2.02   0.501% *  0.4535% (0.51 10.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - QE    LYS+  33  10.08 +/- 3.03   4.402% *  0.0452% (0.51  1.00   0.02   0.02) =   0.004%
          HG2   PRO   93 - QE    LYS+  65  14.69 +/- 3.65   1.349% *  0.0737% (0.84  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QE    LYS+  65  13.74 +/- 1.69   0.988% *  0.0880% (1.00  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QE    LYS+  33  12.62 +/- 4.06   2.422% *  0.0275% (0.31  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  12.71 +/- 2.16   1.279% *  0.0445% (0.50  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  33  10.18 +/- 1.88   2.360% *  0.0170% (0.19  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  65  15.19 +/- 2.68   0.771% *  0.0331% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  20.69 +/- 3.20   0.275% *  0.0865% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  16.36 +/- 2.34   0.876% *  0.0257% (0.29  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  19.60 +/- 3.80   0.410% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  14.61 +/- 1.87   0.674% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.10 +/- 2.15   0.152% *  0.0379% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.992, support = 4.55, residual support = 155.9:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.60 +/- 0.44  60.332% * 85.2824% (1.00  10.0 10.00   4.55 159.52) =  97.181%  kept
          QD    LYS+  66 - QE    LYS+  65   6.38 +/- 1.78  10.772% * 13.7478% (0.73   1.0  1.00   4.44  30.49) =   2.797%  kept
          QG2   THR   26 - QE    LYS+  33   6.33 +/- 1.81  12.946% *  0.0435% (0.51   1.0  1.00   0.02   0.02) =   0.011%
          HB2   LYS+  74 - QE    LYS+  65  10.05 +/- 3.15   2.980% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+  65 - QE    LYS+  33  18.18 +/- 2.36   0.261% *  0.4384% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QE    LYS+  65   9.41 +/- 4.08   6.129% *  0.0132% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - QE    LYS+  65  14.22 +/- 2.66   0.557% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  65  17.12 +/- 2.38   0.468% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  33  14.64 +/- 2.36   0.555% *  0.0366% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.90 +/- 2.32   0.641% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  19.70 +/- 4.97   0.282% *  0.0435% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  17.35 +/- 2.86   0.359% *  0.0318% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.20 +/- 1.99   1.153% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.27 +/- 2.86   0.522% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.67 +/- 3.84   0.352% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  13.71 +/- 2.72   0.646% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  17.93 +/- 3.38   0.389% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  19.00 +/- 4.50   0.263% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  17.04 +/- 2.39   0.317% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.90 +/- 3.52   0.076% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 159.5:
    * O T QD    LYS+  65 - QE    LYS+  65   2.08 +/- 0.03  89.867% * 96.2302% (1.00  10.0 10.00   4.25 159.52) =  99.985%  kept
        T QD    LYS+  38 - QE    LYS+  33  10.09 +/- 1.45   1.025% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.005%
          HD2   LYS+  74 - QE    LYS+  65   9.72 +/- 3.52   2.971% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  33  13.71 +/- 2.50   0.474% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - QE    LYS+  65  19.70 +/- 2.76   0.130% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  33  16.68 +/- 2.18   0.209% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  65  21.47 +/- 3.31   0.114% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  19.62 +/- 4.04   0.189% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  65  16.33 +/- 2.22   0.368% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   9.32 +/- 1.52   1.276% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  19.19 +/- 4.19   0.229% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  14.44 +/- 3.72   0.729% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  18.50 +/- 3.81   0.216% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  18.95 +/- 4.57   0.286% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.89 +/- 3.62   0.955% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  20.11 +/- 5.69   0.176% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  16.57 +/- 2.48   0.241% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  16.06 +/- 2.47   0.233% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.24 +/- 3.84   0.049% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  27.85 +/- 3.66   0.050% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  21.10 +/- 4.30   0.149% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.18 +/- 2.27   0.064% *  0.0186% (0.19   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 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 = 5.19, residual support = 116.1:
    * O T QB    LYS+  66 - HA    LYS+  66   2.34 +/- 0.14  82.511% * 85.8998% (1.00  10.0 10.00   5.18 118.37) =  97.433%  kept
          QB    LYS+  65 - HA    LYS+  66   4.36 +/- 0.35  14.090% * 13.2310% (0.57   1.0  1.00   5.44  30.49) =   2.563%  kept
        T HB3   PRO   52 - HA    LYS+  66  20.56 +/- 3.22   0.199% *  0.4863% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    LYS+  66  15.17 +/- 5.66   1.310% *  0.0486% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LYS+  66  15.25 +/- 2.00   0.483% *  0.0813% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  12.53 +/- 1.68   0.733% *  0.0452% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  18.40 +/- 3.38   0.422% *  0.0770% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.88 +/- 2.47   0.134% *  0.0717% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  21.66 +/- 2.48   0.117% *  0.0590% (0.69   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 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.964, support = 4.37, residual support = 110.2:
    * O T QG    LYS+  66 - HA    LYS+  66   2.63 +/- 0.44  71.488% * 64.6381% (1.00  10.0 10.00   4.37 118.37) =  92.130%  kept
        T HG    LEU   67 - HA    LYS+  66   6.05 +/- 1.08  11.567% * 24.2594% (0.38   1.0 10.00   4.75  14.35) =   5.595%  kept
          HB3   LEU   67 - HA    LYS+  66   5.80 +/- 0.76  10.595% * 10.7420% (0.95   1.0  1.00   3.51  14.35) =   2.269%  kept
          QB    ALA   61 - HA    LYS+  66   8.70 +/- 1.05   2.483% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - HA    LYS+  66  14.50 +/- 1.55   0.671% *  0.0611% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  66  13.49 +/- 3.03   0.779% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.22 +/- 3.70   0.716% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  18.28 +/- 3.12   0.432% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  15.45 +/- 1.81   0.488% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  20.99 +/- 4.06   0.322% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  24.89 +/- 2.69   0.109% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  20.55 +/- 3.52   0.350% *  0.0113% (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 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.983, support = 4.54, residual support = 112.9:
    *   T QD    LYS+  66 - HA    LYS+  66   3.08 +/- 0.74  61.519% * 85.3794% (1.00 10.00   4.55 118.37) =  93.798%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.58 +/- 1.15  25.378% * 13.6391% (0.73  1.00   4.40  30.49) =   6.181%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  17.38 +/- 4.19   0.931% *  0.6837% (0.80 10.00   0.02   0.02) =   0.011%
          HD3   LYS+  74 - HA    LYS+  66  11.45 +/- 4.14   7.668% *  0.0449% (0.53  1.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - HA    LYS+  66  11.97 +/- 3.10   2.735% *  0.0320% (0.38  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+  66  16.01 +/- 2.72   0.663% *  0.0552% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  17.16 +/- 3.99   0.543% *  0.0586% (0.69  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+  66  20.04 +/- 3.34   0.283% *  0.0586% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.84 +/- 2.41   0.280% *  0.0483% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.3, residual support = 118.4:
    *   T QE    LYS+  66 - HA    LYS+  66   4.17 +/- 0.57  86.579% * 99.6609% (1.00 10.00   4.30 118.37) =  99.986%  kept
        T HB2   ASP-  76 - HA    LYS+  66  16.51 +/- 3.87   3.989% *  0.2219% (0.22 10.00   0.02   0.02) =   0.010%
          HB2   ASN   69 - HA    LYS+  66  10.21 +/- 1.22   8.758% *  0.0308% (0.31  1.00   0.02   0.02) =   0.003%
          HB3   ASN   35 - HA    LYS+  66  22.36 +/- 2.03   0.674% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.18, residual support = 118.4:
    * O T HA    LYS+  66 - QB    LYS+  66   2.34 +/- 0.14  97.525% * 99.9488% (1.00  10.0 10.00   5.18 118.37) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66  12.63 +/- 5.21   2.095% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.74 +/- 2.40   0.179% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  20.63 +/- 3.11   0.201% *  0.0154% (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 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 = 0.978, support = 4.57, residual support = 113.8:
    * O T QG    LYS+  66 - QB    LYS+  66   2.08 +/- 0.03  81.776% * 64.3893% (1.00  10.0 10.00   4.58 118.37) =  95.592%  kept
        T HG    LEU   67 - QB    LYS+  66   5.34 +/- 0.97   7.657% * 24.1660% (0.38   1.0 10.00   4.70  14.35) =   3.359%  kept
          HB3   LEU   67 - QB    LYS+  66   5.40 +/- 0.65   5.432% * 10.5828% (0.95   1.0  1.00   3.47  14.35) =   1.044%  kept
          QB    ALA   61 - QB    LYS+  66   7.43 +/- 1.04   2.244% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 102 - QB    LYS+  66  21.92 +/- 2.68   0.079% *  0.5585% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+  66  11.58 +/- 2.91   0.821% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.39 +/- 1.36   0.360% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  12.45 +/- 2.18   0.550% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.22 +/- 2.90   0.471% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  15.36 +/- 2.88   0.318% *  0.0391% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  19.11 +/- 3.17   0.143% *  0.0417% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  18.64 +/- 2.64   0.149% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.976, support = 4.63, residual support = 110.7:
    * O T QD    LYS+  66 - QB    LYS+  66   2.18 +/- 0.18  84.155% * 57.5492% (1.00  10.0 10.00   4.65 118.37) =  91.279%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.49 +/- 1.29  11.061% * 41.7893% (0.73   1.0 10.00   4.43  30.49) =   8.712%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  14.19 +/- 4.30   0.810% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HD3   LYS+  74 - QB    LYS+  66  10.74 +/- 3.10   1.263% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66  14.06 +/- 4.09   0.882% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QB    LYS+  66  11.32 +/- 2.15   0.831% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  14.63 +/- 2.64   0.472% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  17.33 +/- 3.19   0.300% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  17.25 +/- 2.48   0.226% *  0.0326% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 118.4:
    *   T QE    LYS+  66 - QB    LYS+  66   3.24 +/- 0.51  88.564% * 99.6609% (1.00 10.00   4.47 118.37) =  99.993%  kept
        T HB2   ASP-  76 - QB    LYS+  66  15.16 +/- 2.60   1.409% *  0.2219% (0.22 10.00   0.02   0.02) =   0.004%
          HB2   ASN   69 - QB    LYS+  66   9.08 +/- 1.51   9.440% *  0.0308% (0.31  1.00   0.02   0.02) =   0.003%
          HB3   ASN   35 - QB    LYS+  66  19.99 +/- 2.52   0.587% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.989, support = 4.37, residual support = 117.1:
    * O T HA    LYS+  66 - QG    LYS+  66   2.63 +/- 0.44  77.709% * 92.8046% (1.00  10.0 10.00   4.37 118.37) =  98.769%  kept
        T HA    LYS+  66 - HG    LEU   67   6.05 +/- 1.08  12.573% *  7.1442% (0.08   1.0 10.00   4.75  14.35) =   1.230%  kept
          HA1   GLY   16 - QG    LYS+  66  12.58 +/- 5.33   2.101% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  12.23 +/- 6.99   6.578% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  21.19 +/- 3.47   0.341% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  21.11 +/- 2.33   0.222% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  19.45 +/- 2.32   0.253% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  21.85 +/- 2.72   0.224% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.98, support = 4.62, residual support = 114.8:
    * O T QB    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  62.077% * 79.2954% (1.00  10.0 10.00   4.58 118.37) =  96.093%  kept
          QB    LYS+  65 - QG    LYS+  66   4.43 +/- 1.09  12.720% * 12.9129% (0.57   1.0  1.00   5.75  30.49) =   3.206%  kept
        T QB    LYS+  66 - HG    LEU   67   5.34 +/- 0.97   5.713% *  6.1042% (0.08   1.0 10.00   4.70  14.35) =   0.681%  kept
        T HB    VAL   41 - HG    LEU   67  11.54 +/- 3.43  11.365% *  0.0577% (0.07   1.0 10.00   0.02   0.02) =   0.013%
        T HB    VAL   41 - QG    LYS+  66  14.11 +/- 2.11   0.250% *  0.7501% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU  123 - QG    LYS+  66  12.06 +/- 4.99   1.194% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QG    LYS+  66  19.48 +/- 2.66   0.086% *  0.5447% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG    LYS+  66  15.98 +/- 3.22   0.316% *  0.0711% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  11.90 +/- 1.43   0.394% *  0.0417% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  17.64 +/- 3.39   0.228% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  15.14 +/- 5.98   1.893% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.85 +/- 2.47   0.092% *  0.0662% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.42 +/- 0.89   1.634% *  0.0035% (0.04   1.0  1.00   0.02   0.29) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.40 +/- 2.03   1.589% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  18.19 +/- 3.04   0.113% *  0.0419% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  17.18 +/- 3.37   0.150% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  18.05 +/- 2.49   0.118% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  20.83 +/- 1.63   0.068% *  0.0035% (0.04   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 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 = 4.35, residual support = 115.8:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  71.627% * 79.5307% (1.00  10.0 10.00   4.35 118.37) =  97.139%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.69 +/- 1.76  10.885% * 13.3372% (0.73   1.0  1.00   4.62  30.49) =   2.476%  kept
        T QD    LYS+  66 - HG    LEU   67   6.95 +/- 1.26   3.548% *  6.1223% (0.08   1.0 10.00   4.11  14.35) =   0.370%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  14.51 +/- 4.18   0.934% *  0.6368% (0.80   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   LYS+  74 - HG    LEU   67  10.40 +/- 3.54   4.203% *  0.0230% (0.03   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 121 - HG    LEU   67  15.60 +/- 5.21   1.356% *  0.0490% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG    LYS+  66  11.27 +/- 3.22   1.097% *  0.0418% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QG    LYS+  66  14.39 +/- 3.76   0.468% *  0.0546% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  11.80 +/- 2.52   0.628% *  0.0298% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  15.01 +/- 2.84   0.321% *  0.0514% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  17.83 +/- 3.29   0.150% *  0.0546% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  17.60 +/- 2.61   0.157% *  0.0450% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  10.72 +/- 3.68   1.792% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.85 +/- 1.26   1.252% *  0.0044% (0.06   1.0  1.00   0.02   0.29) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  15.13 +/- 5.52   0.660% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  13.94 +/- 3.11   0.480% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  16.29 +/- 4.22   0.339% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.13 +/- 3.15   0.103% *  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 = 0.989, support = 3.82, residual support = 117.1:
    * O T QE    LYS+  66 - QG    LYS+  66   2.12 +/- 0.11  81.404% * 92.5373% (1.00  10.0 10.00   3.82 118.37) =  98.779%  kept
        T QE    LYS+  66 - HG    LEU   67   7.47 +/- 1.87  13.052% *  7.1236% (0.08   1.0 10.00   3.80  14.35) =   1.219%  kept
        T HB2   ASP-  76 - QG    LYS+  66  15.75 +/- 2.89   0.320% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QG    LYS+  66   9.27 +/- 1.50   1.581% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   35 - QG    LYS+  66  20.46 +/- 2.32   0.104% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.93 +/- 1.52   3.011% *  0.0022% (0.02   1.0  1.00   0.02   2.95) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  15.45 +/- 2.81   0.367% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.57 +/- 2.81   0.159% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 118.4:
    *   T HA    LYS+  66 - QD    LYS+  66   3.08 +/- 0.74  92.001% * 99.8184% (1.00 10.00   4.55 118.37) =  99.997%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  17.38 +/- 4.19   1.334% *  0.1241% (0.12 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QD    LYS+  66  13.25 +/- 5.12   3.648% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD    LYS+  66  21.68 +/- 3.99   0.584% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  21.92 +/- 2.60   0.343% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  19.73 +/- 5.19   1.454% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  23.33 +/- 4.61   0.417% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  26.89 +/- 2.48   0.220% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.972, support = 4.71, residual support = 112.6:
    * O T QB    LYS+  66 - QD    LYS+  66   2.18 +/- 0.18  80.010% * 63.5425% (1.00  10.0 10.00   4.65 118.37) =  93.439%  kept
        T QB    LYS+  65 - QD    LYS+  66   5.03 +/- 0.89   9.915% * 35.9749% (0.57   1.0 10.00   5.58  30.49) =   6.556%  kept
          HG    LEU  123 - QD    LYS+  66  12.36 +/- 5.23   2.640% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  66 - HD2   LYS+ 121  14.19 +/- 4.30   0.761% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD    LYS+  66  16.52 +/- 3.42   0.539% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD    LYS+  66  15.16 +/- 2.21   0.377% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  12.97 +/- 1.49   0.440% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  15.05 +/- 1.84   0.304% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  17.88 +/- 3.74   0.255% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.64 +/- 1.08   1.728% *  0.0045% (0.07   1.0  1.00   0.02   2.43) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  19.86 +/- 2.53   0.131% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  20.39 +/- 2.67   0.119% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  15.02 +/- 5.28   0.549% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  14.69 +/- 3.51   0.456% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  15.22 +/- 5.76   0.549% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.22 +/- 3.59   0.527% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  17.33 +/- 4.68   0.486% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.06 +/- 2.02   0.216% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.988, support = 4.33, residual support = 116.0:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  81.025% * 65.9021% (1.00  10.0 10.00   4.35 118.37) =  97.685%  kept
        T HG    LEU   67 - QD    LYS+  66   6.95 +/- 1.26   3.986% * 24.7338% (0.38   1.0 10.00   4.11  14.35) =   1.804%  kept
          HB3   LEU   67 - QD    LYS+  66   6.96 +/- 1.03   3.149% *  8.7587% (0.95   1.0  1.00   2.81  14.35) =   0.505%  kept
          QB    ALA   61 - QD    LYS+  66   8.35 +/- 1.18   1.607% *  0.0550% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HD2   LYS+ 121  14.51 +/- 4.18   1.044% *  0.0819% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   67 - HD2   LYS+ 121  15.60 +/- 5.21   1.512% *  0.0308% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121  10.21 +/- 1.26   0.819% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HD2   LYS+ 121  13.12 +/- 5.02   0.818% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    LYS+  66  13.17 +/- 3.13   0.563% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  14.75 +/- 1.74   0.288% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  13.48 +/- 2.31   0.539% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  16.06 +/- 2.99   0.352% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.22 +/- 3.00   0.329% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  18.86 +/- 4.99   1.506% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  20.33 +/- 3.61   0.121% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  16.22 +/- 4.69   0.544% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  23.43 +/- 2.95   0.066% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  12.91 +/- 2.07   0.515% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  17.64 +/- 6.95   0.369% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.06 +/- 4.34   0.291% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  19.83 +/- 3.22   0.131% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.98 +/- 1.35   0.304% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  25.75 +/- 4.78   0.059% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  25.05 +/- 4.42   0.062% *  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 = 3.85, residual support = 118.4:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  95.210% * 99.4957% (1.00  10.0 10.00   3.85 118.37) =  99.997%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  15.31 +/- 4.67   1.093% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  66  16.33 +/- 3.31   0.383% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66  10.03 +/- 1.92   2.551% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   35 - QD    LYS+  66  21.30 +/- 2.59   0.111% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  23.42 +/- 2.17   0.075% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  16.89 +/- 5.56   0.455% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  21.69 +/- 4.59   0.122% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 118.4:
    *   T HA    LYS+  66 - QE    LYS+  66   4.17 +/- 0.57  75.439% * 99.7309% (1.00 10.00   4.30 118.37) =  99.989%  kept
        T HA    LYS+  66 - HB2   ASP-  76  16.51 +/- 3.87   3.390% *  0.2073% (0.21 10.00   0.02   0.02) =   0.009%
          HA1   GLY   16 - QE    LYS+  66  13.31 +/- 4.73   5.205% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.34 +/- 0.89  13.153% *  0.0032% (0.03  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QE    LYS+  66  22.58 +/- 4.11   1.048% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  22.12 +/- 2.41   0.602% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  22.41 +/- 5.97   0.759% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.27 +/- 2.26   0.403% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.978, support = 4.48, residual support = 113.9:
    *   T QB    LYS+  66 - QE    LYS+  66   3.24 +/- 0.51  56.229% * 87.6861% (1.00 10.00   4.47 118.37) =  94.916%  kept
          QB    LYS+  65 - QE    LYS+  66   5.73 +/- 1.38  22.698% * 11.5892% (0.57  1.00   4.67  30.49) =   5.064%  kept
          HG    LEU  123 - QE    LYS+  66  12.16 +/- 5.48  10.691% *  0.0496% (0.57  1.00   0.02   0.02) =   0.010%
        T QB    LYS+  66 - HB2   ASP-  76  15.16 +/- 2.60   0.827% *  0.1823% (0.21 10.00   0.02   0.02) =   0.003%
          HG2   PRO   93 - QE    LYS+  66  17.20 +/- 3.48   0.933% *  0.0786% (0.90  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  66  15.65 +/- 2.28   0.763% *  0.0829% (0.95  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  66  13.31 +/- 1.69   1.090% *  0.0461% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QE    LYS+  66  18.52 +/- 4.10   0.702% *  0.0496% (0.57  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+  66  20.32 +/- 2.84   0.290% *  0.0732% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  13.06 +/- 2.96   1.726% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  20.69 +/- 3.00   0.280% *  0.0602% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  14.80 +/- 1.79   0.858% *  0.0163% (0.19  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  15.04 +/- 2.35   0.712% *  0.0172% (0.20  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  17.28 +/- 2.83   0.516% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.12 +/- 3.40   0.606% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.35 +/- 2.22   0.555% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  19.52 +/- 2.82   0.346% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.09 +/- 3.10   0.177% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.41 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 = 0.964, support = 3.82, residual support = 112.0:
    * O T QG    LYS+  66 - QE    LYS+  66   2.12 +/- 0.11  66.579% * 65.5908% (1.00  10.0 10.00   3.82 118.37) =  93.861%  kept
        T HG    LEU   67 - QE    LYS+  66   7.47 +/- 1.87  10.786% * 24.6170% (0.38   1.0 10.00   3.80  14.35) =   5.707%  kept
          HB3   LEU   67 - QE    LYS+  66   7.62 +/- 1.24   2.165% *  9.1499% (0.95   1.0  1.00   2.95  14.35) =   0.426%  kept
          QB    ALA   61 - QE    LYS+  66   8.82 +/- 1.35   1.357% *  0.0548% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HB2   ASP-  76  15.75 +/- 2.89   0.257% *  0.1364% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HB2   ASP-  76   7.55 +/- 1.82   3.652% *  0.0088% (0.13   1.0  1.00   0.02   1.31) =   0.001%
          HB2   LEU   80 - HB2   ASP-  76   6.40 +/- 1.52  10.656% *  0.0024% (0.04   1.0  1.00   0.02   1.31) =   0.001%
        T HG    LEU   67 - HB2   ASP-  76  15.45 +/- 2.81   0.303% *  0.0512% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  15.35 +/- 2.32   0.216% *  0.0620% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.43 +/- 3.44   0.398% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  13.97 +/- 2.61   0.361% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  16.50 +/- 3.09   0.228% *  0.0398% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  11.79 +/- 2.85   0.761% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  14.59 +/- 2.69   0.241% *  0.0345% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.62 +/- 1.96   0.617% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  14.80 +/- 2.63   0.364% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  21.19 +/- 3.91   0.098% *  0.0424% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  23.77 +/- 3.24   0.054% *  0.0569% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  16.84 +/- 6.01   0.223% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  16.73 +/- 2.17   0.171% *  0.0083% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  17.86 +/- 2.33   0.204% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  20.70 +/- 3.52   0.098% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  22.49 +/- 3.18   0.076% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  17.54 +/- 1.80   0.135% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 3.87, residual support = 115.8:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  73.644% * 85.4270% (1.00  10.0 10.00   3.85 118.37) =  97.061%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.00 +/- 2.14  14.372% * 13.1962% (0.73   1.0  1.00   4.25  30.49) =   2.926%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  15.31 +/- 4.67   0.859% *  0.6840% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  66 - HB2   ASP-  76  16.33 +/- 3.31   0.252% *  0.1776% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QE    LYS+  66  12.75 +/- 3.61   0.934% *  0.0449% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB2   ASP-  76   6.99 +/- 1.98   3.915% *  0.0093% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QE    LYS+  66  15.18 +/- 4.04   0.397% *  0.0587% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.10 +/- 1.70   3.179% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  15.93 +/- 3.15   0.371% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  13.39 +/- 2.83   0.463% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  23.42 +/- 2.17   0.058% *  0.1422% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  19.09 +/- 3.47   0.133% *  0.0587% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  18.43 +/- 3.05   0.153% *  0.0484% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  13.09 +/- 5.04   0.627% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  14.33 +/- 3.81   0.407% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  20.92 +/- 3.27   0.103% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.45 +/- 2.04   0.076% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  23.23 +/- 2.23   0.058% *  0.0122% (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 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 = 2.96, residual support = 42.3:
    * O T HB2   PRO   68 - HA    PRO   68   2.63 +/- 0.19  98.732% * 98.6006% (0.84  10.0 10.00   2.96  42.29) =  99.994%  kept
        T HB    VAL   24 - HA    PRO   68  20.78 +/- 4.32   0.459% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          HG3   GLU- 100 - HA    PRO   68  18.30 +/- 3.73   0.445% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  18.08 +/- 2.26   0.365% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.96, residual support = 42.3:
    * O T HA    PRO   68 - HB2   PRO   68   2.63 +/- 0.19  99.537% * 99.1920% (0.84  10.0 10.00   2.96  42.29) =  99.996%  kept
        T HA    PRO   68 - HB    VAL   24  20.78 +/- 4.32   0.463% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.1:
    * O T HB2   ASN   69 - HA    ASN   69   2.57 +/- 0.14  92.365% * 99.7955% (1.00  10.0 10.00   3.31  59.08) =  99.998%  kept
          QE    LYS+  33 - HA    ASN   69  13.42 +/- 3.75   4.917% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HA    ASN   69   9.89 +/- 1.51   2.200% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   69  18.84 +/- 3.01   0.329% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  22.60 +/- 3.25   0.189% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.1:
    * O T HB3   ASN   69 - HA    ASN   69   2.65 +/- 0.30  95.785% * 99.7714% (1.00  10.0 10.00   3.00  59.08) =  99.997%  kept
          HB2   PHE   72 - HA    ASN   69   9.97 +/- 1.33   2.394% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    ASN   69  12.75 +/- 2.64   1.530% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HA    ASN   69  20.34 +/- 2.97   0.291% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.1:
    * O T HA    ASN   69 - HB2   ASN   69   2.57 +/- 0.14  99.011% * 99.8126% (1.00  10.0 10.00   3.31  59.08) =  99.999%  kept
          HA    VAL   43 - HB2   ASN   69  14.34 +/- 1.20   0.629% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB2   ASN   69  20.50 +/- 3.80   0.361% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.1:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.186% * 99.7714% (1.00  10.0 10.00   3.97  59.08) =  99.999%  kept
          HB2   PHE   72 - HB2   ASN   69  11.03 +/- 1.20   0.468% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  14.09 +/- 2.39   0.268% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  21.19 +/- 3.18   0.078% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.1:
    * O T HA    ASN   69 - HB3   ASN   69   2.65 +/- 0.30  98.777% * 99.8126% (1.00  10.0 10.00   3.00  59.08) =  99.999%  kept
          HA    VAL   43 - HB3   ASN   69  14.26 +/- 1.40   0.838% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  20.43 +/- 4.09   0.385% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.1:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  98.210% * 99.7955% (1.00  10.0 10.00   3.97  59.08) =  99.999%  kept
          QE    LYS+  66 - HB3   ASN   69   9.60 +/- 1.63   0.829% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  14.25 +/- 3.93   0.825% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  20.01 +/- 2.73   0.084% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  23.57 +/- 3.03   0.051% *  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 = 4.41, residual support = 79.9:
    * O T HB    VAL   70 - HA    VAL   70   2.92 +/- 0.19  78.861% * 97.2460% (1.00  10.0 10.00   4.41  79.92) =  99.946%  kept
        T QG    GLN   17 - HA    VAL   70  11.96 +/- 5.54   3.542% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.044%
        T HB    VAL   70 - HA    SER   48  19.49 +/- 3.46   0.518% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLN   17 - HA    SER   48  20.31 +/- 5.91   0.465% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   SER   82  23.15 +/- 2.60   0.189% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLN   17 - HB2   SER   82  24.85 +/- 6.71   0.188% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    VAL   70  12.67 +/- 2.33   1.163% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  19.35 +/-10.69   1.145% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70  13.26 +/- 3.94   1.511% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48   9.77 +/- 3.45   6.702% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  11.64 +/- 2.54   1.744% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  19.73 +/- 2.30   0.304% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  16.02 +/- 3.86   0.745% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  12.01 +/- 1.17   1.316% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  17.18 +/- 1.64   0.459% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.16 +/- 1.27   0.435% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  23.69 +/- 5.63   0.251% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.19 +/- 6.56   0.188% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  28.40 +/- 4.89   0.109% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  29.35 +/- 2.74   0.088% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  30.66 +/- 2.58   0.079% *  0.0044% (0.05   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 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.82, residual support = 75.4:
    * O T QG1   VAL   70 - HA    VAL   70   2.52 +/- 0.32  62.603% * 78.2218% (1.00  10.0 10.00   4.77  79.92) =  90.046%  kept
          QD1   LEU   71 - HA    VAL   70   4.49 +/- 1.14  27.760% * 19.4278% (0.92   1.0  1.00   5.38  34.76) =   9.917%  kept
        T QG1   VAL   18 - HA    VAL   70  10.16 +/- 4.67   1.871% *  0.7667% (0.98   1.0 10.00   0.02   0.02) =   0.026%
          HB3   LEU   63 - HA    VAL   70   8.64 +/- 1.96   2.627% *  0.0443% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - HA    SER   48  15.35 +/- 6.11   0.565% *  0.1747% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - HB2   SER   82  19.65 +/- 7.57   0.238% *  0.3715% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   70  12.04 +/- 3.51   1.040% *  0.0722% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - HA    SER   48  17.12 +/- 3.28   0.343% *  0.1782% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - HB2   SER   82  20.22 +/- 1.92   0.127% *  0.3791% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   70  13.26 +/- 3.48   0.852% *  0.0474% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  123 - HA    SER   48  19.58 +/- 3.57   0.233% *  0.1645% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    SER   48  16.18 +/- 4.80   1.091% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  20.27 +/- 3.58   0.143% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.48 +/- 2.07   0.152% *  0.0165% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  25.45 +/- 3.05   0.070% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  23.75 +/- 5.29   0.104% *  0.0230% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  23.29 +/- 3.00   0.098% *  0.0215% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  24.85 +/- 3.20   0.084% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.1, residual support = 79.9:
    * O T QG2   VAL   70 - HA    VAL   70   2.35 +/- 0.25  99.267% * 99.2926% (0.80  10.0 10.00   4.10  79.92) =  99.998%  kept
        T QG2   VAL   70 - HB2   SER   82  18.73 +/- 2.31   0.253% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HA    SER   48  16.42 +/- 2.52   0.480% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.41, residual support = 79.6:
    * O T HA    VAL   70 - HB    VAL   70   2.92 +/- 0.19  55.035% * 95.1970% (1.00  10.0 10.00   4.41  79.92) =  99.118%  kept
          HA    VAL   18 - QG    GLN   17   4.89 +/- 0.77  14.622% *  2.7240% (0.13   1.0  1.00   4.49  50.49) =   0.754%  kept
          HA1   GLY   16 - QG    GLN   17   5.20 +/- 0.43  10.814% *  0.5041% (0.04   1.0  1.00   2.88  17.53) =   0.103%  kept
        T HA    VAL   70 - QG    GLN   17  11.96 +/- 5.54   2.405% *  0.1768% (0.19   1.0 10.00   0.02   0.02) =   0.008%
          HA    VAL   18 - HB    VAL   70   9.93 +/- 5.94   5.694% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HB    VAL   70  11.99 +/- 2.94   1.896% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HB    VAL   70  19.49 +/- 3.46   0.355% *  0.2374% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB    VAL   70  14.30 +/- 3.07   0.819% *  0.0952% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - HB    VAL   70  23.15 +/- 2.60   0.131% *  0.5774% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70  11.67 +/- 6.58   3.196% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   70  15.81 +/- 2.34   0.559% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   70  17.05 +/- 2.03   0.348% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  14.77 +/- 3.60   1.353% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.06 +/- 3.75   0.966% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  20.31 +/- 5.91   0.316% *  0.0441% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  24.85 +/- 6.71   0.130% *  0.1073% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  14.16 +/- 5.13   1.057% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  19.80 +/- 4.32   0.302% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 5.17, residual support = 79.1:
    * O T QG1   VAL   70 - HB    VAL   70   2.12 +/- 0.02  67.338% * 76.9429% (1.00  10.0 10.00   5.17  79.92) =  97.966%  kept
          QD1   LEU   71 - HB    VAL   70   6.29 +/- 1.02   3.597% * 19.5234% (0.92   1.0  1.00   5.50  34.76) =   1.328%  kept
          QG1   VAL   18 - QG    GLN   17   5.22 +/- 0.95  11.708% *  3.1110% (0.18   1.0  1.00   4.44  50.49) =   0.689%  kept
          HB3   LEU   63 - HB    VAL   70   6.43 +/- 1.76   8.402% *  0.0436% (0.57   1.0  1.00   0.02   0.02) =   0.007%
        T QG1   VAL   70 - QG    GLN   17  10.29 +/- 4.31   1.758% *  0.1429% (0.19   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HB    VAL   70   9.31 +/- 4.92   2.440% *  0.0754% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HB    VAL   70  11.11 +/- 3.33   0.909% *  0.0710% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG    GLN   17  10.30 +/- 5.93   2.428% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  13.70 +/- 3.40   0.492% *  0.0467% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  14.91 +/- 2.86   0.328% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  13.31 +/- 4.41   0.478% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.65 +/- 3.59   0.122% *  0.0087% (0.11   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 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 79.9:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.01  97.352% * 99.8146% (0.80  10.0 10.00   4.31  79.92) =  99.995%  kept
        T QG2   VAL   70 - QG    GLN   17  10.21 +/- 4.16   2.648% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.76, residual support = 79.8:
    * O T HA    VAL   70 - QG1   VAL   70   2.52 +/- 0.32  75.655% * 98.1637% (1.00  10.0 10.00   4.77  79.92) =  99.909%  kept
        T HA    VAL   18 - QG1   VAL   70   9.06 +/- 4.44   8.816% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.080%
          HB2   SER   37 - QG1   VAL   70   9.99 +/- 2.81   5.925% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN  116 - QG1   VAL   70  11.77 +/- 2.46   1.307% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70   9.84 +/- 5.17   6.406% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG1   VAL   70  17.12 +/- 3.28   0.418% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - QG1   VAL   70  20.22 +/- 1.92   0.167% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   70  13.38 +/- 2.36   0.814% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  14.69 +/- 2.19   0.491% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 79.9:
    * O T HB    VAL   70 - QG1   VAL   70   2.12 +/- 0.02  93.752% * 98.7774% (1.00  10.0 10.00   5.17  79.92) =  99.970%  kept
        T QG    GLN   17 - QG1   VAL   70  10.29 +/- 4.31   2.698% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.029%
          HB2   MET   96 - QG1   VAL   70  10.48 +/- 2.20   1.024% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG1   VAL   70  12.12 +/- 3.11   0.879% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  17.40 +/- 2.40   0.229% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  11.18 +/- 2.37   1.034% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  14.22 +/- 1.79   0.384% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.77, residual support = 79.9:
    * O T QG2   VAL   70 - QG1   VAL   70   2.03 +/- 0.08 100.000% *100.0000% (0.80  10.0 10.00   4.77  79.92) = 100.000%  kept
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 63.87 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 4.09, residual support = 79.7:
    * O T HA    VAL   70 - QG2   VAL   70   2.35 +/- 0.25  76.125% * 97.3640% (0.80  10.0 10.00   4.10  79.92) =  99.711%  kept
          HA    VAL   18 - QG2   VAL   70   8.28 +/- 4.58  13.992% *  1.4835% (0.55   1.0  1.00   0.44   0.02) =   0.279%  kept
          HA    GLN  116 - QG2   VAL   70  11.67 +/- 2.66   2.095% *  0.0974% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   SER   82 - QG2   VAL   70  18.73 +/- 2.31   0.193% *  0.5905% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG2   VAL   70   9.15 +/- 2.12   2.356% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG2   VAL   70  12.03 +/- 1.95   1.256% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - QG2   VAL   70  16.42 +/- 2.52   0.366% *  0.2428% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG2   VAL   70  10.13 +/- 4.86   2.961% *  0.0193% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  13.12 +/- 1.61   0.657% *  0.0707% (0.58   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 79.9:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.01  93.097% * 98.7774% (0.80  10.0 10.00   4.31  79.92) =  99.971%  kept
        T QG    GLN   17 - QG2   VAL   70  10.21 +/- 4.16   2.533% *  0.9790% (0.79   1.0 10.00   0.02   0.02) =   0.027%
          HB2   MET   96 - QG2   VAL   70   8.68 +/- 2.01   1.798% *  0.0755% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   VAL   70  11.04 +/- 2.81   1.036% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  15.90 +/- 1.57   0.247% *  0.0934% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.65 +/- 1.72   0.859% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  13.02 +/- 1.01   0.429% *  0.0246% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.799, support = 4.79, residual support = 78.8:
    * O T QG1   VAL   70 - QG2   VAL   70   2.03 +/- 0.08  78.072% * 77.3749% (0.80  10.0 10.00   4.77  79.92) =  97.527%  kept
          QD1   LEU   71 - QG2   VAL   70   4.87 +/- 0.63   7.030% * 20.8034% (0.74   1.0  1.00   5.83  34.76) =   2.361%  kept
          QG1   VAL   18 - QG2   VAL   70   7.75 +/- 3.74   3.848% *  1.6595% (0.78   1.0  1.00   0.44   0.02) =   0.103%  kept
          HB3   LEU   63 - QG2   VAL   70   5.83 +/- 1.42   7.651% *  0.0438% (0.45   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - QG2   VAL   70   9.23 +/- 2.54   1.421% *  0.0714% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - QG2   VAL   70   9.89 +/- 2.83   1.979% *  0.0469% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 63.87 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.64)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 140.5:
    * O T HB2   LEU   71 - HA    LEU   71   2.65 +/- 0.30  82.013% * 99.5520% (1.00  10.0 10.00   5.31 140.54) =  99.988%  kept
          HB3   GLN   17 - HA    LEU   71  11.07 +/- 7.56   6.244% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   41 - HA    LEU   71   7.84 +/- 1.56   6.511% *  0.0340% (0.34   1.0  1.00   0.02   2.81) =   0.003%
          QB    LYS+  65 - HA    LEU   71  10.00 +/- 1.04   1.906% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HA    LEU   71  10.02 +/- 1.33   1.933% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    LEU   71  15.43 +/- 2.42   0.542% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   71  19.75 +/- 2.24   0.249% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.76 +/- 2.03   0.602% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 140.5:
    * O T HB3   LEU   71 - HA    LEU   71   2.53 +/- 0.25  98.028% * 99.6783% (1.00  10.0 10.00   4.31 140.54) =  99.999%  kept
          QG2   THR   94 - HA    LEU   71  13.78 +/- 1.36   0.808% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    LEU   71  21.09 +/- 3.93   0.429% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  21.10 +/- 3.68   0.369% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  22.00 +/- 2.49   0.205% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  24.17 +/- 3.27   0.161% *  0.0447% (0.45   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 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 4.33, residual support = 132.2:
    *   T QD1   LEU   71 - HA    LEU   71   3.70 +/- 0.37  54.604% * 81.5255% (1.00 10.00   4.30 140.54) =  92.195%  kept
          QG1   VAL   70 - HA    LEU   71   5.34 +/- 0.61  20.663% * 17.9939% (0.92  1.00   4.78  34.76) =   7.700%  kept
          QG1   VAL   18 - HA    LEU   71   8.81 +/- 6.18  15.061% *  0.3031% (0.84  1.00   0.09   0.02) =   0.095%
          HB3   LEU  104 - HA    LEU   71  14.76 +/- 3.24   3.838% *  0.0681% (0.84  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - HA    LEU   71  13.98 +/- 3.06   1.557% *  0.0815% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HA    LEU   71  10.01 +/- 1.98   4.276% *  0.0278% (0.34  1.00   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 4.97, residual support = 139.4:
    *   T QD2   LEU   71 - HA    LEU   71   2.68 +/- 0.60  65.235% * 94.2388% (1.00 10.00   5.00 140.54) =  99.202%  kept
          QD1   LEU   67 - HA    LEU   71   6.15 +/- 1.96  23.121% *  1.7291% (0.45  1.00   0.82   0.02) =   0.645%  kept
          HG3   LYS+  74 - HA    LEU   71  10.04 +/- 1.90   2.385% *  3.7659% (0.69  1.00   1.16   0.84) =   0.145%  kept
          QD2   LEU   40 - HA    LEU   71   7.75 +/- 1.82   5.737% *  0.0387% (0.41  1.00   0.02   1.80) =   0.004%
          QG2   ILE  119 - HA    LEU   71  13.68 +/- 2.75   1.812% *  0.0817% (0.87  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LEU   71  13.30 +/- 1.97   0.742% *  0.0924% (0.98  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  13.48 +/- 1.88   0.968% *  0.0534% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.36 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 = 140.5:
    * O T HA    LEU   71 - HB2   LEU   71   2.65 +/- 0.30  93.155% * 99.9402% (1.00  10.0 10.00   5.31 140.54) =  99.998%  kept
          HA    VAL   43 - HB2   LEU   71   9.93 +/- 2.37   5.378% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB2   LEU   71  12.87 +/- 5.11   1.467% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 140.5:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.459% * 99.6783% (1.00  10.0 10.00   4.97 140.54) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  14.39 +/- 2.23   0.264% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  22.31 +/- 4.39   0.090% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  22.23 +/- 4.08   0.084% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  22.99 +/- 3.13   0.057% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  25.10 +/- 3.70   0.045% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.21, residual support = 139.0:
    * O T QD1   LEU   71 - HB2   LEU   71   2.32 +/- 0.19  86.174% * 79.9272% (1.00  10.0 10.00   5.20 140.54) =  98.577%  kept
          QG1   VAL   70 - HB2   LEU   71   6.21 +/- 0.52   4.985% * 19.8321% (0.92   1.0  1.00   5.38  34.76) =   1.415%  kept
          HB3   LEU  104 - HB2   LEU   71  14.18 +/- 3.88   4.673% *  0.0668% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HB2   LEU   71  10.36 +/- 5.72   2.500% *  0.0668% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB2   LEU   71  14.44 +/- 3.37   0.620% *  0.0799% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU   71  11.62 +/- 1.97   1.048% *  0.0273% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.41, residual support = 139.9:
    * O T QD2   LEU   71 - HB2   LEU   71   3.14 +/- 0.21  70.920% * 96.6962% (1.00  10.0 10.00   5.43 140.54) =  99.513%  kept
          QD1   LEU   67 - HB2   LEU   71   7.77 +/- 1.74  10.490% *  1.7742% (0.45   1.0  1.00   0.82   0.02) =   0.270%  kept
          QD2   LEU   40 - HB2   LEU   71   7.31 +/- 2.28  11.725% *  1.2298% (0.41   1.0  1.00   0.62   1.80) =   0.209%  kept
          QD1   ILE  103 - HB2   LEU   71  12.98 +/- 2.87   1.759% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HB2   LEU   71  14.36 +/- 2.91   1.478% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB2   LEU   71  12.02 +/- 1.88   1.815% *  0.0664% (0.69   1.0  1.00   0.02   0.84) =   0.002%
          QG2   ILE  103 - HB2   LEU   71  13.20 +/- 2.69   1.813% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 140.5:
    * O T HA    LEU   71 - HB3   LEU   71   2.53 +/- 0.25  95.251% * 99.9402% (1.00  10.0 10.00   4.31 140.54) =  99.999%  kept
          HA    VAL   43 - HB3   LEU   71  10.17 +/- 1.86   3.178% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB3   LEU   71  12.36 +/- 5.18   1.571% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 140.5:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  93.161% * 99.3538% (1.00  10.0 10.00   4.97 140.54) =  99.996%  kept
          HB    VAL   41 - HB3   LEU   71   7.79 +/- 2.19   4.117% *  0.0339% (0.34   1.0  1.00   0.02   2.81) =   0.002%
          HB3   GLN   17 - HB3   LEU   71  11.84 +/- 7.53   1.490% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  14.68 +/- 2.66   0.243% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB3   LEU   71  11.82 +/- 1.03   0.331% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  14.84 +/- 2.92   0.212% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.73 +/- 1.40   0.385% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  21.40 +/- 2.61   0.061% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.0, residual support = 138.4:
    * O T QD1   LEU   71 - HB3   LEU   71   2.62 +/- 0.43  82.331% * 81.6939% (1.00  10.0 10.00   3.98 140.54) =  97.962%  kept
          QG1   VAL   70 - HB3   LEU   71   6.44 +/- 0.64   7.714% * 18.0601% (0.92   1.0  1.00   4.79  34.76) =   2.029%  kept
          QG1   VAL   18 - HB3   LEU   71  10.03 +/- 5.82   5.219% *  0.0682% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU  104 - HB3   LEU   71  14.66 +/- 3.77   2.222% *  0.0682% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB3   LEU   71  14.79 +/- 3.13   0.742% *  0.0817% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU   71  11.74 +/- 2.12   1.772% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 140.2:
    * O T QD2   LEU   71 - HB3   LEU   71   2.53 +/- 0.20  73.731% * 97.4351% (1.00  10.0 10.00   4.43 140.54) =  99.739%  kept
          QD1   LEU   67 - HB3   LEU   71   7.89 +/- 1.80   5.969% *  1.7877% (0.45   1.0  1.00   0.82   0.02) =   0.148%  kept
          QD2   LEU   40 - HB3   LEU   71   7.78 +/- 2.36  16.574% *  0.4750% (0.41   1.0  1.00   0.24   1.80) =   0.109%  kept
          HG3   LYS+  74 - HB3   LEU   71  11.74 +/- 1.85   1.198% *  0.0669% (0.69   1.0  1.00   0.02   0.84) =   0.001%
          QG2   ILE  119 - HB3   LEU   71  14.69 +/- 2.91   0.926% *  0.0845% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB3   LEU   71  13.26 +/- 2.56   0.814% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB3   LEU   71  13.56 +/- 2.42   0.788% *  0.0552% (0.57   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 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 140.5:
    *   T HA    LEU   71 - QD1   LEU   71   3.70 +/- 0.37  83.094% * 99.9402% (1.00 10.00   4.30 140.54) =  99.995%  kept
          HA    VAL   43 - QD1   LEU   71   9.72 +/- 1.97  13.233% *  0.0223% (0.22  1.00   0.02   0.02) =   0.004%
          HA    ALA   20 - QD1   LEU   71  12.10 +/- 3.96   3.673% *  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 = 5.2, residual support = 140.5:
    * O T HB2   LEU   71 - QD1   LEU   71   2.32 +/- 0.19  76.658% * 99.5520% (1.00  10.0 10.00   5.20 140.54) =  99.987%  kept
          HB    VAL   41 - QD1   LEU   71   7.16 +/- 2.06  16.323% *  0.0340% (0.34   1.0  1.00   0.02   2.81) =   0.007%
          HB3   GLN   17 - QD1   LEU   71  11.07 +/- 6.08   2.550% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QD1   LEU   71  12.25 +/- 2.97   0.953% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QD1   LEU   71  10.91 +/- 1.08   0.805% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU   71  10.43 +/- 1.81   1.482% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QD1   LEU   71  12.55 +/- 2.84   1.048% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  18.89 +/- 2.21   0.182% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 140.5:
    * O T HB3   LEU   71 - QD1   LEU   71   2.62 +/- 0.43  97.273% * 99.6783% (1.00  10.0 10.00   3.98 140.54) =  99.998%  kept
          QG2   THR   94 - QD1   LEU   71  13.00 +/- 1.82   0.965% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   LEU   71  19.69 +/- 3.50   0.686% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD1   LEU   71  19.65 +/- 3.25   0.544% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.98 +/- 3.18   0.287% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  20.47 +/- 2.49   0.245% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.41, residual support = 140.2:
    * O T QD2   LEU   71 - QD1   LEU   71   2.04 +/- 0.07  81.462% * 97.8029% (1.00  10.0 10.00   4.42 140.54) =  99.736%  kept
          QD2   LEU   40 - QD1   LEU   71   6.42 +/- 2.17  11.133% *  1.8500% (0.41   1.0  1.00   0.92   1.80) =   0.258%  kept
          QD1   LEU   67 - QD1   LEU   71   7.45 +/- 1.60   3.061% *  0.0438% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - QD1   LEU   71  11.40 +/- 2.01   1.607% *  0.0672% (0.69   1.0  1.00   0.02   0.84) =   0.001%
          QD1   ILE  103 - QD1   LEU   71  11.34 +/- 2.57   0.829% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - QD1   LEU   71  12.42 +/- 2.70   0.875% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD1   LEU   71  11.52 +/- 2.47   1.032% *  0.0554% (0.57   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 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 140.5:
    *   T HA    LEU   71 - QD2   LEU   71   2.68 +/- 0.60  90.037% * 99.9402% (1.00 10.00   5.00 140.54) =  99.997%  kept
          HA    VAL   43 - QD2   LEU   71   8.74 +/- 1.87   6.825% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - QD2   LEU   71  10.72 +/- 3.85   3.137% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 140.5:
    * O T HB2   LEU   71 - QD2   LEU   71   3.14 +/- 0.21  70.082% * 99.3538% (1.00  10.0 10.00   5.43 140.54) =  99.972%  kept
          HB3   GLN   17 - QD2   LEU   71  10.35 +/- 5.70   9.229% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.009%
          HB    VAL   41 - QD2   LEU   71   7.02 +/- 1.69  11.109% *  0.0339% (0.34   1.0  1.00   0.02   2.81) =   0.005%
        T HG12  ILE  103 - QD2   LEU   71  12.57 +/- 2.33   1.427% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - QD2   LEU   71   9.69 +/- 1.07   2.914% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - QD2   LEU   71   9.59 +/- 1.35   3.373% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - QD2   LEU   71  12.62 +/- 2.64   1.419% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QD2   LEU   71  17.82 +/- 2.06   0.445% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 140.5:
    * O T HB3   LEU   71 - QD2   LEU   71   2.53 +/- 0.20  96.827% * 99.2790% (1.00  10.0 10.00   4.43 140.54) =  99.997%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  21.19 +/- 3.32   0.276% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - QD2   LEU   71  12.39 +/- 1.46   1.289% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD2   LEU   71  18.73 +/- 3.81   0.643% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD2   LEU   71  18.77 +/- 3.53   0.546% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  19.60 +/- 2.26   0.419% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.43, residual support = 138.5:
    * O T QD1   LEU   71 - QD2   LEU   71   2.04 +/- 0.07  85.680% * 81.7003% (1.00  10.0 10.00   4.42 140.54) =  98.114%  kept
          QG1   VAL   70 - QD2   LEU   71   5.19 +/- 1.04   7.433% * 18.0537% (0.92   1.0  1.00   4.79  34.76) =   1.881%  kept
          QG1   VAL   18 - QD2   LEU   71   8.62 +/- 4.54   2.886% *  0.0682% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - QD2   LEU   71  12.38 +/- 2.87   1.235% *  0.0682% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD2   LEU   71  11.96 +/- 2.71   0.787% *  0.0817% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71   9.64 +/- 1.92   1.979% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.98, residual support = 90.3:
    * O T HB2   PHE   72 - HA    PHE   72   2.56 +/- 0.17  91.341% * 94.7953% (0.64  10.0 10.00   3.99  90.50) =  99.558%  kept
          HA    ALA   64 - HA    PHE   72   7.06 +/- 1.04   7.433% *  5.1621% (0.55   1.0  1.00   1.25  45.58) =   0.441%  kept
          HB3   ASN   69 - HA    PHE   72  11.15 +/- 0.69   1.226% *  0.0426% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.55, residual support = 90.5:
    * O T HB3   PHE   72 - HA    PHE   72   2.60 +/- 0.15  83.835% * 99.4196% (0.66  10.0 10.00   4.55  90.50) =  99.983%  kept
          HB2   ASP-  44 - HA    PHE   72   8.31 +/- 1.87   7.021% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.009%
          QG    GLU-  15 - HA    PHE   72  12.38 +/- 5.25   1.989% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - HA    PHE   72  13.78 +/- 3.74   4.258% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - HA    PHE   72  13.02 +/- 5.36   1.607% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.002%
          QB    MET   11 - HA    PHE   72  19.17 +/- 3.29   0.275% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  20.05 +/- 1.55   0.201% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.35 +/- 2.56   0.813% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 3.99, residual support = 90.5:
    * O T HA    PHE   72 - HB2   PHE   72   2.56 +/- 0.17 100.000% *100.0000% (0.64  10.0 10.00   3.99  90.50) = 100.000%  kept
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.26, residual support = 90.5:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  95.360% * 99.4196% (0.72  10.0 10.00   4.26  90.50) =  99.996%  kept
          HB2   ASP-  44 - HB2   PHE   72   7.26 +/- 1.08   1.618% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB2   PHE   72  12.55 +/- 3.30   1.865% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HB2   PHE   72  13.06 +/- 4.03   0.415% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  13.65 +/- 4.32   0.356% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  19.97 +/- 2.92   0.081% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  19.42 +/- 1.60   0.076% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.96 +/- 2.11   0.231% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.55, residual support = 90.5:
    * O T HA    PHE   72 - HB3   PHE   72   2.60 +/- 0.15 100.000% *100.0000% (0.66  10.0 10.00   4.55  90.50) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 4.24, residual support = 90.1:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  92.749% * 89.1847% (0.72  10.0 10.00   4.26  90.50) =  99.134%  kept
          HA    ALA   64 - HB3   PHE   72   5.55 +/- 1.32   6.704% * 10.7752% (0.63   1.0  1.00   2.78  45.58) =   0.866%  kept
          HB3   ASN   69 - HB3   PHE   72  10.16 +/- 1.18   0.548% *  0.0401% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.1:
    * O T HB2   LEU   73 - HA    LEU   73   2.36 +/- 0.16  92.420% * 99.4108% (1.00  10.0 10.00   5.00 172.16) =  99.996%  kept
          QG1   ILE   56 - HA    LEU   73  13.42 +/- 3.85   4.287% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LEU   73  14.55 +/- 1.99   0.559% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LEU   73  15.04 +/- 1.63   0.470% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  16.30 +/- 3.24   0.727% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.11 +/- 2.79   0.425% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.80 +/- 4.58   0.196% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.49 +/- 2.68   0.201% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  16.77 +/- 1.91   0.300% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.80 +/- 2.01   0.415% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.993, support = 5.22, residual support = 170.7:
    * O T HB3   LEU   73 - HA    LEU   73   2.61 +/- 0.26  69.553% * 93.1627% (1.00  10.0 10.00   5.24 172.16) =  98.938%  kept
          HB3   LYS+  74 - HA    LEU   73   4.62 +/- 0.43  14.268% *  3.6299% (0.18   1.0  1.00   4.45  41.66) =   0.791%  kept
          HB    VAL   42 - HA    LEU   73   7.90 +/- 1.81   6.782% *  2.5389% (0.99   1.0  1.00   0.55   0.62) =   0.263%  kept
          HB2   LYS+ 112 - HA    LEU   73  19.64 +/- 5.50   1.395% *  0.0913% (0.98   1.0  1.00   0.02   0.11) =   0.002%
          HG3   LYS+  65 - HA    LEU   73  11.29 +/- 2.09   1.281% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    LEU   73  12.50 +/- 3.14   1.084% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LEU   73  16.16 +/- 4.31   0.713% *  0.0603% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LEU   73  10.97 +/- 1.73   1.193% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   73  14.38 +/- 3.41   1.068% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  15.64 +/- 1.70   0.423% *  0.0860% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    LEU   73  17.88 +/- 2.25   0.269% *  0.0930% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  12.61 +/- 2.07   0.883% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  14.09 +/- 1.78   0.643% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.27 +/- 3.12   0.245% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.50 +/- 2.43   0.200% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.18, residual support = 168.9:
    *   T QD1   LEU   73 - HA    LEU   73   3.88 +/- 0.39  65.514% * 85.6656% (1.00 10.00   5.28 172.16) =  98.105%  kept
        T QD1   LEU   63 - HA    LEU   73   9.79 +/- 1.89   7.733% * 12.9771% (1.00 10.00   0.30   0.14) =   1.754%  kept
          QD2   LEU   63 - HA    LEU   73   9.59 +/- 1.44   6.412% *  0.7172% (0.57  1.00   0.30   0.14) =   0.080%
        T QD1   LEU  104 - HA    LEU   73  12.96 +/- 3.05   5.345% *  0.4850% (0.57 10.00   0.02   0.02) =   0.045%
          QD2   LEU  115 - HA    LEU   73  13.27 +/- 3.73   6.737% *  0.0716% (0.84  1.00   0.02   0.02) =   0.008%
          QD2   LEU   80 - HA    LEU   73  10.78 +/- 2.84   5.045% *  0.0686% (0.80  1.00   0.02   0.02) =   0.006%
          QG1   VAL   83 - HA    LEU   73  12.04 +/- 2.46   3.214% *  0.0150% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.19, residual support = 171.8:
    *   T QD2   LEU   73 - HA    LEU   73   3.10 +/- 0.46  67.474% * 98.8461% (1.00 10.00   6.20 172.16) =  99.815%  kept
          QG1   VAL   43 - HA    LEU   73   6.64 +/- 1.68  19.310% *  0.5884% (0.28  1.00   0.43   6.16) =   0.170%  kept
          QD1   ILE   56 - HA    LEU   73  13.03 +/- 3.78   3.958% *  0.0886% (0.90  1.00   0.02   0.02) =   0.005%
          QG1   VAL   41 - HA    LEU   73   8.14 +/- 1.33   6.139% *  0.0443% (0.45  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - HA    LEU   73  10.34 +/- 2.51   2.749% *  0.0954% (0.97  1.00   0.02   1.32) =   0.004%
        T HG3   LYS+ 121 - HA    LEU   73  19.11 +/- 2.78   0.370% *  0.3372% (0.34 10.00   0.02   0.02) =   0.002%
    Distance limit 3.01 A violated in 0 structures by 0.19 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 172.2:
    * O T HA    LEU   73 - HB2   LEU   73   2.36 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   5.00 172.16) = 100.000%  kept
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 0.999, support = 5.23, residual support = 171.9:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  90.291% * 92.1361% (1.00  10.0 10.00   5.24 172.16) =  99.837%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.53 +/- 0.66   3.307% *  3.5854% (0.18   1.0  1.00   4.44  41.66) =   0.142%  kept
        T HG3   LYS+  33 - HB2   LEU   73  12.30 +/- 4.10   0.586% *  0.8892% (0.97   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   PRO   93 - HB2   LEU   73  14.41 +/- 4.29   1.017% *  0.3458% (0.38   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HB2   LEU   73  12.36 +/- 1.78   0.324% *  0.9132% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - HB2   LEU   73   8.85 +/- 2.03   1.674% *  0.0913% (0.99   1.0  1.00   0.02   0.62) =   0.002%
        T HG3   LYS+ 106 - HB2   LEU   73  15.60 +/- 1.82   0.147% *  0.8505% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HB2   LEU   73  17.76 +/- 2.69   0.112% *  0.9193% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HB2   LEU   73  19.81 +/- 6.70   1.109% *  0.0903% (0.98   1.0  1.00   0.02   0.11) =   0.001%
          QB    LEU   98 - HB2   LEU   73  11.17 +/- 1.85   0.477% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  16.58 +/- 4.27   0.217% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  12.93 +/- 2.28   0.357% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  13.72 +/- 1.82   0.224% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.91 +/- 3.50   0.090% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.23 +/- 2.50   0.068% *  0.0161% (0.18   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 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 171.5:
    * O T QD1   LEU   73 - HB2   LEU   73   2.50 +/- 0.33  80.447% * 86.2423% (1.00  10.0 10.00   5.26 172.16) =  99.598%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.74 +/- 2.11   2.012% * 13.0644% (1.00   1.0 10.00   0.30   0.14) =   0.377%  kept
          QD2   LEU  115 - HB2   LEU   73  13.56 +/- 4.61  10.463% *  0.0720% (0.84   1.0  1.00   0.02   0.02) =   0.011%
        T QD1   LEU  104 - HB2   LEU   73  13.27 +/- 3.18   1.298% *  0.4883% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   80 - HB2   LEU   73  10.26 +/- 3.33   3.082% *  0.0691% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   LEU   73  10.68 +/- 1.47   1.421% *  0.0488% (0.57   1.0  1.00   0.02   0.14) =   0.001%
          QG1   VAL   83 - HB2   LEU   73  11.66 +/- 2.80   1.277% *  0.0151% (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 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.18, residual support = 171.1:
    * O T QD2   LEU   73 - HB2   LEU   73   2.93 +/- 0.30  71.695% * 95.4610% (1.00  10.0 10.00   6.20 172.16) =  99.389%  kept
          QG1   VAL   43 - HB2   LEU   73   6.79 +/- 1.62  10.637% *  3.2223% (0.28   1.0  1.00   2.43   6.16) =   0.498%  kept
        T QD1   ILE   56 - HB2   LEU   73  13.41 +/- 4.66   8.348% *  0.8561% (0.90   1.0 10.00   0.02   0.02) =   0.104%  kept
          HG    LEU   31 - HB2   LEU   73   9.92 +/- 3.35   4.043% *  0.0921% (0.97   1.0  1.00   0.02   1.32) =   0.005%
          QG1   VAL   41 - HB2   LEU   73   8.64 +/- 1.79   4.980% *  0.0428% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB2   LEU   73  19.73 +/- 3.19   0.297% *  0.3256% (0.34   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.24, residual support = 172.2:
    * O T HA    LEU   73 - HB3   LEU   73   2.61 +/- 0.26 100.000% *100.0000% (1.00  10.0 10.00   5.24 172.16) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 172.1:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  96.287% * 98.2609% (1.00  10.0 10.00   5.24 172.16) =  99.997%  kept
        T HD2   LYS+ 111 - HB3   LEU   73  22.36 +/- 5.46   0.107% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HB3   LEU   73  13.42 +/- 4.57   2.231% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU   73  16.10 +/- 2.24   0.149% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HB3   LEU   73  15.96 +/- 3.62   0.361% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.72 +/- 2.31   0.220% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.32 +/- 1.87   0.205% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.44 +/- 3.15   0.197% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  20.96 +/- 3.05   0.077% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  15.76 +/- 2.12   0.164% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.4, residual support = 171.5:
    * O T QD1   LEU   73 - HB3   LEU   73   2.38 +/- 0.35  84.675% * 85.7096% (1.00  10.0 10.00   5.42 172.16) =  99.612%  kept
        T QD1   LEU   63 - HB3   LEU   73  10.41 +/- 2.12   1.890% * 12.9837% (1.00   1.0 10.00   0.30   0.14) =   0.337%  kept
        T QD2   LEU   80 - HB3   LEU   73  10.14 +/- 3.89   3.376% *  0.6863% (0.80   1.0 10.00   0.02   0.02) =   0.032%
        T QD1   LEU  104 - HB3   LEU   73  12.86 +/- 3.37   2.008% *  0.4852% (0.57   1.0 10.00   0.02   0.02) =   0.013%
          QD2   LEU  115 - HB3   LEU   73  13.29 +/- 4.34   4.657% *  0.0716% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB3   LEU   73  10.47 +/- 1.52   1.326% *  0.0485% (0.57   1.0  1.00   0.02   0.14) =   0.001%
          QG1   VAL   83 - HB3   LEU   73  11.43 +/- 3.32   2.067% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 6.57, residual support = 170.1:
    * O T QD2   LEU   73 - HB3   LEU   73   2.85 +/- 0.29  68.431% * 94.6537% (1.00  10.0 10.00   6.65 172.16) =  98.746%  kept
        T QG1   VAL   43 - HB3   LEU   73   6.25 +/- 1.85  16.880% *  4.8048% (0.28   1.0 10.00   0.37   6.16) =   1.236%  kept
          QD1   ILE   56 - HB3   LEU   73  13.15 +/- 4.42   6.330% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.008%
          HG    LEU   31 - HB3   LEU   73   9.52 +/- 3.28   3.344% *  0.0913% (0.97   1.0  1.00   0.02   1.32) =   0.005%
          QG1   VAL   41 - HB3   LEU   73   8.29 +/- 1.65   4.658% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   73  19.29 +/- 3.26   0.357% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.35 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 = 5.19, residual support = 169.0:
    *   T HA    LEU   73 - QD1   LEU   73   3.88 +/- 0.39  83.154% * 86.6601% (1.00 10.00   5.28 172.16) =  98.172%  kept
        T HA    LEU   73 - QD1   LEU   63   9.79 +/- 1.89  10.110% * 13.1277% (1.00 10.00   0.30   0.14) =   1.808%  kept
        T HA    LEU   73 - QD1   LEU  104  12.96 +/- 3.05   6.736% *  0.2121% (0.24 10.00   0.02   0.02) =   0.019%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.946, support = 5.06, residual support = 163.0:
    * O T HB2   LEU   73 - QD1   LEU   73   2.50 +/- 0.33  31.817% * 91.0133% (1.00  10.0 10.00   5.26 172.16) =  94.101%  kept
        T HB3   LYS+  99 - QD1   LEU  104   3.22 +/- 2.36  32.485% *  4.7664% (0.05   1.0 10.00   1.92  17.77) =   5.032%  kept
          QD    LYS+  99 - QD1   LEU  104   4.10 +/- 2.13  13.264% *  1.9020% (0.23   1.0  1.00   1.85  17.77) =   0.820%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.74 +/- 2.11   0.560% *  0.9101% (1.00   1.0 10.00   0.02   0.14) =   0.017%
          QG1   ILE   56 - QD1   LEU   73  11.55 +/- 4.39   5.960% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LEU   73 - QD1   LEU  104  13.27 +/- 3.18   0.708% *  0.2228% (0.24   1.0 10.00   0.02   0.02) =   0.005%
          QG1   ILE   56 - QD1   LEU   63   6.19 +/- 1.44   3.962% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   93 - QD1   LEU   63  11.19 +/- 3.36   1.010% *  0.0552% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - QD1   LEU   63  10.66 +/- 2.79   0.841% *  0.0589% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU   63  12.07 +/- 3.47   0.568% *  0.0861% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD1   LEU   63  11.27 +/- 2.27   0.523% *  0.0840% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   73  11.19 +/- 1.84   0.400% *  0.0861% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   63  13.15 +/- 3.06   0.385% *  0.0878% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   73  13.60 +/- 3.48   0.561% *  0.0552% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  11.83 +/- 1.84   0.364% *  0.0840% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   73  13.73 +/- 3.08   0.333% *  0.0878% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   8.28 +/- 1.07   1.270% *  0.0211% (0.23   1.0  1.00   0.02   0.39) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   63  14.02 +/- 2.81   0.272% *  0.0816% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   73  18.52 +/- 5.18   0.243% *  0.0816% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   7.30 +/- 1.15   1.945% *  0.0092% (0.10   1.0  1.00   0.02   0.35) =   0.001%
          HB2   LEU  123 - QD1   LEU   73  17.52 +/- 3.16   0.210% *  0.0589% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  12.57 +/- 2.25   0.321% *  0.0374% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  12.80 +/- 2.52   0.414% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  15.20 +/- 2.74   0.185% *  0.0374% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  13.11 +/- 5.15   0.447% *  0.0144% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  12.53 +/- 1.79   0.301% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.60 +/- 1.80   0.118% *  0.0215% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  18.09 +/- 1.49   0.104% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.28 +/- 2.59   0.291% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.57 +/- 2.34   0.138% *  0.0135% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.995, support = 5.38, residual support = 170.1:
    * O T HB3   LEU   73 - QD1   LEU   73   2.38 +/- 0.35  38.132% * 78.4085% (1.00  10.0 10.00   5.42 172.16) =  98.715%  kept
          HB    VAL   42 - QD1   LEU   73   7.18 +/- 1.89   3.186% *  4.0471% (0.99   1.0  1.00   1.04   0.62) =   0.426%  kept
        T HB3   LEU   73 - QD1   LEU   63  10.41 +/- 2.12   0.775% * 11.8777% (1.00   1.0 10.00   0.30   0.14) =   0.304%  kept
          HB3   LYS+  74 - QD1   LEU   73   6.13 +/- 0.65   2.849% *  3.0319% (0.18   1.0  1.00   4.42  41.66) =   0.285%  kept
          QB    LEU   98 - QD1   LEU  104   5.21 +/- 0.70   5.600% *  1.0735% (0.09   1.0  1.00   2.98  10.08) =   0.198%  kept
          HB2   LYS+ 112 - QD1   LEU   73  16.35 +/- 6.07   7.618% *  0.0769% (0.98   1.0  1.00   0.02   0.11) =   0.019%
          HB    VAL   42 - QD1   LEU   63   6.42 +/- 2.36   5.303% *  0.0777% (0.99   1.0  1.00   0.02   0.02) =   0.014%
        T HB3   LEU   73 - QD1   LEU  104  12.86 +/- 3.37   0.911% *  0.1919% (0.24   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+  33 - QD1   LEU   73   9.43 +/- 3.83   1.751% *  0.0757% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - QD1   LEU   63   7.71 +/- 1.15   1.687% *  0.0777% (0.99   1.0  1.00   0.02   3.40) =   0.004%
          QB    LEU   98 - QD1   LEU   73   8.24 +/- 1.77   2.102% *  0.0294% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   73  11.96 +/- 3.64   1.907% *  0.0294% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD1   LEU   63  10.83 +/- 2.19   0.697% *  0.0769% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   63   9.56 +/- 3.28   1.818% *  0.0294% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   63  12.24 +/- 3.80   0.736% *  0.0724% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QD1   LEU  104   8.02 +/- 1.97   2.628% *  0.0190% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QD1   LEU  104   7.53 +/- 1.44   2.228% *  0.0192% (0.24   1.0  1.00   0.02   0.35) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   73  11.75 +/- 1.95   0.581% *  0.0724% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD1   LEU   73  11.42 +/- 1.58   0.519% *  0.0777% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73   9.68 +/- 1.87   1.469% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   7.86 +/- 0.80   1.559% *  0.0177% (0.23   1.0  1.00   0.02   0.39) =   0.001%
          HG3   LYS+ 102 - QD1   LEU   73  13.37 +/- 2.55   0.347% *  0.0782% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  10.61 +/- 2.37   0.703% *  0.0294% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU  104   6.25 +/- 0.99   3.937% *  0.0048% (0.06   1.0  1.00   0.02  10.08) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  14.87 +/- 2.38   0.240% *  0.0757% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  11.28 +/- 1.98   0.631% *  0.0267% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   63   9.57 +/- 1.90   1.169% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU  104  11.63 +/- 2.86   0.724% *  0.0185% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  14.38 +/- 3.00   0.252% *  0.0507% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  16.59 +/- 2.54   0.159% *  0.0782% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  11.77 +/- 3.11   0.582% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.94 +/- 3.32   0.201% *  0.0507% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104  10.15 +/- 6.28   2.855% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63  11.18 +/- 3.10   0.635% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  11.78 +/- 2.10   0.538% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.93 +/- 2.14   0.266% *  0.0267% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.66 +/- 3.01   0.202% *  0.0190% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.06 +/- 3.56   0.275% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  12.47 +/- 5.30   0.922% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  16.83 +/- 1.91   0.129% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.27 +/- 3.32   0.190% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.75 +/- 2.49   0.153% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.62 +/- 2.28   0.221% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  16.49 +/- 2.62   0.238% *  0.0065% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  14.87 +/- 2.99   0.374% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 6.24, residual support = 164.2:
    * O T QD2   LEU   73 - QD1   LEU   73   2.04 +/- 0.07  40.875% * 69.7076% (1.00  10.0 10.00   6.50 172.16) =  95.339%  kept
        T QD2   LEU   73 - QD1   LEU   63   7.49 +/- 1.98   4.507% * 20.3092% (1.00   1.0 10.00   0.58   0.14) =   3.063%  kept
          HG    LEU   31 - QD1   LEU   73   6.60 +/- 3.48   4.713% *  7.3179% (0.97   1.0  1.00   2.18   1.32) =   1.154%  kept
          QG1   VAL   43 - QD1   LEU   73   5.02 +/- 1.56  10.061% *  1.0111% (0.28   1.0  1.00   1.04   6.16) =   0.340%  kept
        T QG1   VAL   41 - QD1   LEU   73   6.61 +/- 1.56   2.639% *  0.3125% (0.45   1.0 10.00   0.02   0.02) =   0.028%
        T QD2   LEU   73 - QD1   LEU  104   9.66 +/- 2.81   4.012% *  0.1706% (0.24   1.0 10.00   0.02   0.02) =   0.023%
        T QG1   VAL   41 - QD1   LEU  104   5.54 +/- 1.46   6.583% *  0.0765% (0.11   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   LYS+ 121 - QD1   LEU  104   9.40 +/- 6.52   3.849% *  0.0582% (0.08   1.0 10.00   0.02   0.02) =   0.007%
          QD1   ILE   56 - QD1   LEU   73  11.33 +/- 4.13   3.163% *  0.0625% (0.90   1.0  1.00   0.02   0.02) =   0.007%
        T QG1   VAL   41 - QD1   LEU   63   9.05 +/- 1.49   0.587% *  0.3125% (0.45   1.0 10.00   0.02   0.02) =   0.006%
          QD1   ILE   56 - QD1   LEU   63   6.08 +/- 1.67   2.887% *  0.0625% (0.90   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - QD1   LEU   63  11.31 +/- 2.96   0.411% *  0.2378% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   31 - QD1   LEU   63  12.15 +/- 3.25   1.044% *  0.0673% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU  104   7.76 +/- 2.40  11.502% *  0.0047% (0.07   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - QD1   LEU   73  15.87 +/- 3.43   0.147% *  0.2378% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU   63   8.18 +/- 2.41   1.453% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  10.40 +/- 3.63   1.345% *  0.0165% (0.24   1.0  1.00   0.02   0.49) =   0.001%
          QD1   ILE   56 - QD1   LEU  104  13.03 +/- 2.36   0.223% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 172.2:
    *   T HA    LEU   73 - QD2   LEU   73   3.10 +/- 0.46  99.393% * 99.6602% (1.00 10.00   6.20 172.16) =  99.998%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.11 +/- 2.78   0.607% *  0.3398% (0.34 10.00   0.02   0.02) =   0.002%
    Distance limit 3.20 A violated in 0 structures by 0.10 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.997, support = 6.19, residual support = 171.6:
    * O T HB2   LEU   73 - QD2   LEU   73   2.93 +/- 0.30  58.181% * 95.0955% (1.00  10.0 10.00   6.20 172.16) =  99.698%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.25 +/- 0.57   3.016% *  3.4912% (0.22   1.0 10.00   0.33   2.43) =   0.190%  kept
        T QG1   ILE   56 - QD2   LEU   73  10.35 +/- 4.05  17.892% *  0.2935% (0.31   1.0 10.00   0.02   0.02) =   0.095%
          QD    LYS+ 106 - QD2   LEU   73  11.14 +/- 1.62   1.503% *  0.0900% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HG3   LYS+ 121  11.33 +/- 6.45   4.365% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD2   LEU   73  11.12 +/- 1.62   1.440% *  0.0878% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QD2   LEU   73  13.03 +/- 2.96   1.407% *  0.0577% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD2   LEU   73  13.48 +/- 2.22   0.854% *  0.0918% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   ILE   56 - HG3   LYS+ 121  13.15 +/- 1.20   0.779% *  0.1001% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 121  19.73 +/- 3.19   0.239% *  0.3243% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  17.73 +/- 4.33   0.712% *  0.0853% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG3   LYS+ 121  12.61 +/- 5.79   1.725% *  0.0307% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  12.67 +/- 2.32   1.242% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD2   LEU   73  16.10 +/- 2.70   0.466% *  0.0615% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+ 121  14.68 +/- 7.34   1.889% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  11.90 +/- 1.62   1.119% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  12.51 +/- 7.32   2.199% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  17.15 +/- 2.66   0.439% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  20.44 +/- 2.53   0.240% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.32 +/- 2.11   0.293% *  0.0197% (0.21   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 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.919, support = 6.43, residual support = 176.0:
    * O T HB3   LEU   73 - QD2   LEU   73   2.85 +/- 0.29  24.917% * 81.9164% (1.00  10.0 10.00   6.65 172.16) =  88.625%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.44 +/- 0.28  39.005% *  4.3100% (0.05  10.0 10.00   5.98 313.01) =   7.299%  kept
          HB2   LYS+ 112 - QD2   LEU   73  15.33 +/- 5.43   8.458% *  4.2842% (0.98   1.0  1.00   1.07   0.11) =   1.573%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.18 +/- 0.89   7.576% *  4.1022% (0.18   1.0  1.00   5.72  41.66) =   1.349%  kept
          HB    VAL   42 - QD2   LEU   73   5.85 +/- 1.50   6.107% *  4.2581% (0.99   1.0  1.00   1.05   0.62) =   1.129%  kept
          HG3   LYS+  33 - QD2   LEU   73   9.82 +/- 3.12   1.180% *  0.0791% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - QD2   LEU   73   9.79 +/- 1.62   1.094% *  0.0812% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          QB    LEU   98 - QD2   LEU   73   7.90 +/- 1.84   2.161% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 121 - QD2   LEU   73  14.96 +/- 2.86   0.323% *  0.1264% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD2   LEU   73   9.23 +/- 2.18   1.909% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD2   LEU   73  11.51 +/- 1.76   0.476% *  0.0756% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   73 - HG3   LYS+ 121  19.29 +/- 3.26   0.127% *  0.2793% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD2   LEU   73  11.34 +/- 3.02   0.963% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  13.47 +/- 2.46   0.305% *  0.0817% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  12.56 +/- 6.64   0.886% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HG3   LYS+ 121  16.35 +/- 7.64   0.550% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   73  14.29 +/- 2.62   0.245% *  0.0530% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HG3   LYS+ 121  12.77 +/- 3.49   0.462% *  0.0277% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  11.51 +/- 1.66   0.404% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  12.50 +/- 5.57   0.655% *  0.0105% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.24 +/- 1.34   0.140% *  0.0274% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.62 +/- 1.08   0.742% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  20.93 +/- 5.00   0.119% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  14.32 +/- 6.02   0.452% *  0.0070% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  24.41 +/- 5.53   0.174% *  0.0181% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.56 +/- 2.16   0.216% *  0.0143% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  19.28 +/- 2.29   0.102% *  0.0277% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.63 +/- 1.60   0.113% *  0.0105% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  22.08 +/- 2.54   0.060% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  20.71 +/- 2.14   0.076% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.31, residual support = 166.8:
    * O T QD1   LEU   73 - QD2   LEU   73   2.04 +/- 0.07  63.120% * 76.3972% (1.00  10.0 10.00   6.50 172.16) =  96.909%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.49 +/- 1.98   6.650% * 22.2582% (1.00   1.0 10.00   0.58   0.14) =   2.975%  kept
        T QD1   LEU  104 - QD2   LEU   73   9.66 +/- 2.81   9.013% *  0.4325% (0.57   1.0 10.00   0.02   0.02) =   0.078%
        T QD1   LEU  104 - HG3   LYS+ 121   9.40 +/- 6.52   6.344% *  0.1475% (0.19   1.0 10.00   0.02   0.02) =   0.019%
          QD2   LEU  115 - QD2   LEU   73  10.23 +/- 3.58   7.393% *  0.0638% (0.84   1.0  1.00   0.02   0.02) =   0.009%
        T QD1   LEU   63 - HG3   LYS+ 121  11.31 +/- 2.96   0.675% *  0.2605% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - QD2   LEU   73   8.90 +/- 2.91   1.665% *  0.0612% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QD2   LEU   73   7.60 +/- 1.44   1.859% *  0.0433% (0.57   1.0  1.00   0.02   0.14) =   0.002%
        T QD1   LEU   73 - HG3   LYS+ 121  15.87 +/- 3.43   0.224% *  0.2605% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU   73   9.64 +/- 2.85   1.507% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.91 +/- 0.84   0.603% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121  11.33 +/- 3.36   0.781% *  0.0147% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.79 +/- 3.98   0.071% *  0.0209% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  20.36 +/- 4.55   0.095% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.6:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.79 +/- 0.22  83.076% * 99.4757% (0.64  10.0 10.00   6.31 186.65) =  99.990%  kept
          HG2   LYS+  65 - HA    LYS+  74   9.43 +/- 2.98   4.259% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HA    LYS+  74  10.80 +/- 2.97   2.354% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LYS+  74   9.81 +/- 2.75   4.801% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    LYS+  74  13.05 +/- 1.73   1.088% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    LYS+  74  14.53 +/- 3.02   1.073% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LYS+  74  17.23 +/- 1.78   0.438% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.03 +/- 2.67   1.337% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  12.44 +/- 1.70   1.238% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.55 +/- 1.67   0.335% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.6:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.58 +/- 0.54  86.849% * 99.1206% (0.80  10.0 10.00   6.28 186.65) =  99.990%  kept
          HG13  ILE   19 - HA    LYS+  74  11.45 +/- 5.36   2.750% *  0.0915% (0.74   1.0  1.00   0.02   7.99) =   0.003%
          HG    LEU   71 - HA    LYS+  74  11.22 +/- 1.53   1.726% *  0.0989% (0.80   1.0  1.00   0.02   0.84) =   0.002%
        T HG3   LYS+ 111 - HA    LYS+  74  20.52 +/- 2.97   0.357% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    LYS+  74  12.12 +/- 1.72   1.761% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  74  11.30 +/- 2.70   3.922% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  74  12.88 +/- 1.10   1.000% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    LYS+  74  17.68 +/- 2.09   0.505% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+  74  16.03 +/- 2.18   0.760% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  19.73 +/- 1.92   0.370% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.09 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.781, support = 5.55, residual support = 181.1:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.28 +/- 0.50  49.241% * 92.2637% (0.80  10.0 10.00   5.57 186.65) =  96.425%  kept
          HB    VAL   75 - HA    LYS+  74   4.38 +/- 0.30  22.697% *  7.3277% (0.25   1.0  1.00   5.15  32.06) =   3.530%  kept
          QD1   LEU   67 - HA    LYS+  74   6.85 +/- 2.40  15.405% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.028%
          QD2   LEU   71 - HA    LYS+  74   8.75 +/- 1.32   8.184% *  0.0634% (0.55   1.0  1.00   0.02   0.84) =   0.011%
          QD2   LEU   40 - HA    LYS+  74  11.00 +/- 1.47   1.709% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - HA    LYS+  74  13.39 +/- 1.25   0.851% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LYS+  74  12.81 +/- 1.46   1.049% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    LYS+  74  14.07 +/- 1.86   0.864% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 0 structures by 0.20 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   3.05 +/- 0.62  83.729% * 99.2156% (0.80 10.00   5.91 186.65) =  99.986%  kept
          QD    LYS+  65 - HA    LYS+  74   9.20 +/- 2.79   8.947% *  0.0562% (0.45  1.00   0.02   0.02) =   0.006%
          QB    ALA   57 - HA    LYS+  74  11.85 +/- 3.21   2.783% *  0.0861% (0.69  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HA    LYS+  74  18.45 +/- 1.75   0.529% *  0.3384% (0.27 10.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HA    LYS+  74  12.90 +/- 2.10   1.551% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HA    LYS+  74  14.36 +/- 2.36   1.114% *  0.0562% (0.45  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LYS+  74  21.60 +/- 3.29   0.448% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  17.72 +/- 1.65   0.560% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.11 +/- 2.06   0.339% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.22 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.6:
    *   T QE    LYS+  74 - HA    LYS+  74   2.97 +/- 0.55  83.119% * 99.7560% (0.80 10.00   4.93 186.65) =  99.991%  kept
          HB2   PHE   72 - HA    LYS+  74   6.36 +/- 0.72  11.943% *  0.0308% (0.25  1.00   0.02   1.89) =   0.004%
          QB    CYS   50 - HA    LYS+  74  11.78 +/- 1.48   1.929% *  0.0995% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HA    LYS+  74  14.28 +/- 1.79   1.293% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+  74  11.59 +/- 0.72   1.715% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 0 structures by 0.29 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.6:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.79 +/- 0.22  98.579% * 99.8966% (0.64  10.0 10.00   6.31 186.65) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  14.35 +/- 0.89   0.811% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  15.97 +/- 1.41   0.610% *  0.0278% (0.18   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 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 186.6:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.94 +/- 0.14  85.262% * 99.1206% (0.80  10.0 10.00   5.85 186.65) =  99.988%  kept
          HG    LEU   71 - HB2   LYS+  74  11.78 +/- 2.41   3.467% *  0.0989% (0.80   1.0  1.00   0.02   0.84) =   0.004%
          HG13  ILE   19 - HB2   LYS+  74  11.41 +/- 5.44   3.099% *  0.0915% (0.74   1.0  1.00   0.02   7.99) =   0.003%
        T HG3   LYS+ 111 - HB2   LYS+  74  22.45 +/- 3.02   0.246% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  74  12.71 +/- 2.80   4.271% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HB2   LYS+  74  12.45 +/- 1.96   1.351% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  74  13.71 +/- 1.71   1.009% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB2   LYS+  74  18.79 +/- 3.38   0.473% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+  74  17.29 +/- 2.50   0.499% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  20.27 +/- 2.87   0.323% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.795, support = 5.23, residual support = 184.2:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.72 +/- 0.19  58.180% * 90.1489% (0.80  10.0 10.00   5.27 186.65) =  98.561%  kept
          HB    VAL   75 - HB2   LYS+  74   6.08 +/- 0.62   6.129% *  6.4212% (0.25   1.0  1.00   4.62  32.06) =   0.740%  kept
        T QD1   LEU   67 - HB2   LYS+  74   7.48 +/- 3.04  22.037% *  0.8322% (0.74   1.0 10.00   0.02   0.02) =   0.345%  kept
          QD2   LEU   71 - HB2   LYS+  74   9.18 +/- 2.11  11.006% *  1.6160% (0.55   1.0  1.00   0.52   0.84) =   0.334%  kept
        T QD2   LEU   40 - HB2   LYS+  74  12.04 +/- 2.36   1.274% *  0.8085% (0.72   1.0 10.00   0.02   0.02) =   0.019%
          QG2   ILE  103 - HB2   LYS+  74  14.79 +/- 1.28   0.404% *  0.0884% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  14.05 +/- 1.67   0.535% *  0.0510% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  74  15.39 +/- 2.43   0.436% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.6:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.38 +/- 0.39  92.089% * 97.4681% (0.80  10.0 10.00   6.31 186.65) =  99.969%  kept
        T QD    LYS+  65 - HB2   LYS+  74   9.52 +/- 2.89   4.063% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.025%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.51 +/- 1.87   0.224% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LYS+  74  12.71 +/- 3.57   1.546% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HB2   LYS+  74  23.49 +/- 3.30   0.139% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+  74  18.89 +/- 2.61   0.328% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB2   LYS+  74  13.41 +/- 2.27   0.876% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  14.29 +/- 2.20   0.590% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.70 +/- 2.73   0.145% *  0.0552% (0.45   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 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   3.11 +/- 0.73  84.609% * 99.7560% (0.80 10.00   4.62 186.65) =  99.992%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.68 +/- 1.09   9.242% *  0.0308% (0.25  1.00   0.02   1.89) =   0.003%
          QB    CYS   50 - HB2   LYS+  74  12.55 +/- 1.64   1.854% *  0.0995% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HB2   LYS+  74  14.90 +/- 3.01   1.585% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   LYS+  74  11.46 +/- 1.49   2.709% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.72 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 = 186.6:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.58 +/- 0.54  86.586% * 99.7790% (0.80  10.0 10.00   6.28 186.65) =  99.998%  kept
          HA    THR   94 - HG3   LYS+ 111  10.17 +/- 2.02   9.409% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   94 - HG2   LYS+  74  13.33 +/- 1.19   0.766% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  74 - HG3   LYS+ 111  20.52 +/- 2.97   0.336% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  14.80 +/- 1.60   0.611% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  12.23 +/- 2.64   2.292% *  0.0030% (0.02   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 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 +/- 0.14  61.329% * 99.3145% (0.80  10.0 10.00   5.85 186.65) =  99.983%  kept
          HG2   LYS+  65 - HG2   LYS+  74   9.05 +/- 3.81   7.130% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   67 - HG2   LYS+  74  10.05 +/- 3.61   7.040% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   26 - HG2   LYS+  74  11.79 +/- 3.04   1.402% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - HG2   LYS+  74  15.08 +/- 3.60   0.946% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG2   LYS+  74  14.34 +/- 2.02   0.655% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG3   LYS+ 111   9.13 +/- 2.16   4.389% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG2   LYS+  74  17.84 +/- 2.74   0.422% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG3   LYS+ 111   8.62 +/- 2.06  11.849% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.72 +/- 3.15   1.141% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  22.45 +/- 3.02   0.171% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  13.73 +/- 1.96   0.764% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.48 +/- 2.45   0.262% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.54 +/- 1.90   1.019% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  15.46 +/- 2.83   0.569% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.79 +/- 2.78   0.152% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  24.24 +/- 3.62   0.188% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  20.89 +/- 3.00   0.198% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.75 +/- 3.31   0.191% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.07 +/- 2.33   0.183% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.06 A, kept.
 
    Peak 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 = 186.3:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  77.883% * 92.8705% (1.00  10.0 10.00   4.54 186.65) =  99.759%  kept
          HB    VAL   75 - HG2   LYS+  74   5.91 +/- 0.69   2.442% *  6.5106% (0.31   1.0  1.00   4.54  32.06) =   0.219%  kept
          QD1   LEU   67 - HG2   LYS+  74   7.18 +/- 3.02  16.340% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.019%
          QD2   LEU   71 - HG2   LYS+  74   9.73 +/- 1.74   1.307% *  0.0638% (0.69   1.0  1.00   0.02   0.84) =   0.001%
          QD2   LEU   40 - HG2   LYS+  74  12.17 +/- 1.71   0.291% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.74 +/- 1.13   0.141% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.20 +/- 1.59   0.173% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.45 +/- 2.90   0.211% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  21.56 +/- 3.27   0.055% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.19 +/- 3.32   0.067% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.45 +/- 1.86   0.551% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.75 +/- 1.62   0.143% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.28 +/- 2.68   0.108% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.23 +/- 1.69   0.091% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  16.29 +/- 1.74   0.113% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.53 +/- 2.29   0.083% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.918, support = 5.52, residual support = 198.0:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.86 +/- 0.15  42.889% * 89.4618% (1.00  10.0 10.00   5.54 186.65) =  91.013%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.77 +/- 0.29  47.088% *  7.9861% (0.09  10.0 10.00   5.40 315.01) =   8.920%  kept
        T QD    LYS+  65 - HG2   LYS+  74   8.80 +/- 3.44   4.542% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.055%
        T QD    LYS+  33 - HG2   LYS+  74  15.62 +/- 2.25   0.318% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HG2   LYS+  74  11.62 +/- 4.22   2.020% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.01 +/- 3.30   0.127% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HG2   LYS+  74  19.48 +/- 2.40   0.163% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  74  13.57 +/- 2.04   0.479% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  21.46 +/- 3.10   0.129% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.66 +/- 2.32   0.185% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  19.25 +/- 2.95   0.176% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.69 +/- 2.81   0.898% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.75 +/- 3.29   0.133% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.39 +/- 3.13   0.066% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.53 +/- 2.30   0.332% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.38 +/- 2.55   0.053% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  18.88 +/- 2.76   0.261% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.68 +/- 3.41   0.139% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.6:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.58 +/- 0.55  89.166% * 99.6238% (1.00  10.0 10.00   4.54 186.65) =  99.995%  kept
          QB    CYS   50 - HG2   LYS+  74  11.39 +/- 1.72   1.615% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HG2   LYS+  74   8.12 +/- 1.02   4.700% *  0.0307% (0.31   1.0  1.00   0.02   1.89) =   0.002%
          HB3   ASN   69 - HG2   LYS+  74  14.85 +/- 2.32   0.836% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  11.07 +/- 1.42   1.677% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - HG3   LYS+ 111  18.50 +/- 2.83   0.427% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HG3   LYS+ 111  15.06 +/- 2.82   0.743% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.89 +/- 3.48   0.478% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  25.63 +/- 3.18   0.165% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  22.18 +/- 2.60   0.193% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 186.6:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.28 +/- 0.50  97.376% * 99.8966% (0.80  10.0 10.00   5.57 186.65) =  99.999%  kept
          HA    THR   94 - HG3   LYS+  74  14.03 +/- 1.02   1.414% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HG3   LYS+  74  15.28 +/- 1.69   1.210% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.72 +/- 0.19  77.519% * 98.5261% (0.80  10.0 10.00   5.27 186.65) =  99.976%  kept
        T HG    LEU  115 - HG3   LYS+  74  15.66 +/- 3.51   0.771% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.009%
          HG2   LYS+  65 - HG3   LYS+  74   8.86 +/- 4.09   9.326% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   67 - HG3   LYS+  74  10.47 +/- 3.83   7.776% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HG3   LYS+  74  14.28 +/- 2.54   0.838% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HG3   LYS+  74  11.66 +/- 2.90   1.431% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG3   LYS+  74  14.86 +/- 2.66   0.786% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  18.20 +/- 2.71   0.395% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.30 +/- 3.23   0.922% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  19.98 +/- 2.38   0.236% *  0.0462% (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 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.6:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  94.979% * 99.1206% (1.00  10.0 10.00   4.54 186.65) =  99.998%  kept
          QG2   ILE   56 - HG3   LYS+  74  11.80 +/- 3.15   3.184% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG3   LYS+  74  12.80 +/- 2.39   0.494% *  0.0989% (1.00   1.0  1.00   0.02   0.84) =   0.001%
          HG13  ILE   19 - HG3   LYS+  74  12.60 +/- 4.99   0.478% *  0.0915% (0.92   1.0  1.00   0.02   7.99) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  21.56 +/- 3.27   0.066% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  13.26 +/- 2.00   0.277% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.55 +/- 1.99   0.245% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  19.71 +/- 3.15   0.086% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  17.20 +/- 2.60   0.125% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  21.37 +/- 2.93   0.065% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 186.6:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.84 +/- 0.19  80.056% * 99.2156% (1.00  10.0 10.00   4.97 186.65) =  99.984%  kept
          QD    LYS+  65 - HG3   LYS+  74   8.50 +/- 3.74  13.902% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.010%
          QB    ALA   57 - HG3   LYS+  74  11.66 +/- 4.13   3.614% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HG3   LYS+  74  19.87 +/- 2.73   0.272% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG3   LYS+  74  13.98 +/- 2.14   0.834% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HG3   LYS+  74  15.81 +/- 2.16   0.563% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.18 +/- 2.12   0.309% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  22.53 +/- 3.65   0.212% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.08 +/- 3.25   0.238% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.00 +/- 0.46  86.550% * 99.7560% (1.00  10.0 10.00   4.00 186.65) =  99.992%  kept
          QB    CYS   50 - HG3   LYS+  74  11.41 +/- 2.07   2.344% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG3   LYS+  74   8.54 +/- 1.40   7.392% *  0.0308% (0.31   1.0  1.00   0.02   1.89) =   0.003%
          HB3   ASN   69 - HG3   LYS+  74  15.26 +/- 2.93   1.410% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG3   LYS+  74  11.22 +/- 1.71   2.304% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.6:
    *   T HA    LYS+  74 - HD2   LYS+  74   3.05 +/- 0.62  96.260% * 99.6012% (0.80 10.00   5.91 186.65) =  99.997%  kept
        T HA    LYS+  74 - QD    LYS+  38  18.45 +/- 1.75   0.609% *  0.2184% (0.18 10.00   0.02   0.02) =   0.001%
          HA    THR   94 - HD2   LYS+  74  13.58 +/- 1.57   1.390% *  0.0754% (0.61  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HD2   LYS+  74  14.75 +/- 2.00   1.247% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.39 +/- 1.55   0.173% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.18 +/- 1.55   0.322% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 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   2.38 +/- 0.39  77.728% * 98.0482% (0.80  10.0 10.00   6.31 186.65) =  99.933%  kept
        T HG2   LYS+  65 - HD2   LYS+  74   9.55 +/- 3.75   8.132% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.059%
          HG    LEU   67 - HD2   LYS+  74  10.41 +/- 3.34   3.696% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD2   LYS+  74  20.21 +/- 1.92   0.170% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HD2   LYS+  74  11.55 +/- 3.08   1.037% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+  38   8.77 +/- 1.23   2.688% *  0.0241% (0.20   1.0  1.00   0.02   0.59) =   0.001%
          HB3   LEU   40 - HD2   LYS+  74  14.74 +/- 2.21   0.557% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  18.89 +/- 2.61   0.275% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HD2   LYS+  74  15.73 +/- 3.08   0.451% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.24 +/- 4.79   0.320% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.67 +/- 2.46   0.176% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  18.49 +/- 2.31   0.239% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.15 +/- 2.17   0.666% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  15.31 +/- 2.73   0.503% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.92 +/- 1.08   1.670% *  0.0047% (0.04   1.0  1.00   0.02   0.59) =   0.000%
          QB    ALA  120 - QD    LYS+  38  17.03 +/- 3.56   0.405% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.18 +/- 1.42   0.511% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.58 +/- 2.34   0.492% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  21.87 +/- 2.05   0.141% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  21.35 +/- 2.23   0.143% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.16 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.891, support = 5.54, residual support = 190.0:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.86 +/- 0.15  31.461% * 88.7512% (1.00  10.0 10.00   5.54 186.65) =  88.196%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.35 +/- 0.15  54.681% *  6.6388% (0.07  10.0 10.00   5.56 221.00) =  11.466%  kept
          QG2   THR   39 - QD    LYS+  38   6.16 +/- 0.93   4.258% *  2.2295% (0.13   1.0  1.00   3.78  30.37) =   0.300%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.66 +/- 1.80   3.946% *  0.1942% (0.22   1.0 10.00   0.02   0.02) =   0.024%
        T HG3   LYS+  99 - HD2   LYS+  74  19.51 +/- 2.92   0.150% *  0.8855% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HG13  ILE   19 - HD2   LYS+  74  12.76 +/- 5.09   0.610% *  0.0819% (0.92   1.0  1.00   0.02   7.99) =   0.002%
          HG    LEU   71 - HD2   LYS+  74  13.07 +/- 2.04   0.498% *  0.0886% (1.00   1.0  1.00   0.02   0.84) =   0.001%
        T HG3   LYS+ 111 - HD2   LYS+  74  21.46 +/- 3.10   0.091% *  0.3331% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74  11.80 +/- 2.96   1.630% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  21.38 +/- 2.61   0.093% *  0.3027% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HD2   LYS+  74  12.77 +/- 2.14   0.463% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  19.48 +/- 2.40   0.118% *  0.1946% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  13.50 +/- 1.82   0.337% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  11.06 +/- 2.53   0.931% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+  74  16.45 +/- 3.13   0.220% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.38 +/- 3.19   0.277% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.38 +/- 2.55   0.038% *  0.0730% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.95 +/- 1.32   0.054% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.16 +/- 2.41   0.102% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  26.80 +/- 3.04   0.042% *  0.0087% (0.10   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 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 4.96, residual support = 184.6:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.84 +/- 0.19  56.866% * 93.1023% (1.00  10.0 10.00   4.97 186.65) =  98.689%  kept
          HB    VAL   75 - HD2   LYS+  74   5.75 +/- 1.22  11.045% *  6.1845% (0.31   1.0  1.00   4.30  32.06) =   1.273%  kept
          QD1   LEU   67 - HD2   LYS+  74   7.45 +/- 2.94  16.147% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.026%
          QD2   LEU   71 - HD2   LYS+  74  10.27 +/- 1.86   4.080% *  0.0640% (0.69   1.0  1.00   0.02   0.84) =   0.005%
          QD2   LEU   40 - HD2   LYS+  74  12.54 +/- 1.97   0.965% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QD    LYS+  38   7.97 +/- 1.19   3.400% *  0.0183% (0.20   1.0  1.00   0.02   0.59) =   0.001%
          QG2   ILE  103 - HD2   LYS+  74  15.03 +/- 1.32   0.443% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - QD    LYS+  38  19.87 +/- 2.73   0.192% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - QD    LYS+  38   9.61 +/- 2.25   2.233% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  14.38 +/- 1.66   0.524% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    LYS+  38  12.93 +/- 1.89   0.973% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  15.06 +/- 2.59   0.536% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  13.07 +/- 2.01   0.812% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  13.18 +/- 2.06   1.107% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.54 +/- 3.36   0.454% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  18.72 +/- 1.53   0.223% *  0.0063% (0.07   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 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 = 186.6:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.25 +/- 0.10  93.057% * 99.4851% (1.00  10.0 10.00   4.97 186.65) =  99.997%  kept
          QB    CYS   50 - HD2   LYS+  74  11.33 +/- 1.75   0.945% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HD2   LYS+  74   8.58 +/- 1.00   2.102% *  0.0307% (0.31   1.0  1.00   0.02   1.89) =   0.001%
        T QE    LYS+  74 - QD    LYS+  38  18.11 +/- 1.99   0.212% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  10.65 +/- 1.86   1.198% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  15.31 +/- 2.97   0.534% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  12.38 +/- 3.70   1.331% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  14.11 +/- 2.31   0.477% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  25.16 +/- 2.35   0.077% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  26.51 +/- 2.54   0.066% *  0.0082% (0.08   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 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.6:
    *   T HA    LYS+  74 - QE    LYS+  74   2.97 +/- 0.55  96.024% * 99.8966% (0.80 10.00   4.93 186.65) =  99.998%  kept
          HA    THR   94 - QE    LYS+  74  11.57 +/- 1.77   2.106% *  0.0757% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - QE    LYS+  74  12.41 +/- 2.26   1.869% *  0.0278% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 186.6:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.11 +/- 0.73  67.520% * 99.4757% (0.80 10.00   4.62 186.65) =  99.976%  kept
          HG2   LYS+  65 - QE    LYS+  74   8.41 +/- 3.28  11.772% *  0.0557% (0.45  1.00   0.02   0.02) =   0.010%
          HG    LEU   67 - QE    LYS+  74   9.42 +/- 3.30  10.690% *  0.0310% (0.25  1.00   0.02   0.02) =   0.005%
          QG2   THR   26 - QE    LYS+  74  11.06 +/- 2.73   2.523% *  0.0654% (0.53  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - QE    LYS+  74  13.45 +/- 1.89   1.271% *  0.1114% (0.90  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - QE    LYS+  74  13.49 +/- 2.92   1.575% *  0.0853% (0.69  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QE    LYS+  74  16.18 +/- 2.24   0.771% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  74  13.17 +/- 2.44   1.656% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  12.84 +/- 1.74   1.649% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  17.78 +/- 1.97   0.572% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.22 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.6:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.58 +/- 0.55  84.309% * 99.1206% (1.00  10.0 10.00   4.54 186.65) =  99.989%  kept
          HG13  ILE   19 - QE    LYS+  74  12.14 +/- 4.65   1.940% *  0.0915% (0.92   1.0  1.00   0.02   7.99) =   0.002%
        T HG3   LYS+ 111 - QE    LYS+  74  18.50 +/- 2.83   0.405% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   ILE   56 - QE    LYS+  74   9.91 +/- 2.76   7.066% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   91 - QE    LYS+  74  10.83 +/- 2.18   2.229% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QE    LYS+  74  12.08 +/- 1.80   1.145% *  0.0989% (1.00   1.0  1.00   0.02   0.84) =   0.001%
          QG2   THR   39 - QE    LYS+  74  12.43 +/- 1.67   1.318% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+  74  17.65 +/- 2.24   0.482% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  14.20 +/- 2.84   0.808% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.52 +/- 2.22   0.300% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.982, support = 4.0, residual support = 182.5:
    * O T HG3   LYS+  74 - QE    LYS+  74   3.00 +/- 0.46  49.059% * 93.7855% (1.00  10.0 10.00   4.00 186.65) =  97.349%  kept
          HB    VAL   75 - QE    LYS+  74   4.94 +/- 1.33  21.188% *  5.7992% (0.31   1.0  1.00   4.01  32.06) =   2.600%  kept
          QD1   LEU   67 - QE    LYS+  74   6.69 +/- 2.89  22.358% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.041%
          QD2   LEU   71 - QE    LYS+  74   9.48 +/- 1.48   3.852% *  0.0644% (0.69   1.0  1.00   0.02   0.84) =   0.005%
          QD2   LEU   40 - QE    LYS+  74  11.33 +/- 1.50   1.140% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QE    LYS+  74  13.38 +/- 1.18   0.654% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QE    LYS+  74  12.88 +/- 1.44   0.837% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - QE    LYS+  74  13.11 +/- 2.48   0.912% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.6:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.25 +/- 0.10  88.751% * 99.2156% (1.00  10.0 10.00   4.97 186.65) =  99.991%  kept
          QD    LYS+  65 - QE    LYS+  74   8.12 +/- 3.07   6.666% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   57 - QE    LYS+  74  10.07 +/- 3.73   2.558% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - QE    LYS+  74  18.11 +/- 1.99   0.203% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  11.67 +/- 2.10   0.849% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  14.72 +/- 2.06   0.380% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  19.40 +/- 2.84   0.186% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  17.03 +/- 2.16   0.245% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  19.78 +/- 2.83   0.162% *  0.0562% (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 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 = 0.993, support = 3.45, residual support = 82.3:
    * O T HB    VAL   75 - HA    VAL   75   2.85 +/- 0.25  78.930% * 93.6696% (1.00  10.0 10.00   3.44  82.79) =  99.038%  kept
          HG3   LYS+  74 - HA    VAL   75   5.94 +/- 0.84  12.299% *  5.7881% (0.31   1.0  1.00   4.00  32.06) =   0.954%  kept
        T QD1   ILE  119 - HA    VAL   75  14.12 +/- 1.72   0.740% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - HA    VAL   75   8.96 +/- 1.79   4.739% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HA    VAL   75  11.97 +/- 1.12   1.188% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    VAL   75  12.63 +/- 1.75   1.278% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL   75  16.00 +/- 2.70   0.826% *  0.0164% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T QG1   VAL   75 - HA    VAL   75   2.77 +/- 0.20  98.364% * 99.9055% (1.00  10.0 10.00   4.00  82.79) =  99.998%  kept
          QD1   LEU  115 - HA    VAL   75  12.49 +/- 2.15   1.636% *  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 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T QG2   VAL   75 - HA    VAL   75   2.18 +/- 0.24  98.158% * 99.9036% (1.00  10.0 10.00   4.00  82.79) =  99.998%  kept
          QG2   VAL   42 - HA    VAL   75   9.07 +/- 1.02   1.842% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.8:
    * O T HA    VAL   75 - HB    VAL   75   2.85 +/- 0.25  92.883% * 99.7003% (1.00  10.0 10.00   3.44  82.79) =  99.996%  kept
        T HA    ILE  119 - HB    VAL   75  14.96 +/- 1.87   0.764% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HB    VAL   75   9.38 +/- 2.23   4.959% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - HB    VAL   75  14.96 +/- 2.26   0.818% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  16.55 +/- 1.65   0.577% *  0.0135% (0.14   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 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.8:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  99.016% * 99.9055% (1.00  10.0 10.00   3.44  82.79) =  99.999%  kept
          QD1   LEU  115 - HB    VAL   75  10.68 +/- 1.76   0.984% *  0.0945% (0.95   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 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 82.8:
    * O T QG2   VAL   75 - HB    VAL   75   2.11 +/- 0.01  96.984% * 99.0442% (1.00  10.0 10.00   3.31  82.79) =  99.970%  kept
        T QG2   VAL   42 - HB    VAL   75   7.41 +/- 1.09   3.016% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.030%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T HA    VAL   75 - QG1   VAL   75   2.77 +/- 0.20  92.747% * 99.6578% (1.00  10.0 10.00   4.00  82.79) =  99.989%  kept
        T HA    ALA   61 - QG1   VAL   75   9.08 +/- 2.00   4.090% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.010%
          HD3   PRO   58 - QG1   VAL   75  12.94 +/- 2.23   1.187% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG1   VAL   75  13.31 +/- 1.73   1.026% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  13.01 +/- 1.22   0.950% *  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 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 82.7:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  89.680% * 94.0171% (1.00  10.0 10.00   3.44  82.79) =  99.755%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.50 +/- 0.68   3.536% *  5.7865% (0.31   1.0  1.00   3.99  32.06) =   0.242%  kept
          QD1   LEU   67 - QG1   VAL   75   7.78 +/- 1.06   2.351% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG1   VAL   75   9.38 +/- 1.64   1.599% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QG1   VAL   75   9.68 +/- 1.06   1.144% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL   75  10.79 +/- 1.40   0.788% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  12.36 +/- 2.37   0.903% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T QG2   VAL   75 - QG1   VAL   75   1.99 +/- 0.07  97.466% * 99.9036% (1.00  10.0 10.00   4.00  82.79) =  99.997%  kept
          QG2   VAL   42 - QG1   VAL   75   7.02 +/- 0.77   2.534% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T HA    VAL   75 - QG2   VAL   75   2.18 +/- 0.24  96.263% * 99.8572% (1.00  10.0 10.00   4.00  82.79) =  99.999%  kept
          HD3   PRO   58 - QG2   VAL   75  13.92 +/- 1.88   0.670% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   61 - QG2   VAL   75   9.17 +/- 1.71   2.067% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  13.54 +/- 1.53   0.562% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.81 +/- 1.34   0.437% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 82.7:
    * O T HB    VAL   75 - QG2   VAL   75   2.11 +/- 0.01  88.316% * 94.0016% (1.00  10.0 10.00   3.31  82.79) =  99.738%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.47 +/- 0.85   3.699% *  5.8020% (0.31   1.0  1.00   4.00  32.06) =   0.258%  kept
          QD1   LEU   67 - QG2   VAL   75   7.29 +/- 1.09   2.975% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QG2   VAL   75   9.17 +/- 1.81   1.764% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QG2   VAL   75   8.93 +/- 0.69   1.228% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   75  11.26 +/- 1.21   0.646% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  11.78 +/- 2.58   1.372% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.8:
    * O T QG1   VAL   75 - QG2   VAL   75   1.99 +/- 0.07  98.953% * 99.9055% (1.00  10.0 10.00   4.00  82.79) =  99.999%  kept
          QD1   LEU  115 - QG2   VAL   75   9.96 +/- 1.57   1.047% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 2.84, residual support = 35.3:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.90 +/- 0.14  69.252% * 91.1985% (1.00  10.0 10.00   2.85  35.72) =  98.676%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.49 +/- 0.64  11.780% *  4.7501% (0.73   1.0  1.00   1.43   4.11) =   0.874%  kept
        T QE    LYS+  66 - HA    LEU   67   6.61 +/- 1.03   8.474% *  3.3311% (0.04   1.0 10.00   3.41  14.35) =   0.441%  kept
        T QE    LYS+  66 - HA    ASP-  76  15.85 +/- 3.58   1.324% *  0.2030% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          HB2   ASN   69 - HA    LEU   67   6.90 +/- 0.72   6.213% *  0.0147% (0.16   1.0  1.00   0.02   2.95) =   0.001%
        T HB2   ASP-  76 - HA    LEU   67  16.14 +/- 2.87   0.546% *  0.1496% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    ASP-  76  18.80 +/- 2.62   0.304% *  0.2030% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  15.40 +/- 2.44   0.704% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  19.30 +/- 2.19   0.261% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  17.88 +/- 4.15   0.414% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.53 +/- 3.43   0.329% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  19.65 +/- 3.68   0.400% *  0.0023% (0.03   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 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 35.7:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.65 +/- 0.25  89.398% * 99.2676% (0.87  10.0 10.00   2.98  35.72) =  99.995%  kept
          HG3   MET   92 - HA    ASP-  76  12.19 +/- 2.01   1.334% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - HA    LEU   67  16.06 +/- 3.10   0.641% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  11.58 +/- 1.21   1.167% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ASP-  76  18.29 +/- 1.91   0.349% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  19.23 +/- 3.90   0.333% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  11.16 +/- 1.79   1.597% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  23.20 +/- 2.79   0.193% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  17.30 +/- 2.23   0.403% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  16.04 +/- 3.66   0.741% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  12.08 +/- 3.51   1.749% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  17.80 +/- 3.33   0.403% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  19.43 +/- 3.19   0.378% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  14.35 +/- 2.48   0.836% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  21.39 +/- 2.79   0.203% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  22.43 +/- 3.75   0.273% *  0.0025% (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 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   2.90 +/- 0.14  85.905% * 99.3094% (1.00  10.0 10.00   2.85  35.72) =  99.987%  kept
        T HA    LEU   67 - QE    LYS+  66   6.61 +/- 1.03  10.527% *  0.0515% (0.05   1.0 10.00   0.02  14.35) =   0.006%
        T HA    ASP-  76 - QE    LYS+  66  15.85 +/- 3.58   1.635% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU   67 - HB2   ASP-  76  16.14 +/- 2.87   0.676% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  76 - QE    LYS+  33  18.80 +/- 2.62   0.379% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  15.40 +/- 2.44   0.877% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.83, residual support = 35.7:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  86.907% * 98.9845% (0.87  10.0 10.00   2.83  35.72) =  99.997%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.33 +/- 1.85   6.640% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - QE    LYS+  66  17.04 +/- 3.49   0.234% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    LYS+  33  11.47 +/- 3.22   2.148% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  14.06 +/- 2.32   0.230% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  12.87 +/- 1.90   0.329% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.80 +/- 2.97   0.084% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  18.51 +/- 5.10   0.111% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  19.92 +/- 2.44   0.073% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  11.37 +/- 3.03   0.851% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  23.76 +/- 3.83   0.080% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  11.84 +/- 2.03   0.361% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  17.47 +/- 3.99   0.217% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  19.48 +/- 2.10   0.070% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  17.51 +/- 3.08   0.166% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  20.33 +/- 4.09   0.119% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  21.32 +/- 5.26   0.743% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  21.41 +/- 3.73   0.100% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  20.74 +/- 3.49   0.069% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.87 +/- 3.08   0.139% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  15.35 +/- 1.47   0.145% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  19.50 +/- 3.64   0.115% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.15 +/- 2.15   0.032% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  24.04 +/- 2.78   0.038% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 35.7:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.65 +/- 0.25  99.288% * 99.7513% (0.87  10.0 10.00   2.98  35.72) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  16.06 +/- 3.10   0.712% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.83, residual support = 35.6:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  89.091% * 97.6185% (0.87  10.0 10.00   2.83  35.72) =  99.780%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.80 +/- 1.56  10.386% *  1.8360% (0.63   1.0  1.00   0.52   4.11) =   0.219%  kept
        T QE    LYS+  66 - HB3   ASP-  76  17.04 +/- 3.49   0.238% *  0.2173% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  18.80 +/- 2.97   0.086% *  0.2173% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  20.25 +/- 2.69   0.075% *  0.0957% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  17.51 +/- 4.53   0.124% *  0.0151% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 2.99, residual support = 37.3:
    * O T HB    THR   77 - HA    THR   77   2.58 +/- 0.18  85.821% * 93.3251% (1.00  10.0 10.00   3.00  37.50) =  99.494%  kept
          HA    GLU-  79 - HA    THR   77   6.29 +/- 0.44   6.605% *  6.0811% (0.69   1.0  1.00   1.90   0.02) =   0.499%  kept
          HA    ASP-  44 - HA    THR   77   8.99 +/- 1.12   2.584% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77  10.40 +/- 2.27   1.790% *  0.0933% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - HA    THR   77  16.57 +/- 2.56   0.439% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.76 +/- 1.98   1.107% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  15.26 +/- 2.15   0.509% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  16.05 +/- 4.72   0.727% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  21.62 +/- 1.73   0.168% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  30.52 +/- 4.67   0.068% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.24 +/- 3.97   0.116% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  28.91 +/- 3.01   0.068% *  0.0384% (0.41   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 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T QG2   THR   77 - HA    THR   77   2.49 +/- 0.29  94.566% * 99.7982% (1.00  10.0 10.00   3.00  37.50) =  99.996%  kept
          QB    ALA   88 - HA    THR   77  10.32 +/- 2.39   3.943% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   23 - HA    THR   77  14.05 +/- 4.58   0.938% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  21.84 +/- 2.53   0.191% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  25.25 +/- 1.77   0.107% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  19.29 +/- 2.42   0.255% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - HB    THR   77   2.58 +/- 0.18  96.533% * 99.9104% (1.00  10.0 10.00   3.00  37.50) =  99.998%  kept
          HD2   PRO   93 - HB    THR   77   9.41 +/- 1.69   2.759% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HB    THR   77  15.72 +/- 4.56   0.708% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.5:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.02  91.061% * 99.5496% (1.00  10.0 10.00   2.71  37.50) =  99.992%  kept
          QB    ALA   88 - HB    THR   77   9.64 +/- 2.62   8.233% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.007%
        T QG2   THR   23 - HB    THR   77  15.40 +/- 3.73   0.374% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HB    THR   77  23.05 +/- 2.55   0.088% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  18.21 +/- 2.37   0.193% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  26.75 +/- 1.76   0.050% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - QG2   THR   77   2.49 +/- 0.29  91.043% * 99.9104% (1.00  10.0 10.00   3.00  37.50) =  99.996%  kept
          HD2   PRO   93 - QG2   THR   77   7.01 +/- 1.32   7.921% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HB2   TRP   27 - QG2   THR   77  12.75 +/- 3.58   1.036% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.3:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.02  87.046% * 92.3135% (1.00  10.0 10.00   2.71  37.50) =  99.603%  kept
          HA    ASP-  44 - QG2   THR   77   6.29 +/- 0.86   4.427% *  7.1273% (0.99   1.0  1.00   1.56   0.02) =   0.391%  kept
          HA    GLU-  79 - QG2   THR   77   7.17 +/- 0.57   2.598% *  0.0634% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77   9.10 +/- 1.49   1.551% *  0.0923% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QG2   THR   77  10.75 +/- 1.62   0.868% *  0.0449% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  11.56 +/- 3.84   1.828% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  13.75 +/- 1.74   0.394% *  0.0905% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.51 +/- 1.35   0.910% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  18.17 +/- 1.21   0.154% *  0.0560% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  26.10 +/- 3.45   0.059% *  0.0905% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  21.36 +/- 2.92   0.104% *  0.0285% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  24.66 +/- 2.13   0.063% *  0.0380% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.41, residual support = 39.5:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.86 +/- 0.24  85.292% * 96.4613% (1.00  10.0 10.00   3.42  39.69) =  99.570%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.06 +/- 0.60  10.682% *  3.3118% (0.73   1.0  1.00   0.95   4.11) =   0.428%  kept
          QE    LYS+  65 - HA    ASP-  78  16.75 +/- 4.48   1.218% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  11.26 +/- 1.65   2.057% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  20.39 +/- 5.65   0.381% *  0.0508% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.54 +/- 3.03   0.213% *  0.0624% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  24.81 +/- 2.68   0.157% *  0.0585% (0.61   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 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   2.68 +/- 0.23  95.388% * 99.8720% (1.00  10.0 10.00   2.31  39.69) =  99.998%  kept
          QE    LYS+  74 - HA    ASP-  78  10.10 +/- 1.48   2.419% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HA    ASP-  78  11.10 +/- 2.01   1.891% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  24.75 +/- 3.04   0.146% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  23.94 +/- 2.48   0.156% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.42, residual support = 39.6:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.86 +/- 0.24  88.996% * 97.2204% (1.00  10.0 10.00   3.42  39.69) =  99.766%  kept
          HA    LEU   80 - HB2   ASP-  78   7.14 +/- 1.09   7.599% *  2.6471% (0.49   1.0  1.00   1.12   6.34) =   0.232%  kept
          HA    THR   23 - HB2   ASP-  78  15.38 +/- 7.22   1.984% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB2   ASP-  78  17.24 +/- 6.92   1.226% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  23.24 +/- 2.19   0.195% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 39.7:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  98.083% * 99.8720% (1.00  10.0 10.00   2.81  39.69) =  99.999%  kept
          QE    LYS+  74 - HB2   ASP-  78   8.93 +/- 1.64   1.030% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASP-  78  10.31 +/- 2.43   0.795% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  24.31 +/- 2.98   0.048% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  23.97 +/- 2.53   0.045% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.7:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.68 +/- 0.23  91.218% * 99.8154% (1.00  10.0 10.00   2.31  39.69) =  99.995%  kept
          HA    LEU   80 - HB3   ASP-  78   7.51 +/- 1.06   6.870% *  0.0486% (0.49   1.0  1.00   0.02   6.34) =   0.004%
          HA    THR   23 - HB3   ASP-  78  15.54 +/- 6.77   1.081% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - HB3   ASP-  78  17.37 +/- 6.44   0.666% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  23.36 +/- 2.25   0.165% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 39.6:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  94.454% * 97.3474% (1.00  10.0 10.00   2.81  39.69) =  99.876%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.39 +/- 0.92   4.692% *  2.4235% (0.73   1.0  1.00   0.69   4.11) =   0.124%  kept
          QE    LYS+  65 - HB3   ASP-  78  15.68 +/- 4.60   0.359% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  13.18 +/- 1.87   0.320% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  20.53 +/- 4.91   0.081% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  22.26 +/- 2.71   0.052% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  24.16 +/- 2.81   0.043% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.38, residual support = 56.6:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.94 +/- 0.19  96.494% * 98.4729% (1.00  10.0 10.00   4.38  56.61) =  99.995%  kept
        T HG3   GLU-  36 - HA    GLU-  79  26.79 +/- 2.76   0.145% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU-  79  14.90 +/- 2.57   0.993% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  79  26.07 +/- 5.72   0.274% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  18.11 +/- 8.08   1.021% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU-  79  17.14 +/- 3.72   0.758% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  21.16 +/- 2.28   0.315% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.41 +/- 0.21  98.979% * 99.7507% (1.00  10.0 10.00   3.52  56.61) =  99.999%  kept
          QG    GLN   32 - HA    GLU-  79  21.15 +/- 4.23   0.188% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  25.42 +/- 4.06   0.257% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  19.90 +/- 2.32   0.239% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  20.92 +/- 2.63   0.232% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  25.31 +/- 2.56   0.104% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.37, residual support = 56.5:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.94 +/- 0.19  88.573% * 97.2636% (1.00  10.0 10.00   4.38  56.61) =  99.836%  kept
          HB    THR   77 - HB2   GLU-  79   7.33 +/- 0.54   6.221% *  2.2224% (0.69   1.0  1.00   0.67   0.02) =   0.160%  kept
          HA    ASP-  44 - HB2   GLU-  79  11.69 +/- 1.55   1.746% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  12.73 +/- 0.91   1.203% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLU-  79  18.09 +/- 3.53   0.727% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLU-  79  17.95 +/- 2.30   0.466% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  18.39 +/- 4.70   0.597% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  21.45 +/- 2.13   0.275% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  28.13 +/- 6.55   0.190% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.28 +/- 0.12  99.006% * 99.7507% (1.00  10.0 10.00   3.50  56.61) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  19.93 +/- 4.49   0.222% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  23.56 +/- 3.70   0.153% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.13 +/- 2.63   0.271% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  18.90 +/- 2.83   0.248% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  23.89 +/- 2.58   0.100% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.01 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   2.41 +/- 0.21  93.960% * 99.4064% (1.00  10.0 10.00   3.52  56.61) =  99.995%  kept
          HB    THR   77 - QG    GLU-  79   8.48 +/- 0.34   2.394% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - QG    GLU-  79  17.24 +/- 3.76   0.791% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG    GLU-  79  12.12 +/- 1.63   0.996% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG    GLU-  79  12.32 +/- 0.56   0.779% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - QG    GLU-  79  19.72 +/- 2.40   0.277% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  17.48 +/- 2.20   0.286% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  17.91 +/- 4.27   0.352% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  24.60 +/- 6.55   0.165% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 56.6:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.28 +/- 0.12  97.471% * 99.5443% (1.00  10.0 10.00   3.50  56.61) =  99.998%  kept
          HG3   GLU-  25 - QG    GLU-  79  14.94 +/- 7.97   1.102% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QG    GLU-  79  14.59 +/- 2.44   0.486% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  16.63 +/- 3.27   0.361% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  19.25 +/- 2.48   0.213% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.53 +/- 3.20   0.127% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  22.19 +/- 5.63   0.240% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.01 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 = 5.7, residual support = 85.1:
    *   T QD1   LEU   80 - HA    LEU   80   2.55 +/- 0.68  93.357% * 98.6414% (0.65 10.00   5.70  85.08) =  99.977%  kept
        T QD2   LEU   98 - HA    LEU   80  14.57 +/- 3.94   1.689% *  0.9864% (0.65 10.00   0.02   0.02) =   0.018%
          QG2   VAL   41 - HA    LEU   80  14.49 +/- 2.94   1.321% *  0.1274% (0.84  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HA    LEU   80  11.47 +/- 3.23   2.290% *  0.0520% (0.34  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    LEU   80  17.11 +/- 1.72   0.585% *  0.1408% (0.92  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    LEU   80  16.57 +/- 2.66   0.759% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 84.8:
    * O   HA    LEU   80 - HB2   LEU   80   2.82 +/- 0.16  84.436% * 96.1966% (1.00  10.0   5.32  85.08) =  99.691%  kept
          HA    ASP-  78 - HB2   LEU   80   6.74 +/- 0.76   7.418% *  2.6752% (0.49   1.0   1.14   6.34) =   0.244%  kept
          HA    THR   23 - HB2   LEU   80  13.74 +/- 9.48   5.282% *  0.9619% (0.80   1.0   0.25   0.86) =   0.062%
          HB    THR   23 - HB2   LEU   80  15.51 +/- 9.05   2.549% *  0.0928% (0.97   1.0   0.02   0.86) =   0.003%
          HA    ASP- 105 - HB2   LEU   80  20.62 +/- 4.35   0.316% *  0.0735% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 5.03, residual support = 85.0:
    * O T QD1   LEU   80 - HB2   LEU   80   2.89 +/- 0.46  87.746% * 97.5236% (0.65  10.0 10.00   5.03  85.08) =  99.932%  kept
        T QD2   LEU   98 - HB2   LEU   80  13.37 +/- 4.36   3.634% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.041%
        T QG2   VAL   41 - HB2   LEU   80  13.38 +/- 3.35   1.434% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.021%
          QD1   LEU   73 - HB2   LEU   80  10.51 +/- 3.50   5.262% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   LEU   80  16.00 +/- 2.71   0.772% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   LEU   80  15.44 +/- 3.65   1.152% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.08 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.644, support = 5.62, residual support = 83.8:
    *   T HA    LEU   80 - QD1   LEU   80   2.55 +/- 0.68  59.754% * 92.5536% (0.65 10.00   5.70  85.08) =  98.483%  kept
          HA    THR   23 - QD1   LEU   80  11.10 +/- 8.64  18.354% *  3.1171% (0.52  1.00   0.84   0.86) =   1.019%  kept
          HA    ASP-  78 - QD1   LEU   80   6.88 +/- 0.95   9.349% *  1.8496% (0.31  1.00   0.82   6.34) =   0.308%  kept
          HB    THR   23 - QD1   LEU   80  12.50 +/- 8.33   5.768% *  1.7185% (0.62  1.00   0.38   0.86) =   0.177%  kept
        T HA    LEU   80 - QD2   LEU   98  14.57 +/- 3.94   0.967% *  0.5305% (0.37 10.00   0.02   0.02) =   0.009%
          HA    ASP- 105 - QD2   LEU   98   8.22 +/- 0.91   3.419% *  0.0405% (0.28  1.00   0.02   6.39) =   0.002%
          HB    THR   23 - QD2   LEU   98  15.16 +/- 3.21   0.782% *  0.0512% (0.36  1.00   0.02   0.02) =   0.001%
          HA    THR   23 - QD2   LEU   98  14.70 +/- 3.03   0.704% *  0.0425% (0.30  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - QD1   LEU   80  18.33 +/- 3.69   0.371% *  0.0707% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  15.94 +/- 2.96   0.534% *  0.0258% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 110.6:
    * O T QB    LYS+  81 - HA    LYS+  81   2.41 +/- 0.16  94.028% * 97.5498% (1.00  10.0 10.00   5.16 110.62) =  99.992%  kept
          HB3   GLN   90 - HA    LYS+  81   9.01 +/- 1.82   2.463% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   ARG+  54 - HA    LYS+  81  19.59 +/- 3.17   0.234% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LYS+  81  25.87 +/- 3.44   0.098% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  17.89 +/- 3.94   0.373% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  81  17.24 +/- 2.44   0.351% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  12.07 +/- 2.26   1.155% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  20.58 +/- 3.72   0.243% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  22.60 +/- 4.48   0.162% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  20.24 +/- 3.10   0.205% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  22.85 +/- 2.99   0.151% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  20.06 +/- 5.42   0.278% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.82 +/- 2.62   0.065% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  24.65 +/- 3.16   0.106% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  29.35 +/- 3.43   0.090% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 110.6:
    * O T QG    LYS+  81 - HA    LYS+  81   2.48 +/- 0.56  98.458% * 98.1658% (1.00  10.0 10.00   5.20 110.62) =  99.996%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  20.15 +/- 3.11   0.233% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - HA    LYS+  81  24.10 +/- 4.80   0.163% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+  81  14.27 +/- 1.88   0.952% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  22.49 +/- 2.61   0.193% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.07 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.6:
    *   T QD    LYS+  81 - HA    LYS+  81   3.62 +/- 0.68  96.826% * 99.7569% (1.00 10.00   3.44 110.62) =  99.997%  kept
          HB    VAL   43 - HA    LYS+  81  13.79 +/- 2.15   2.297% *  0.0989% (0.99  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HA    LYS+  81  24.56 +/- 3.15   0.455% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  26.02 +/- 5.73   0.422% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.6:
    *   T QE    LYS+  81 - HA    LYS+  81   3.89 +/- 0.44  87.111% * 99.9825% (1.00 10.00   3.44 110.62) =  99.997%  kept
          HB3   TRP   49 - HA    LYS+  81  14.24 +/- 3.31  12.889% *  0.0175% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 110.6:
    * O T HA    LYS+  81 - QB    LYS+  81   2.41 +/- 0.16  93.520% * 98.7606% (1.00  10.0 10.00   5.16 110.62) =  99.995%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.68 +/- 0.29   3.032% *  0.0733% (0.07   1.0 10.00   0.02   1.93) =   0.002%
        T HA    ARG+  54 - QB    LYS+  81  18.68 +/- 2.81   0.265% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HB3   PRO   52  17.89 +/- 3.94   0.371% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  21.34 +/- 1.67   0.151% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  13.67 +/- 1.85   0.646% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  17.59 +/- 6.46   0.556% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  27.34 +/- 3.47   0.078% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  25.53 +/- 5.62   0.761% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  30.91 +/- 3.43   0.060% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  20.56 +/- 3.22   0.213% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  21.66 +/- 4.23   0.223% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.10 +/- 2.74   0.037% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.73 +/- 2.40   0.087% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 110.6:
    * O T QG    LYS+  81 - QB    LYS+  81   2.09 +/- 0.02  97.712% * 97.8497% (1.00  10.0 10.00   5.43 110.62) =  99.997%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  19.77 +/- 2.93   0.150% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QB    LYS+  81  22.20 +/- 4.58   0.111% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - HB3   PRO   52  16.96 +/- 3.75   0.297% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  20.18 +/- 2.53   0.121% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  13.74 +/- 1.68   0.428% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.94 +/- 3.27   0.047% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  21.97 +/- 2.40   0.096% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  12.30 +/- 2.60   0.757% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  16.75 +/- 3.36   0.281% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 110.6:
    * O T QD    LYS+  81 - QB    LYS+  81   2.14 +/- 0.13  98.697% * 99.6151% (1.00  10.0 10.00   3.93 110.62) =  99.999%  kept
          HB    VAL   43 - QB    LYS+  81  14.00 +/- 1.96   0.415% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  17.72 +/- 3.69   0.337% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  23.34 +/- 2.82   0.095% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.91 +/- 5.13   0.100% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.23 +/- 1.64   0.217% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.51 +/- 2.77   0.072% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  26.13 +/- 3.96   0.066% *  0.0051% (0.05   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 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 110.6:
    *     QE    LYS+  81 - QB    LYS+  81   3.00 +/- 0.57  92.964% * 99.8424% (1.00   3.93 110.62) =  99.996%  kept
          HB3   TRP   49 - QB    LYS+  81  13.60 +/- 3.38   2.662% *  0.0890% (0.18   0.02   0.02) =   0.003%
          QE    LYS+  81 - HB3   PRO   52  17.01 +/- 4.08   1.157% *  0.0583% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52  10.07 +/- 0.81   3.216% *  0.0102% (0.02   0.02   3.36) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 110.6:
    * O T HA    LYS+  81 - QG    LYS+  81   2.48 +/- 0.56  86.904% * 98.8267% (1.00  10.0 10.00   5.20 110.62) =  99.995%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.27 +/- 0.46   3.489% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+  33  24.10 +/- 4.80   0.144% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG2   LYS+ 106  20.15 +/- 3.11   0.206% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG2   LYS+  33   8.47 +/- 0.75   3.184% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  18.09 +/- 2.92   0.399% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  18.20 +/- 6.43   0.575% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  23.59 +/- 5.50   0.256% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  27.94 +/- 3.56   0.089% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.32 +/- 2.39   1.792% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  21.49 +/- 3.87   0.345% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  30.88 +/- 3.70   0.067% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.49 +/- 4.37   0.157% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  21.02 +/- 4.82   0.283% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  21.79 +/- 1.77   0.184% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  21.15 +/- 2.39   0.264% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  22.53 +/- 3.86   0.381% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  21.16 +/- 1.98   0.180% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  19.33 +/- 2.39   0.329% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.44 +/- 3.80   0.529% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  21.59 +/- 3.52   0.241% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.785, support = 5.47, residual support = 123.8:
    * O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  35.282% * 56.3115% (1.00  10.0 10.00   5.43 110.62) =  64.947%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.07  28.408% * 26.0191% (0.46  10.0 10.00   5.63 154.86) =  24.162%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.30 +/- 0.13  26.619% * 12.3626% (0.22  10.0 10.00   5.38 135.02) =  10.757%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.45 +/- 0.81   1.451% *  2.6518% (0.20   1.0  1.00   4.77  23.72) =   0.126%  kept
        T QB    LYS+ 106 - QG    LYS+  81  17.22 +/- 2.40   0.079% *  0.5619% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG    LYS+  81   8.93 +/- 2.12   0.725% *  0.0558% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.19 +/- 0.76   2.749% *  0.0101% (0.18   1.0  1.00   0.02   0.52) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  21.22 +/- 4.38   0.046% *  0.5434% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   LYS+ 106   5.75 +/- 1.40   2.233% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  18.08 +/- 1.71   0.062% *  0.2690% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  22.20 +/- 4.58   0.040% *  0.2696% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  16.96 +/- 3.75   0.105% *  0.0869% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.18 +/- 1.72   0.059% *  0.1196% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  19.77 +/- 2.93   0.053% *  0.1239% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.20 +/- 3.09   0.077% *  0.0488% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.57 +/- 1.31   0.242% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.25 +/- 2.43   0.249% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.38 +/- 3.51   0.054% *  0.0470% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  17.60 +/- 3.34   0.102% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  19.45 +/- 3.18   0.056% *  0.0409% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  18.37 +/- 3.24   0.083% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  22.39 +/- 2.88   0.035% *  0.0505% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  16.67 +/- 1.89   0.079% *  0.0225% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.14 +/- 5.14   0.071% *  0.0211% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  24.24 +/- 2.96   0.027% *  0.0451% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.61 +/- 4.21   0.045% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  20.18 +/- 2.53   0.043% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.94 +/- 3.27   0.017% *  0.0416% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  16.51 +/- 1.52   0.076% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.18 +/- 4.96   0.181% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.30 +/- 2.38   0.018% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.80 +/- 4.50   0.024% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  20.07 +/- 2.30   0.045% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.70 +/- 2.72   0.074% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.68 +/- 4.09   0.050% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.21 +/- 2.91   0.014% *  0.0267% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.90 +/- 2.22   0.030% *  0.0107% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.37 +/- 2.34   0.069% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.17 +/- 1.76   0.103% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.23 +/- 3.26   0.031% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  27.65 +/- 3.47   0.025% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  23.15 +/- 4.17   0.038% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.58 +/- 2.09   0.018% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  19.02 +/- 4.02   0.064% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.00 +/- 3.21   0.052% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.06, residual support = 110.6:
    * O T QD    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  94.629% * 98.8994% (1.00  10.0 10.00   4.06 110.62) =  99.997%  kept
        T QD    LYS+  81 - HG2   LYS+  33  23.74 +/- 4.47   0.082% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  14.17 +/- 2.22   0.385% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  13.43 +/- 2.98   0.658% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+ 106   9.41 +/- 1.82   1.369% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  20.85 +/- 3.08   0.120% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  10.81 +/- 1.80   1.145% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  14.15 +/- 4.24   1.087% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.12 +/- 1.87   0.280% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.80 +/- 2.90   0.085% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  24.01 +/- 5.48   0.084% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  24.60 +/- 3.91   0.077% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.06, residual support = 110.6:
    * O   QE    LYS+  81 - QG    LYS+  81   2.13 +/- 0.14  86.693% * 99.9005% (1.00  10.0   4.06 110.62) =  99.997%  kept
          HB3   TRP   49 - QG    LYS+  81  12.82 +/- 3.37  13.002% *  0.0175% (0.18   1.0   0.02   0.02) =   0.003%
          QE    LYS+  81 - HG2   LYS+  33  23.83 +/- 4.61   0.082% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  20.65 +/- 3.15   0.116% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.81 +/- 2.78   0.034% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  24.52 +/- 2.48   0.073% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.6:
    *   T HA    LYS+  81 - QD    LYS+  81   3.62 +/- 0.68  95.978% * 99.7133% (1.00 10.00   3.44 110.62) =  99.998%  kept
          HA    ARG+  54 - QD    LYS+  81  19.19 +/- 2.79   0.921% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QD    LYS+  81  28.89 +/- 3.23   0.244% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  19.15 +/- 6.38   1.268% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  31.93 +/- 3.66   0.239% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  22.84 +/- 4.28   0.868% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  22.25 +/- 1.96   0.482% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 110.6:
    * O T QB    LYS+  81 - QD    LYS+  81   2.14 +/- 0.13  95.032% * 98.9997% (1.00  10.0 10.00   3.93 110.62) =  99.995%  kept
          HB3   GLN   90 - QD    LYS+  81   8.97 +/- 2.36   2.760% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PRO   52 - QD    LYS+  81  17.72 +/- 3.69   0.324% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD    LYS+  81  19.26 +/- 3.06   0.232% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  17.96 +/- 2.33   0.189% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  12.91 +/- 2.29   0.583% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  21.15 +/- 3.36   0.125% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  22.11 +/- 4.14   0.108% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  20.59 +/- 2.96   0.141% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  23.39 +/- 2.51   0.083% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  25.58 +/- 3.28   0.075% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  20.26 +/- 4.91   0.155% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.37 +/- 2.02   0.043% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  24.44 +/- 3.21   0.086% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  28.77 +/- 3.41   0.063% *  0.0153% (0.15   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 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.06, residual support = 110.6:
    * O T QG    LYS+  81 - QD    LYS+  81   2.08 +/- 0.03  99.365% * 98.1658% (1.00  10.0 10.00   4.06 110.62) =  99.998%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  20.85 +/- 3.08   0.126% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  33 - QD    LYS+  81  23.74 +/- 4.47   0.086% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD    LYS+  81  14.89 +/- 1.93   0.329% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  22.54 +/- 2.78   0.094% *  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 = 110.6:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.03  90.106% * 99.9825% (1.00  10.0   3.00 110.62) =  99.998%  kept
          HB3   TRP   49 - QD    LYS+  81  13.40 +/- 3.57   9.894% *  0.0175% (0.18   1.0   0.02   0.02) =   0.002%
    Distance limit 3.47 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 = 110.6:
    *   T HA    LYS+  81 - QE    LYS+  81   3.89 +/- 0.44  95.040% * 99.7133% (1.00 10.00   3.44 110.62) =  99.998%  kept
          HA    ARG+  54 - QE    LYS+  81  18.54 +/- 2.90   1.390% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QE    LYS+  81  19.26 +/- 6.34   1.532% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  29.01 +/- 3.56   0.271% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  31.59 +/- 3.56   0.255% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  22.46 +/- 4.10   0.919% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  21.76 +/- 1.97   0.594% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.10 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.7:
    * O T HB2   SER   82 - HA    SER   82   2.71 +/- 0.22  83.210% * 97.1708% (0.95  10.0 10.00   2.96  34.66) =  99.973%  kept
        T HA    SER   48 - HA    SER   82  16.02 +/- 3.37   0.861% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   SER   82 - HA    GLU-  25  17.79 +/-11.08   2.016% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.008%
          HA    ALA   88 - HA    SER   82   8.13 +/- 0.53   3.263% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - HA    GLU-  25   6.96 +/- 0.47   5.487% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HA    GLU-  25  23.19 +/- 5.23   0.191% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    SER   82  25.12 +/- 2.12   0.119% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  18.80 +/- 2.44   0.314% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HA    SER   82  23.21 +/- 8.83   0.341% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.69 +/- 0.68   1.130% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.17 +/- 1.15   0.886% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  24.75 +/- 7.94   0.236% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  15.45 +/- 1.75   0.553% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.82 +/- 3.24   0.275% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  25.71 +/- 7.24   0.151% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  26.87 +/- 6.80   0.147% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  24.08 +/- 7.42   0.223% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  26.40 +/- 5.32   0.396% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  27.21 +/- 2.71   0.096% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  26.28 +/- 2.65   0.108% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.7:
    * O T HB3   SER   82 - HA    SER   82   2.87 +/- 0.23  87.108% * 98.8194% (1.00  10.0 10.00   2.00  34.66) =  99.985%  kept
        T HB3   SER   82 - HA    GLU-  25  17.60 +/-11.14   2.820% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.010%
          HA    ILE   89 - HA    SER   82  10.85 +/- 0.70   1.724% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HA    GLU-  25  16.97 +/- 4.73   2.352% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    SER   82  20.07 +/- 2.64   0.331% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.51 +/- 0.48   2.557% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    SER   82  20.50 +/- 3.60   0.329% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  23.42 +/- 7.24   0.319% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.69 +/- 2.03   0.430% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  26.29 +/- 3.34   0.138% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  24.57 +/- 2.70   0.174% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.53 +/- 1.95   0.445% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  29.11 +/- 4.29   0.112% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  28.48 +/- 4.30   0.117% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  24.11 +/- 5.04   0.554% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  24.06 +/- 5.58   0.226% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  25.34 +/- 2.92   0.150% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  27.42 +/- 2.84   0.115% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.7:
    * O T HA    SER   82 - HB2   SER   82   2.71 +/- 0.22  83.663% * 97.8439% (0.95  10.0 10.00   2.96  34.66) =  99.976%  kept
        T HA    GLU-  25 - HB2   SER   82  17.79 +/-11.08   2.033% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.015%
        T HA    SER   82 - HA    SER   48  16.02 +/- 3.37   0.868% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLU-  25 - HA    VAL   70  18.80 +/- 2.44   0.317% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  25 - HA    SER   48  23.19 +/- 5.23   0.192% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HA    SER   48   9.88 +/- 2.34   5.541% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - HA    SER   48  15.59 +/- 4.94   2.998% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  25.12 +/- 2.12   0.119% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  12.21 +/- 4.43   1.645% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.68 +/- 1.66   1.511% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  23.46 +/- 7.65   0.233% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  20.57 +/- 5.48   0.276% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  24.62 +/- 2.51   0.126% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.71 +/- 2.89   0.199% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  19.28 +/- 2.00   0.279% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.7:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  85.623% * 96.7159% (0.95  10.0 10.00   2.33  34.66) =  99.986%  kept
        T HD3   PRO   52 - HA    SER   48   8.86 +/- 1.30   1.018% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   SER   37 - HA    VAL   70  10.54 +/- 3.12   1.469% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.004%
          HB    THR   39 - HA    VAL   70   7.29 +/- 3.72   4.671% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   SER   82 - HA    SER   48  16.35 +/- 2.97   0.194% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    VAL   70  15.34 +/- 3.47   0.182% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HA    SER   48   7.82 +/- 2.31   4.807% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   SER   82  21.78 +/- 3.51   0.056% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.50 +/- 0.74   0.244% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.69 +/- 2.86   0.039% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.75 +/- 2.48   0.244% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  23.90 +/- 2.66   0.041% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.48 +/- 2.35   0.416% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  21.76 +/- 8.11   0.102% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  14.51 +/- 3.57   0.381% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  24.78 +/- 4.04   0.039% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  27.98 +/- 4.91   0.028% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  26.83 +/- 5.05   0.032% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.73 +/- 4.49   0.040% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  24.19 +/- 4.13   0.044% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  25.79 +/- 2.40   0.030% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.87 +/- 2.71   0.062% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.24 +/- 2.62   0.070% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  25.20 +/- 3.40   0.035% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.57 +/- 3.02   0.023% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  24.19 +/- 2.48   0.036% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  19.54 +/- 2.53   0.075% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.7:
    * O T HA    SER   82 - HB3   SER   82   2.87 +/- 0.23  96.018% * 99.1601% (1.00  10.0 10.00   2.00  34.66) =  99.980%  kept
        T HA    GLU-  25 - HB3   SER   82  17.60 +/-11.14   3.108% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.020%
        T HA    CYS   53 - HB3   SER   82  21.33 +/- 2.95   0.287% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  23.02 +/- 7.79   0.377% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  24.22 +/- 2.79   0.211% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.7:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  98.717% * 97.6038% (0.95  10.0 10.00   2.33  34.66) =  99.996%  kept
        T HA    SER   48 - HB3   SER   82  16.35 +/- 2.97   0.223% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HB3   SER   82  20.58 +/- 3.08   0.075% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   SER   82  10.22 +/- 0.53   0.509% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.69 +/- 2.86   0.045% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  21.29 +/- 9.74   0.172% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  22.96 +/- 8.68   0.103% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  24.34 +/- 7.92   0.063% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  24.97 +/- 7.65   0.063% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  27.07 +/- 3.15   0.031% *  0.0424% (0.41   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 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 85.3:
    * O T HB    VAL   83 - HA    VAL   83   2.84 +/- 0.17  95.142% * 96.5761% (0.90  10.0 10.00   3.97  85.32) =  99.983%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.69 +/- 2.72   0.762% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  65 - HA    VAL   83  20.38 +/- 3.42   0.386% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T QB    ALA   57 - HA    VAL   83  19.08 +/- 3.66   0.506% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HA    VAL   83  24.65 +/- 4.59   0.194% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    VAL   83  17.85 +/- 6.08   1.209% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    VAL   83  24.83 +/- 4.75   0.203% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  16.21 +/- 1.99   0.680% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.10 +/- 4.09   0.274% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  21.35 +/- 5.91   0.401% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  28.89 +/- 4.28   0.123% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  29.90 +/- 4.63   0.121% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 85.3:
    * O T QG1   VAL   83 - HA    VAL   83   2.25 +/- 0.37  86.446% * 99.0720% (0.87  10.0 10.00   4.17  85.32) =  99.949%  kept
          QD2   LEU   80 - HA    VAL   83   5.90 +/- 1.12   6.678% *  0.6081% (0.80   1.0  1.00   0.13   0.15) =   0.047%
          QG2   ILE   89 - HA    VAL   83   6.67 +/- 0.55   4.837% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HA    VAL   83  12.80 +/- 3.54   0.848% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  17.76 +/- 3.98   0.310% *  0.1102% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  17.94 +/- 2.64   0.331% *  0.0873% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  17.19 +/- 3.60   0.549% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 85.2:
    * O T QG2   VAL   83 - HA    VAL   83   2.73 +/- 0.35  89.349% * 98.5041% (1.00  10.0 10.00   4.37  85.32) =  99.877%  kept
          QD1   ILE   89 - HA    VAL   83   7.06 +/- 1.32   7.454% *  1.4244% (0.90   1.0  1.00   0.32   0.02) =   0.120%  kept
          QD2   LEU   31 - HA    VAL   83  14.21 +/- 7.02   3.198% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 85.3:
    * O T HA    VAL   83 - HB    VAL   83   2.84 +/- 0.17  98.347% * 97.8171% (0.90  10.0 10.00   3.97  85.32) =  99.991%  kept
        T HA    GLU- 100 - HB    VAL   83  21.39 +/- 5.34   0.495% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   PRO   58 - HB    VAL   83  22.04 +/- 3.70   0.297% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HB    VAL   83  23.46 +/- 4.27   0.227% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  16.95 +/- 2.61   0.635% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.25, residual support = 85.1:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.02  69.826% * 99.0720% (0.78  10.0 10.00   4.26  85.32) =  99.769%  kept
          QD2   LEU   80 - HB    VAL   83   4.17 +/- 1.46  25.995% *  0.6081% (0.72   1.0  1.00   0.13   0.15) =   0.228%  kept
          QG2   ILE   89 - HB    VAL   83   6.64 +/- 0.74   2.499% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83  11.20 +/- 3.29   0.888% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB    VAL   83  17.07 +/- 3.85   0.278% *  0.1102% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  16.93 +/- 2.59   0.221% *  0.0873% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.69 +/- 3.31   0.293% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 4.45, residual support = 85.3:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.02  93.716% * 98.5041% (0.90  10.0 10.00   4.46  85.32) =  99.929%  kept
          QD1   ILE   89 - HB    VAL   83   7.26 +/- 1.64   4.524% *  1.4244% (0.80   1.0  1.00   0.32   0.02) =   0.070%
          QD2   LEU   31 - HB    VAL   83  12.98 +/- 6.47   1.759% *  0.0715% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 85.3:
    * O T HA    VAL   83 - QG1   VAL   83   2.25 +/- 0.37  97.416% * 99.7372% (0.87  10.0 10.00   4.17  85.32) =  99.998%  kept
          HA    GLU- 100 - QG1   VAL   83  17.00 +/- 5.05   1.020% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG1   VAL   83  18.62 +/- 3.32   0.526% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG1   VAL   83  14.77 +/- 2.50   0.797% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  18.91 +/- 4.17   0.240% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.26, residual support = 85.3:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.02  95.235% * 99.3915% (0.78  10.0 10.00   4.26  85.32) =  99.997%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.45 +/- 2.38   0.860% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QG1   VAL   83  14.16 +/- 4.71   1.022% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  15.56 +/- 2.87   0.361% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  15.04 +/- 3.27   0.683% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  19.52 +/- 4.14   0.173% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.19 +/- 2.26   0.653% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  19.09 +/- 3.82   0.177% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  19.11 +/- 3.48   0.233% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  16.26 +/- 5.01   0.418% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  22.89 +/- 3.69   0.096% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  23.72 +/- 3.92   0.089% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.53, residual support = 83.1:
    * O T QG2   VAL   83 - QG1   VAL   83   2.04 +/- 0.06  80.411% * 87.3111% (0.87  10.0 10.00   4.64  85.32) =  97.403%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.16 +/- 1.50  14.802% * 12.6255% (0.78   1.0 10.00   0.32   0.02) =   2.593%  kept
          QD2   LEU   31 - QG1   VAL   83  10.44 +/- 6.00   4.787% *  0.0634% (0.63   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 62.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 85.3:
    * O T HA    VAL   83 - QG2   VAL   83   2.73 +/- 0.35  96.566% * 99.7372% (1.00  10.0 10.00   4.37  85.32) =  99.997%  kept
          HA    GLU- 100 - QG2   VAL   83  17.55 +/- 4.42   1.296% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG2   VAL   83  13.15 +/- 1.97   1.199% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG2   VAL   83  17.20 +/- 2.97   0.523% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG2   VAL   83  19.36 +/- 3.81   0.416% *  0.0197% (0.20   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 996 (1.66, 0.08, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.46, residual support = 85.3:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.02  94.963% * 99.3915% (0.90  10.0 10.00   4.46  85.32) =  99.997%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.83 +/- 2.70   1.143% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QG2   VAL   83  14.87 +/- 2.85   0.481% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QG2   VAL   83  13.85 +/- 3.03   0.633% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  14.44 +/- 4.20   0.641% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  11.40 +/- 1.79   0.948% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  18.58 +/- 3.69   0.195% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  19.51 +/- 3.55   0.158% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  17.36 +/- 3.22   0.277% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  16.80 +/- 4.41   0.328% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  21.89 +/- 3.47   0.118% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  22.74 +/- 3.74   0.115% *  0.0219% (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 997 (0.60, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 4.6, residual support = 84.6:
    * O T QG1   VAL   83 - QG2   VAL   83   2.04 +/- 0.06  69.028% * 94.0237% (0.87  10.0 10.00   4.64  85.32) =  99.123%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.34 +/- 0.79   9.045% *  5.1226% (0.25   1.0 10.00   0.38   0.02) =   0.708%  kept
          QD2   LEU   80 - QG2   VAL   83   4.36 +/- 1.17  18.915% *  0.5771% (0.80   1.0  1.00   0.13   0.15) =   0.167%  kept
          QD1   LEU   73 - QG2   VAL   83   9.25 +/- 2.81   1.364% *  0.0446% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QG2   VAL   83  13.60 +/- 3.17   0.490% *  0.1046% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QG2   VAL   83  12.97 +/- 2.20   0.532% *  0.0828% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - QG2   VAL   83  12.31 +/- 3.05   0.625% *  0.0446% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.83, residual support = 17.8:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  92.965% * 99.1332% (0.93  10.0 10.00   2.83  17.84) =  99.995%  kept
          HB3   LEU   80 - HA    ALA   84   6.77 +/- 1.00   3.534% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    ALA   84  17.87 +/- 4.87   0.552% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    ALA   84  12.33 +/- 1.14   0.525% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    ALA   84  13.27 +/- 1.89   0.488% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    ALA   84  19.33 +/- 2.40   0.143% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  16.30 +/- 3.24   0.287% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  20.71 +/- 6.40   0.200% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  26.64 +/- 3.50   0.077% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  19.60 +/- 2.86   0.149% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  15.70 +/- 2.91   0.291% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  19.71 +/- 2.61   0.143% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  21.61 +/- 5.19   0.159% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  17.82 +/- 2.51   0.202% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  20.58 +/- 3.94   0.148% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  24.36 +/- 3.99   0.092% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  28.27 +/- 3.57   0.046% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.83, residual support = 17.8:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  97.466% * 99.6067% (0.93  10.0 10.00   2.83  17.84) =  99.997%  kept
          HB2   TRP   49 - QB    ALA   84  12.21 +/- 2.73   1.857% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - QB    ALA   84  15.32 +/- 3.22   0.413% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  19.73 +/- 1.97   0.137% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  20.00 +/- 1.80   0.127% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.39 +/- 0.10  49.632% * 98.0072% (1.00  10.0 10.00   2.26  18.03) =  99.962%  kept
          HA    ALA   88 - HA    SER   85   2.51 +/- 0.63  48.536% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.027%
        T QB    SER   48 - HA    SER   85  13.69 +/- 3.35   0.582% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.007%
        T HD2   PRO   52 - HA    SER   85  17.82 +/- 3.01   0.161% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HA2   GLY   51 - HA    SER   85  20.18 +/- 3.24   0.110% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   85  12.76 +/- 2.00   0.397% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  23.54 +/- 2.29   0.056% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  24.65 +/- 3.63   0.061% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.85 +/- 3.40   0.324% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  29.84 +/- 3.39   0.034% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  33.50 +/- 5.42   0.021% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  27.09 +/- 6.91   0.056% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  29.55 +/- 3.53   0.030% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.992, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.39 +/- 0.10  68.009% * 91.4169% (1.00  10.0 10.00   2.26  18.03) =  98.794%  kept
          HA    ASP-  86 - QB    SER   85   4.02 +/- 0.18  15.049% *  4.9673% (0.38   1.0  1.00   2.90  13.44) =   1.188%  kept
        T HA    SER   85 - QB    SER   48  13.69 +/- 3.35   0.853% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HA1   GLY   51 - QB    SER   48   8.75 +/- 1.00   1.658% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ILE  103 - QB    SER   85  19.31 +/- 4.41   0.201% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - QB    SER   85   9.81 +/- 2.18   1.589% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   85  18.73 +/- 2.74   0.171% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  14.56 +/- 2.45   0.369% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.70 +/- 0.83   0.806% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    SER   48   8.74 +/- 1.92   1.871% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   48  10.33 +/- 3.53   2.407% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  25.68 +/- 3.06   0.063% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  15.71 +/- 1.66   0.273% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  21.24 +/- 1.93   0.108% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.32 +/- 3.91   3.036% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  18.93 +/- 2.49   0.168% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.42 +/- 1.27   0.576% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.04 +/- 1.96   0.168% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  24.47 +/- 2.92   0.084% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  23.54 +/- 2.29   0.079% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  12.92 +/- 1.51   0.526% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.51 +/- 4.92   0.034% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.25 +/- 2.96   0.353% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  19.01 +/- 2.03   0.161% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.96 +/- 3.61   0.111% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.13 +/- 1.35   0.461% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  32.33 +/- 3.97   0.034% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  29.17 +/- 5.62   0.055% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  29.54 +/- 4.15   0.041% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.45 +/- 5.07   0.197% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  31.77 +/- 5.49   0.060% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  23.83 +/- 2.13   0.075% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  24.38 +/- 5.33   0.103% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  27.63 +/- 5.11   0.069% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  29.68 +/- 5.47   0.102% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  23.56 +/- 3.15   0.082% *  0.0053% (0.06   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 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 42.5:
    * O T HB2   ASP-  86 - HA    ASP-  86   2.87 +/- 0.19  97.355% * 99.6568% (1.00  10.0 10.00   3.55  42.50) =  99.999%  kept
          HB2   ASN   28 - HA    ASP-  86  21.76 +/- 9.69   0.725% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASP-  86  23.65 +/- 3.83   0.258% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  14.42 +/- 2.16   1.156% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  27.15 +/- 7.89   0.233% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  24.43 +/- 6.10   0.274% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 42.5:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.80 +/- 0.20  96.581% * 98.9853% (1.00  10.0 10.00   2.31  42.50) =  99.997%  kept
        T HB3   ASP-  62 - HA    ASP-  86  25.54 +/- 2.93   0.146% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    ASP-  86  13.49 +/- 2.04   1.131% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HA    ASP-  86  15.66 +/- 4.92   1.034% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  25.23 +/- 9.02   0.295% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  21.10 +/- 3.41   0.306% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  19.13 +/- 3.21   0.394% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  30.44 +/- 6.55   0.113% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.55, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   2.87 +/- 0.19  83.777% * 94.7259% (1.00  10.0 10.00   3.55  42.50) =  99.340%  kept
          HA    SER   85 - HB2   ASP-  86   5.86 +/- 0.37  10.784% *  4.8664% (0.38   1.0  1.00   2.74  13.44) =   0.657%  kept
          HB    THR   77 - HB2   ASP-  86  10.57 +/- 2.29   2.669% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   ASP-  86  14.51 +/- 2.74   0.906% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  19.91 +/- 5.28   0.468% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  16.75 +/- 5.87   1.171% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  30.59 +/- 5.22   0.095% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  33.94 +/- 5.01   0.068% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  35.46 +/- 5.86   0.064% *  0.0461% (0.49   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 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  98.631% * 99.6638% (1.00  10.0 10.00   2.85  42.50) =  99.999%  kept
          HB3   PHE   45 - HB2   ASP-  86  11.55 +/- 2.17   0.448% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  13.60 +/- 4.96   0.494% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  23.47 +/- 8.77   0.092% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  19.55 +/- 3.56   0.104% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  23.23 +/- 3.13   0.053% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  17.18 +/- 3.48   0.143% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  28.48 +/- 6.46   0.035% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 2.31, residual support = 42.3:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.80 +/- 0.20  85.496% * 94.7258% (1.00  10.0 10.00   2.31  42.50) =  99.390%  kept
          HA    SER   85 - HB3   ASP-  86   5.89 +/- 0.38  10.185% *  4.8665% (0.38   1.0  1.00   2.74  13.44) =   0.608%  kept
          HB    THR   77 - HB3   ASP-  86  10.79 +/- 2.04   2.099% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   ASP-  86  14.73 +/- 2.45   0.794% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  20.11 +/- 5.17   0.372% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  16.91 +/- 5.73   0.860% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  30.75 +/- 5.10   0.080% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  34.07 +/- 4.75   0.059% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  35.54 +/- 5.62   0.056% *  0.0461% (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 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  99.003% * 99.6568% (1.00  10.0 10.00   2.85  42.50) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  20.07 +/- 9.48   0.223% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  12.99 +/- 2.63   0.563% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  21.79 +/- 3.76   0.070% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  22.67 +/- 6.06   0.078% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  25.39 +/- 7.59   0.064% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.30 +/- 0.07  99.837% * 99.9010% (1.00  10.0 10.00   4.31  74.43) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  20.96 +/- 3.42   0.163% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.97 +/- 0.04  99.390% * 99.8563% (1.00  10.0 10.00   4.31  74.43) = 100.000%  kept
          HG3   GLN  116 - HA    TRP   87  24.16 +/- 3.45   0.322% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    TRP   87  25.13 +/- 7.68   0.289% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.30 +/- 0.07  99.489% * 99.8808% (1.00  10.0 10.00   4.31  74.43) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  18.50 +/- 5.07   0.320% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  20.88 +/- 2.50   0.148% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  31.75 +/- 4.56   0.043% *  0.0135% (0.14   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 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.4:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.837% * 99.8563% (1.00  10.0 10.00   4.00  74.43) = 100.000%  kept
          HG3   GLN  116 - HB2   TRP   87  22.16 +/- 3.49   0.102% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   TRP   87  24.73 +/- 7.05   0.061% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.97 +/- 0.04  98.979% * 99.3033% (1.00  10.0 10.00   4.31  74.43) =  99.998%  kept
        T HA    PHE   59 - HB3   TRP   87  20.27 +/- 2.23   0.343% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  104 - HB3   TRP   87  18.98 +/- 4.41   0.577% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  31.00 +/- 4.34   0.101% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.4:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00  99.883% * 99.9010% (1.00  10.0 10.00   4.00  74.43) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  18.22 +/- 3.45   0.117% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.34, residual support = 12.1:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  96.284% * 99.6403% (1.00  10.0 10.00   2.34  12.12) =  99.998%  kept
          QG2   THR   77 - HA    ALA   88   8.86 +/- 1.93   2.535% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ALA   88  11.00 +/- 0.94   0.750% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  20.46 +/- 2.84   0.131% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  24.18 +/- 6.88   0.120% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  27.41 +/- 4.24   0.059% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  31.66 +/- 3.96   0.034% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  22.96 +/- 2.71   0.088% *  0.0175% (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 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.34, residual support = 12.1:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  90.283% * 97.3461% (1.00  10.0 10.00   2.34  12.12) =  99.983%  kept
        T HB2   SER   82 - QB    ALA   88   9.91 +/- 0.56   0.940% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.006%
        T HA    SER   48 - QB    ALA   88  14.36 +/- 2.84   0.500% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   PRO   52 - QB    ALA   88  14.57 +/- 2.41   0.369% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          QB    SER   85 - QB    ALA   88   5.02 +/- 0.35   7.377% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QB    ALA   88  23.80 +/- 5.52   0.101% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  23.42 +/- 5.58   0.105% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  21.33 +/- 3.44   0.131% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  23.79 +/- 5.17   0.084% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  25.75 +/- 4.55   0.067% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  28.84 +/- 4.88   0.044% *  0.0271% (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 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 217.0:
    * O T HB    ILE   89 - HA    ILE   89   2.78 +/- 0.27  94.785% * 99.6008% (0.80  10.0 10.00   5.44 217.01) =  99.995%  kept
        T HB    VAL   43 - HA    ILE   89  13.67 +/- 2.98   1.227% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+  81 - HA    ILE   89  10.35 +/- 1.78   2.790% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  15.03 +/- 2.20   0.807% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  24.17 +/- 3.19   0.188% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  23.74 +/- 3.22   0.202% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 217.0:
    * O T QG2   ILE   89 - HA    ILE   89   2.61 +/- 0.29  96.231% * 99.9320% (1.00  10.0 10.00   6.45 217.01) =  99.998%  kept
          QG1   VAL   83 - HA    ILE   89   8.58 +/- 1.07   3.489% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    ILE   89  19.32 +/- 2.17   0.280% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 217.0:
    * O T HG12  ILE   89 - HA    ILE   89   2.98 +/- 0.61  96.681% * 99.3078% (1.00  10.0 10.00   5.88 217.01) =  99.997%  kept
          HG3   LYS+ 111 - HA    ILE   89  16.50 +/- 3.39   1.015% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   89  25.71 +/- 3.40   0.202% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   89  17.46 +/- 2.45   0.678% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  17.15 +/- 3.08   0.701% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  25.19 +/- 3.33   0.252% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  24.44 +/- 3.19   0.261% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  26.14 +/- 4.13   0.211% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 217.0:
    * O T HA    ILE   89 - HB    ILE   89   2.78 +/- 0.27  89.793% * 99.2091% (0.80  10.0 10.00   5.44 217.01) =  99.994%  kept
        T HA    ILE   89 - HB    VAL   43  13.67 +/- 2.98   1.162% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HB    ILE   89  11.18 +/- 1.12   1.782% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HB    ILE   89  18.53 +/- 2.69   0.421% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.28 +/- 1.91   1.279% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  14.34 +/- 3.71   1.074% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.76 +/- 0.78   0.816% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  24.92 +/- 3.22   0.166% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  14.65 +/- 3.42   0.941% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  27.87 +/- 3.76   0.122% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.77 +/- 1.50   0.491% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  29.41 +/- 3.50   0.099% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.85 +/- 2.37   0.282% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  24.16 +/- 4.88   0.226% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  13.98 +/- 2.74   0.971% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  17.96 +/- 1.57   0.377% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.8, support = 5.91, residual support = 216.7:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.01  79.041% * 98.8811% (0.80  10.0 10.00   5.92 217.01) =  99.873%  kept
        T QD1   LEU  104 - HB    VAL   43   9.71 +/- 2.62  13.739% *  0.6870% (0.03   1.0 10.00   0.41   0.02) =   0.121%  kept
        T QG2   ILE   89 - HB    VAL   43   9.47 +/- 2.63   1.385% *  0.2159% (0.17   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB    ILE   89   7.04 +/- 1.38   2.957% *  0.0520% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB    VAL   43   8.54 +/- 2.96   2.730% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  18.09 +/- 2.40   0.147% *  0.1526% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.2, residual support = 217.0:
    * O T HG12  ILE   89 - HB    ILE   89   2.65 +/- 0.25  87.601% * 98.9436% (0.80  10.0 10.00   5.20 217.01) =  99.993%  kept
        T HG12  ILE   89 - HB    VAL   43  12.37 +/- 2.69   1.129% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HB    VAL   43  13.62 +/- 1.55   0.882% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    ILE   89  24.04 +/- 3.51   0.168% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB    ILE   89  16.64 +/- 3.11   0.524% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB    VAL   43  12.69 +/- 3.09   2.601% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  16.02 +/- 2.90   0.502% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.70 +/- 1.00   2.247% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  16.97 +/- 3.28   0.487% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  12.15 +/- 2.48   1.662% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.21 +/- 2.00   0.436% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  23.46 +/- 3.15   0.147% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  22.74 +/- 3.10   0.161% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  14.79 +/- 3.71   0.764% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  16.25 +/- 2.87   0.544% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  24.78 +/- 4.77   0.146% *  0.0247% (0.20   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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 217.0:
    * O T HA    ILE   89 - QG2   ILE   89   2.61 +/- 0.29  93.692% * 99.5272% (1.00  10.0 10.00   6.45 217.01) =  99.997%  kept
          HB3   SER   82 - QG2   ILE   89   9.48 +/- 0.52   2.273% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  14.69 +/- 2.19   0.707% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QG2   ILE   89  10.99 +/- 2.86   2.457% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QG2   ILE   89  20.38 +/- 2.63   0.237% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  22.85 +/- 3.03   0.175% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  23.87 +/- 2.98   0.158% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  19.63 +/- 3.75   0.301% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 217.0:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.01  95.032% * 99.0138% (0.80  10.0 10.00   5.92 217.01) =  99.993%  kept
        T HB    VAL   43 - QG2   ILE   89   9.47 +/- 2.63   1.643% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LYS+  99 - QG2   ILE   89  18.58 +/- 2.66   0.166% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   8.42 +/- 1.44   2.083% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  18.17 +/- 2.68   0.180% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  11.08 +/- 2.25   0.896% *  0.0344% (0.28   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 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 = 6.39, residual support = 217.0:
    * O T HG12  ILE   89 - QG2   ILE   89   2.94 +/- 0.32  92.881% * 99.3078% (1.00  10.0 10.00   6.39 217.01) =  99.995%  kept
        T HG3   LYS+  99 - QG2   ILE   89  19.75 +/- 2.90   0.398% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QG2   ILE   89  13.18 +/- 2.90   1.402% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   89  12.51 +/- 2.54   2.035% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QG2   ILE   89  13.30 +/- 2.96   1.696% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QG2   ILE   89  18.95 +/- 2.99   0.559% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  18.34 +/- 2.87   0.597% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  19.92 +/- 3.71   0.432% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 216.9:
    * O T HA    ILE   89 - HG12  ILE   89   2.98 +/- 0.61  70.379% * 98.5945% (1.00  10.0 10.00   5.88 217.01) =  99.960%  kept
        T HB    THR   39 - HG3   LYS+  99   8.79 +/- 2.84   4.854% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.027%
          HB3   SER   37 - HG3   LYS+  99  10.47 +/- 3.46  13.051% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.008%
          HB3   SER   82 - HG12  ILE   89  12.10 +/- 1.84   2.374% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE   89 - HG3   LYS+  99  25.71 +/- 3.40   0.147% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG12  ILE   89  18.19 +/- 3.10   0.554% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HG3   LYS+  99  13.62 +/- 3.56   5.207% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  14.52 +/- 3.40   1.364% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  15.74 +/- 3.64   0.764% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  20.19 +/- 4.08   0.441% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  25.22 +/- 2.74   0.144% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  28.19 +/- 3.25   0.105% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  29.81 +/- 3.17   0.101% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  25.41 +/- 5.38   0.214% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  24.60 +/- 4.26   0.201% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  28.84 +/- 2.87   0.100% *  0.0079% (0.08   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.648, support = 5.26, residual support = 207.2:
    * O T HB    ILE   89 - HG12  ILE   89   2.65 +/- 0.25  31.709% * 78.0851% (0.80  10.0 10.00   5.20 217.01) =  77.308%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.56 +/- 0.33  36.714% * 14.8429% (0.15  10.0  1.00   5.16 173.61) =  17.014%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.75 +/- 0.24  29.775% *  6.1021% (0.06  10.0 10.00   6.40 173.61) =   5.673%  kept
        T HB    VAL   43 - HG12  ILE   89  12.37 +/- 2.69   0.400% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HB    VAL   43 - HG3   LYS+  99  13.62 +/- 1.55   0.277% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  24.04 +/- 3.51   0.052% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   ILE   56 - HG3   LYS+  99  17.88 +/- 2.86   0.141% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  22.28 +/- 3.24   0.062% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.96 +/- 1.49   0.532% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.41 +/- 2.56   0.239% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  22.72 +/- 3.20   0.058% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.17 +/- 3.11   0.041% *  0.0069% (0.07   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 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.37, residual support = 216.4:
    * O T QG2   ILE   89 - HG12  ILE   89   2.94 +/- 0.32  58.217% * 98.9377% (1.00  10.0 10.00   6.39 217.01) =  99.684%  kept
          QD1   LEU  104 - HG3   LYS+  99   4.65 +/- 2.44  30.806% *  0.5726% (0.06   1.0  1.00   1.85  17.77) =   0.305%  kept
          QG1   VAL   83 - HG12  ILE   89   7.72 +/- 1.92   9.833% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   ILE   89 - HG3   LYS+  99  19.75 +/- 2.90   0.246% *  0.4012% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HG3   LYS+  99  17.78 +/- 4.54   0.607% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  18.06 +/- 2.37   0.290% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 94.7:
    * O T HB2   GLN   90 - HA    GLN   90   2.61 +/- 0.26  98.392% * 98.5005% (0.78  10.0 10.00   3.96  94.70) =  99.985%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.10 +/- 1.86   1.217% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.015%
          HB3   GLU-  29 - HA    GLN   90  27.48 +/- 4.48   0.112% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  28.48 +/- 2.58   0.089% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  26.84 +/- 4.86   0.125% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  31.71 +/- 2.28   0.065% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 94.7:
    * O T HB3   GLN   90 - HA    GLN   90   2.85 +/- 0.24  84.020% * 99.0333% (0.82  10.0 10.00   3.96  94.70) =  99.984%  kept
          QB    LYS+  81 - HA    GLN   90   7.51 +/- 1.56   6.647% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.008%
          HB2   MET   92 - HA    GLN   90   7.16 +/- 0.84   6.133% *  0.0577% (0.48   1.0  1.00   0.02   0.22) =   0.004%
          QB    LYS+ 106 - HA    GLN   90  15.79 +/- 1.85   0.609% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   90  17.46 +/- 2.74   0.495% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    GLN   90  17.26 +/- 3.22   0.723% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    GLN   90  20.77 +/- 3.16   0.298% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  23.17 +/- 3.98   0.218% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  22.07 +/- 1.85   0.204% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  27.01 +/- 4.55   0.235% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  25.51 +/- 3.15   0.145% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  23.02 +/- 2.76   0.203% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  30.90 +/- 2.32   0.073% *  0.0990% (0.82   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.58, residual support = 94.7:
    * O T QG    GLN   90 - HA    GLN   90   2.53 +/- 0.41  94.005% * 99.3855% (0.88  10.0 10.00   3.58  94.70) =  99.998%  kept
          HG3   MET   92 - HA    GLN   90   7.93 +/- 1.14   4.673% *  0.0171% (0.15   1.0  1.00   0.02   0.22) =   0.001%
          HB2   ASP-  44 - HA    GLN   90  14.99 +/- 1.54   0.554% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLN   90  20.86 +/- 1.43   0.204% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  27.44 +/- 3.53   0.108% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  22.00 +/- 2.27   0.180% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  28.52 +/- 3.70   0.087% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  33.25 +/- 3.20   0.058% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  26.25 +/- 4.68   0.132% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 94.7:
    * O T HA    GLN   90 - HB2   GLN   90   2.61 +/- 0.26  95.653% * 98.8405% (0.78  10.0 10.00   3.96  94.70) =  99.989%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.10 +/- 1.86   1.183% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA  110 - HB2   GLN   90  15.95 +/- 2.70   0.666% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  19.21 +/- 3.82   0.445% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  15.25 +/- 2.22   0.751% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.79 +/- 2.98   0.255% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.20 +/- 2.57   0.224% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  20.53 +/- 1.55   0.235% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  19.03 +/- 1.82   0.311% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.43 +/- 2.34   0.277% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 94.7:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  93.728% * 96.7995% (0.67  10.0 10.00   3.98  94.70) =  99.993%  kept
        T HB3   GLN   90 - HB3   GLU-  79  14.17 +/- 2.13   0.218% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HB3   GLU-  79   7.24 +/- 0.74   1.474% *  0.0752% (0.52   1.0  1.00   0.02   1.32) =   0.001%
          QB    LYS+  81 - HB2   GLN   90   8.99 +/- 1.80   0.956% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB2   GLN   90   7.49 +/- 1.47   1.649% *  0.0564% (0.39   1.0  1.00   0.02   0.22) =   0.001%
          QB    LYS+ 106 - HB3   GLU-  79  17.08 +/- 2.83   0.203% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  32.87 +/- 2.33   0.015% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  16.02 +/- 5.30   0.239% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  16.86 +/- 1.91   0.121% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  18.14 +/- 3.16   0.111% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  17.64 +/- 3.44   0.143% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  14.86 +/- 2.45   0.195% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  18.90 +/- 4.15   0.105% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.32 +/- 2.94   0.083% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.69 +/- 2.88   0.119% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  19.68 +/- 3.46   0.120% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  21.46 +/- 3.23   0.092% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  21.28 +/- 3.30   0.073% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  22.38 +/- 3.30   0.057% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  23.48 +/- 2.10   0.043% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  25.21 +/- 3.73   0.038% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  25.04 +/- 2.98   0.041% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  28.61 +/- 4.54   0.045% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  27.33 +/- 2.99   0.028% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  23.86 +/- 3.20   0.047% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  22.35 +/- 3.59   0.058% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.91, residual support = 94.7:
    * O T QG    GLN   90 - HB2   GLN   90   2.37 +/- 0.12  92.180% * 96.7466% (0.72  10.0 10.00   3.91  94.70) =  99.988%  kept
        T QG    GLN   90 - HB3   GLU-  79  11.85 +/- 1.87   0.910% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.007%
        T QB    MET   11 - HB3   GLU-  79  25.24 +/- 5.85   0.133% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  12.00 +/- 1.52   0.853% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HB3   GLU-  79  18.48 +/- 6.44   0.374% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   GLN   90   8.20 +/- 1.52   3.216% *  0.0166% (0.12   1.0  1.00   0.02   0.22) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  16.64 +/- 1.46   0.293% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.40 +/- 1.58   0.380% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  34.86 +/- 3.29   0.033% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  19.92 +/- 6.06   0.271% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  28.29 +/- 4.39   0.070% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  21.95 +/- 5.20   0.163% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  23.01 +/- 2.75   0.191% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  22.72 +/- 1.28   0.110% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  15.05 +/- 2.61   0.562% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  21.56 +/- 2.57   0.149% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  29.02 +/- 3.45   0.060% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  30.06 +/- 3.79   0.053% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 94.7:
    * O T HA    GLN   90 - HB3   GLN   90   2.85 +/- 0.24  98.082% * 99.7400% (0.82  10.0 10.00   3.96  94.70) =  99.999%  kept
          HA    ALA  110 - HB3   GLN   90  15.70 +/- 2.66   0.749% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLN   90  18.88 +/- 3.61   0.477% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  20.36 +/- 1.41   0.299% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  18.81 +/- 1.58   0.393% *  0.0157% (0.13   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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 94.7:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.681% * 98.2851% (0.67  10.0 10.00   3.98  94.70) =  99.997%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.17 +/- 2.13   0.231% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  38 - HB3   GLN   90  33.59 +/- 2.09   0.015% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  29.50 +/- 4.10   0.025% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  30.22 +/- 2.25   0.021% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  28.84 +/- 4.47   0.027% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.91, residual support = 94.7:
    * O T QG    GLN   90 - HB3   GLN   90   2.40 +/- 0.13  95.349% * 99.3855% (0.75  10.0 10.00   3.91  94.70) =  99.999%  kept
          HG3   MET   92 - HB3   GLN   90   7.93 +/- 1.54   3.834% *  0.0171% (0.13   1.0  1.00   0.02   0.22) =   0.001%
          HB2   ASP-  44 - HB3   GLN   90  16.40 +/- 1.35   0.324% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  22.53 +/- 1.30   0.121% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  22.74 +/- 2.75   0.150% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  28.98 +/- 3.50   0.063% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  29.98 +/- 3.77   0.055% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  34.83 +/- 3.39   0.035% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  28.27 +/- 4.28   0.070% *  0.0247% (0.19   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.58, residual support = 94.7:
    * O T HA    GLN   90 - QG    GLN   90   2.53 +/- 0.41  97.459% * 99.7400% (0.88  10.0 10.00   3.58  94.70) =  99.998%  kept
          HA    ALA  110 - QG    GLN   90  14.94 +/- 2.81   1.039% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QG    GLN   90  17.48 +/- 3.20   0.699% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG    GLN   90  18.17 +/- 1.43   0.339% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  17.35 +/- 1.68   0.464% *  0.0157% (0.14   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.91, residual support = 94.7:
    * O T HB2   GLN   90 - QG    GLN   90   2.37 +/- 0.12  98.681% * 97.8434% (0.72  10.0 10.00   3.91  94.70) =  99.987%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.85 +/- 1.87   0.974% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   GLU-  29 - QG    GLN   90  25.16 +/- 4.40   0.112% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QG    GLN   90  25.78 +/- 3.98   0.099% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  26.56 +/- 2.24   0.079% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  29.62 +/- 2.15   0.055% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.746, support = 3.87, residual support = 93.7:
    * O T HB3   GLN   90 - QG    GLN   90   2.40 +/- 0.13  86.901% * 83.5662% (0.75  10.0 10.00   3.91  94.70) =  98.902%  kept
        T HB2   MET   92 - QG    GLN   90   7.42 +/- 1.46   5.006% * 13.5240% (0.44   1.0 10.00   0.56   0.22) =   0.922%  kept
          QB    LYS+  81 - QG    GLN   90   7.25 +/- 1.92   5.720% *  2.2325% (0.80   1.0  1.00   0.50   0.02) =   0.174%  kept
          QB    LYS+ 106 - QG    GLN   90  15.22 +/- 1.86   0.407% *  0.0924% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QG    GLN   90  15.89 +/- 3.05   0.585% *  0.0607% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  16.51 +/- 2.67   0.342% *  0.0946% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  25.24 +/- 4.52   0.245% *  0.0526% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  19.82 +/- 2.91   0.198% *  0.0566% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  21.98 +/- 3.51   0.142% *  0.0647% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  21.02 +/- 1.64   0.140% *  0.0647% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  23.92 +/- 2.78   0.101% *  0.0765% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  21.45 +/- 2.92   0.160% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  28.91 +/- 2.21   0.053% *  0.0836% (0.75   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 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.24, residual support = 14.4:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  97.643% * 98.3255% (1.00  10.0 10.00   2.24  14.40) =  99.997%  kept
        T QG2   THR   39 - HA    ALA   91  21.94 +/- 1.54   0.095% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  10.88 +/- 2.39   1.239% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ALA   91  18.52 +/- 3.69   0.221% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ALA   91  14.67 +/- 2.65   0.418% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.01 +/- 3.74   0.085% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.32 +/- 1.84   0.123% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.70 +/- 2.46   0.081% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  25.77 +/- 1.67   0.059% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.18 +/- 2.15   0.036% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.24, residual support = 14.4:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  89.014% * 99.0540% (1.00  10.0 10.00   2.24  14.40) =  99.996%  kept
          HA    PRO   52 - QB    ALA   91   9.93 +/- 3.18   2.187% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   39  10.55 +/- 2.44   1.162% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - QB    ALA   91  13.73 +/- 1.85   0.455% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  21.94 +/- 1.54   0.087% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.52 +/- 0.84   3.754% *  0.0096% (0.10   1.0  1.00   0.02   1.30) =   0.000%
          HA    ALA  110 - QB    ALA   91  11.05 +/- 3.19   1.189% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  18.52 +/- 3.69   0.201% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  18.20 +/- 3.09   0.181% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.59 +/- 2.00   0.245% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.74 +/- 4.11   0.658% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.38 +/- 1.99   0.073% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  22.64 +/- 4.37   0.506% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  21.12 +/- 2.50   0.111% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  21.49 +/- 3.46   0.178% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.2:
    * O T HA    PRO   93 - HD2   PRO   93   3.94 +/- 0.07 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.19) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.1:
    * O T HB2   PRO   93 - HD2   PRO   93   3.96 +/- 0.16  54.175% * 99.2584% (0.73  10.0 10.00   5.40 132.19) =  99.960%  kept
          HG3   PRO   52 - HD2   PRO   93   7.84 +/- 4.04  27.430% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.016%
          HB2   ARG+  54 - HD2   PRO   93  11.25 +/- 2.90   4.903% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.008%
          HB    ILE  119 - HD2   PRO   93  15.52 +/- 2.93   6.285% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.007%
          HB    VAL  108 - HD2   PRO   93  10.66 +/- 2.64   4.419% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.007%
        T HG3   GLN   30 - HD2   PRO   93  23.49 +/- 2.61   0.298% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   58 - HD2   PRO   93  13.68 +/- 2.63   1.756% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  22.45 +/- 1.93   0.320% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.63 +/- 1.02   0.186% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  29.24 +/- 3.11   0.151% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  36.29 +/- 2.96   0.078% *  0.0408% (0.30   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 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.0:
    * O T HG2   PRO   93 - HD2   PRO   93   2.45 +/- 0.26  83.359% * 98.6919% (0.73  10.0 10.00   4.00 132.19) =  99.886%  kept
          HB3   PRO   52 - HD2   PRO   93   7.56 +/- 3.98  11.617% *  0.7816% (0.22   1.0  1.00   0.51   0.02) =   0.110%  kept
          QB    LYS+  65 - HD2   PRO   93  14.95 +/- 3.42   1.429% *  0.0824% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD2   PRO   93  16.87 +/- 3.43   1.048% *  0.0885% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HD2   PRO   93  20.63 +/- 4.03   1.638% *  0.0305% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   93  18.68 +/- 0.99   0.219% *  0.0717% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.60 +/- 1.23   0.169% *  0.0911% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.73 +/- 1.42   0.260% *  0.0559% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.97 +/- 2.48   0.149% *  0.0790% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  25.31 +/- 4.16   0.111% *  0.0274% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 132.2:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  93.009% * 98.6805% (0.65  10.0 10.00   4.00 132.19) =  99.991%  kept
          HB3   CYS   53 - HD2   PRO   93   7.97 +/- 2.86   3.772% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.004%
          QB    PHE   55 - HD2   PRO   93   8.79 +/- 3.58   2.051% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HD2   PRO   93  20.94 +/- 3.44   0.121% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HD2   PRO   93  12.94 +/- 3.48   0.639% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD2   PRO   93  12.26 +/- 2.05   0.408% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.2:
    * O T HA    PRO   93 - HD3   PRO   93   3.83 +/- 0.07  96.710% * 99.8223% (0.90  10.0 10.00   5.31 132.19) =  99.994%  kept
        T HA    PRO   93 - HD3   PRO   68  18.09 +/- 3.43   3.290% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.006%
    Distance limit 4.17 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 = 0.891, support = 5.36, residual support = 130.9:
    * O T HB2   PRO   93 - HD3   PRO   93   3.73 +/- 0.26  46.852% * 95.9021% (0.90  10.0 10.00   5.40 132.19) =  99.053%  kept
          HG3   PRO   52 - HD3   PRO   93   7.18 +/- 3.95  26.526% *  1.4313% (0.28   1.0  1.00   0.97   0.02) =   0.837%  kept
        T HB2   ARG+  54 - HD3   PRO   93  10.71 +/- 2.80   4.227% *  0.8319% (0.78   1.0 10.00   0.02   0.02) =   0.078%
          HB    ILE  119 - HD3   PRO   93  15.84 +/- 3.13   8.383% *  0.0543% (0.51   1.0  1.00   0.02   0.02) =   0.010%
        T HB2   PRO   93 - HD3   PRO   68  17.89 +/- 3.44   1.732% *  0.1707% (0.16   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   ARG+  54 - HD3   PRO   68  19.18 +/- 5.14   1.482% *  0.1481% (0.14   1.0 10.00   0.02   0.02) =   0.005%
          HB    VAL  108 - HD3   PRO   93  11.57 +/- 2.04   2.176% *  0.0768% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   GLN   30 - HD3   PRO   93  23.53 +/- 2.60   0.214% *  0.2666% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   68  16.87 +/- 4.78   0.837% *  0.0641% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   PRO   68  16.36 +/- 2.83   1.022% *  0.0475% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  13.66 +/- 2.78   1.392% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   93  29.10 +/- 3.05   0.111% *  0.3599% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   93  36.18 +/- 2.78   0.057% *  0.3943% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  23.66 +/- 5.50   0.317% *  0.0702% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  14.35 +/- 4.11   1.631% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  22.55 +/- 1.90   0.231% *  0.0543% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  16.05 +/- 2.37   0.766% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.19 +/- 0.99   0.131% *  0.0467% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  21.73 +/- 3.86   0.345% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.86 +/- 2.07   0.754% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  19.52 +/- 4.11   0.462% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  22.81 +/- 3.60   0.352% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.878, support = 3.9, residual support = 128.2:
    * O T HG2   PRO   93 - HD3   PRO   93   2.76 +/- 0.26  45.390% * 91.7164% (0.90  10.0 10.00   4.00 132.19) =  97.003%  kept
        T HB3   PRO   52 - HD3   PRO   93   7.03 +/- 3.92  16.528% *  6.4480% (0.28   1.0 10.00   0.46   0.02) =   2.483%  kept
          QB    LYS+  66 - HD3   PRO   68   4.40 +/- 1.11  20.332% *  1.0603% (0.14   1.0  1.00   1.45   0.02) =   0.502%  kept
          QB    LYS+  66 - HD3   PRO   93  16.61 +/- 3.74   1.851% *  0.0823% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - HD3   PRO   93  14.69 +/- 3.49   1.401% *  0.0766% (0.75   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HD3   PRO   68  13.07 +/- 3.09   5.865% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   93 - HD3   PRO   68  19.54 +/- 3.32   0.261% *  0.1632% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   68   7.34 +/- 1.09   3.061% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD3   PRO   68  10.30 +/- 1.38   1.067% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  20.94 +/- 3.95   0.464% *  0.0283% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.05 +/- 1.10   0.142% *  0.0666% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.21 +/- 1.38   0.102% *  0.0847% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.37 +/- 1.71   0.161% *  0.0519% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.99 +/- 2.49   0.106% *  0.0734% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  14.50 +/- 6.27   1.336% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  13.05 +/- 6.02   1.307% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  22.10 +/- 3.35   0.117% *  0.0504% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  19.33 +/- 3.39   0.205% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.92 +/- 3.18   0.230% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  25.12 +/- 4.17   0.073% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.2:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  98.975% * 99.5607% (0.65  10.0 10.00   4.00 132.19) =  99.999%  kept
          HA    THR   77 - HD3   PRO   93  10.79 +/- 1.78   0.564% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HD3   PRO   68  20.94 +/- 3.44   0.129% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  20.76 +/- 2.14   0.065% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  17.96 +/- 3.40   0.170% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  19.24 +/- 2.58   0.095% *  0.0219% (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 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 = 132.2:
    * O T HB2   PRO   93 - HA    PRO   93   2.43 +/- 0.20  91.305% * 99.2584% (1.00  10.0 10.00   5.98 132.19) =  99.995%  kept
          HB    VAL  108 - HA    PRO   93  10.52 +/- 2.01   1.581% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - HA    PRO   93   9.13 +/- 2.81   3.508% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    PRO   93  11.37 +/- 1.63   1.090% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  20.22 +/- 2.55   0.209% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    PRO   93  14.42 +/- 2.10   0.984% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    PRO   93  12.87 +/- 2.10   0.861% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  19.21 +/- 1.84   0.223% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  23.92 +/- 1.01   0.105% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  26.17 +/- 2.84   0.089% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  33.22 +/- 2.89   0.044% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.31, residual support = 132.0:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  65.889% * 98.6920% (1.00  10.0 10.00   5.31 132.19) =  99.846%  kept
          HB3   PRO   52 - HA    PRO   93   8.99 +/- 2.52  10.446% *  0.7815% (0.31   1.0  1.00   0.51   0.02) =   0.125%  kept
          QB    LYS+  65 - HA    PRO   93  12.52 +/- 3.83  16.055% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.020%
          QB    LYS+  66 - HA    PRO   93  14.57 +/- 3.46   2.185% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HA    PRO   93  15.55 +/- 1.15   1.149% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    PRO   93  15.34 +/- 1.54   1.260% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  18.54 +/- 1.45   0.711% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    PRO   93  18.62 +/- 2.35   0.762% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  19.34 +/- 2.89   1.088% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    PRO   93  22.35 +/- 4.22   0.455% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.2:
    * O T HD2   PRO   93 - HA    PRO   93   3.94 +/- 0.07  83.525% * 99.7770% (0.73  10.0 10.00   5.31 132.19) =  99.976%  kept
          HA    THR   77 - HA    PRO   93   8.62 +/- 1.83  15.444% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.023%
          HB2   TRP   27 - HA    PRO   93  17.74 +/- 2.35   1.031% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.1:
    * O T HD3   PRO   93 - HA    PRO   93   3.83 +/- 0.07  64.085% * 98.6805% (0.90  10.0 10.00   5.31 132.19) =  99.914%  kept
        T HD3   PRO   68 - HA    PRO   93  18.09 +/- 3.43   2.202% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.033%
          HB3   CYS   53 - HA    PRO   93   7.06 +/- 1.91  18.839% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.032%
          QB    PHE   55 - HA    PRO   93   9.44 +/- 2.32   7.786% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.011%
          HD2   ARG+  54 - HA    PRO   93  12.90 +/- 2.21   3.513% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - HA    PRO   93  10.87 +/- 1.68   3.575% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.95 A violated in 0 structures by 0.01 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 = 0.993, support = 5.35, residual support = 130.9:
    * O T HG2   PRO   93 - HB2   PRO   93   2.78 +/- 0.28  59.698% * 92.1197% (1.00  10.0 10.00   5.40 132.19) =  99.040%  kept
        T HB3   PRO   52 - HB2   PRO   93   8.14 +/- 2.61   7.175% *  7.2586% (0.31   1.0 10.00   0.51   0.02) =   0.938%  kept
          QB    LYS+  65 - HB2   PRO   93  12.25 +/- 3.23   8.872% *  0.0769% (0.84   1.0  1.00   0.02   0.02) =   0.012%
          QB    LYS+  66 - HB2   PRO   93  14.14 +/- 3.39   3.975% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - HG3   GLN   30  10.35 +/- 3.31   8.628% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG3   GLN   30   9.72 +/- 3.11   5.508% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HG3   GLN   30  12.48 +/- 3.40   1.310% *  0.0200% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  16.42 +/- 1.53   0.326% *  0.0669% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  19.13 +/- 2.75   0.253% *  0.0738% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.61 +/- 1.35   0.305% *  0.0522% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.61 +/- 1.47   0.182% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  23.07 +/- 2.61   0.122% *  0.0718% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  14.50 +/- 3.31   1.313% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  18.48 +/- 2.91   0.264% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  22.34 +/- 4.37   0.156% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  15.93 +/- 2.66   0.467% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  15.26 +/- 2.44   0.437% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  14.98 +/- 2.59   0.471% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  22.11 +/- 4.33   0.445% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.88 +/- 3.53   0.092% *  0.0022% (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 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.2:
    * O T HD2   PRO   93 - HB2   PRO   93   3.96 +/- 0.16  72.140% * 99.6822% (0.73  10.0 10.00   5.40 132.19) =  99.983%  kept
          HA    THR   77 - HB2   PRO   93  10.47 +/- 1.81   7.778% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.013%
          HB2   TRP   27 - HG3   GLN   30   6.56 +/- 0.63  17.654% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  18.84 +/- 2.26   0.813% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HG3   GLN   30  23.49 +/- 2.61   0.402% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  17.79 +/- 4.45   1.212% *  0.0096% (0.07   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 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.38, residual support = 131.8:
    * O T HD3   PRO   93 - HB2   PRO   93   3.73 +/- 0.26  46.992% * 97.4649% (0.90  10.0 10.00   5.40 132.19) =  99.723%  kept
        T HD2   ARG+  54 - HB2   PRO   93  11.66 +/- 2.84   6.517% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.154%  kept
          HB3   CYS   53 - HB2   PRO   93   6.27 +/- 2.57  24.832% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.058%
        T HD3   PRO   68 - HB2   PRO   93  17.89 +/- 3.44   1.571% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.032%
          QB    PHE   55 - HB2   PRO   93   8.14 +/- 2.60  12.827% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.024%
          HB2   PHE   59 - HB2   PRO   93   9.75 +/- 1.89   3.902% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.005%
        T HD3   PRO   68 - HG3   GLN   30  16.36 +/- 2.83   0.881% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HG3   GLN   30  25.54 +/- 5.45   0.583% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  23.53 +/- 2.60   0.217% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.73 +/- 4.02   0.642% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  22.07 +/- 3.39   0.443% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  20.04 +/- 3.77   0.592% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.2:
    * O T HA    PRO   93 - HG2   PRO   93   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.19) = 100.000%  kept
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.39, residual support = 132.1:
    * O T HB2   PRO   93 - HG2   PRO   93   2.78 +/- 0.28  77.773% * 98.7141% (1.00  10.0 10.00   5.40 132.19) =  99.938%  kept
        T HG3   PRO   52 - HG2   PRO   93   8.07 +/- 3.17  11.757% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.047%
        T HG2   PRO   58 - HG2   PRO   93  11.70 +/- 2.65   1.724% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HG2   PRO   93  10.24 +/- 2.74   4.155% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL  108 - HG2   PRO   93  10.65 +/- 2.30   2.114% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HG2   PRO   93  13.69 +/- 2.61   1.905% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   PRO   93  23.07 +/- 2.61   0.160% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG2   PRO   93  22.06 +/- 2.02   0.179% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.18 +/- 1.20   0.102% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  28.37 +/- 3.49   0.089% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  35.60 +/- 3.15   0.042% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 132.2:
    * O T HD2   PRO   93 - HG2   PRO   93   2.45 +/- 0.26  98.641% * 99.7770% (0.73  10.0 10.00   4.00 132.19) =  99.998%  kept
          HA    THR   77 - HG2   PRO   93  11.93 +/- 1.64   1.154% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HG2   PRO   93  20.73 +/- 1.99   0.205% *  0.0998% (0.73   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 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 4.0, residual support = 132.1:
    * O T HD3   PRO   93 - HG2   PRO   93   2.76 +/- 0.26  66.207% * 98.6805% (0.90  10.0 10.00   4.00 132.19) =  99.944%  kept
          HB3   CYS   53 - HG2   PRO   93   7.16 +/- 2.60  13.708% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.023%
          QB    PHE   55 - HG2   PRO   93   7.48 +/- 3.44  14.110% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.019%
        T HD3   PRO   68 - HG2   PRO   93  19.54 +/- 3.32   0.420% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HG2   PRO   93  11.91 +/- 3.34   3.555% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - HG2   PRO   93  10.31 +/- 2.12   2.000% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.0:
    * O T HB    THR   94 - HA    THR   94   3.04 +/- 0.03  89.491% * 99.2375% (0.84  10.0 10.00   2.43  24.99) =  99.991%  kept
          HA    LYS+  65 - HA    THR   94  15.73 +/- 3.27   1.974% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HA    THR   94  13.39 +/- 1.31   1.287% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HA    THR   94  11.27 +/- 1.40   2.199% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    THR   94  14.96 +/- 1.61   0.855% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  16.56 +/- 1.73   0.642% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  14.78 +/- 1.92   0.918% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  16.71 +/- 1.94   0.590% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  11.94 +/- 1.89   1.794% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  24.62 +/- 4.93   0.250% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 25.0:
    * O T QG2   THR   94 - HA    THR   94   2.52 +/- 0.19  88.136% * 99.7175% (1.00  10.0 10.00   2.92  24.99) =  99.989%  kept
          HD2   LYS+ 112 - HA    THR   94  10.26 +/- 2.64   7.008% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LYS+ 112 - HA    THR   94  10.26 +/- 2.25   3.489% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - HA    THR   94  11.69 +/- 1.34   1.060% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  18.29 +/- 2.06   0.307% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.0:
    * O T HA    THR   94 - HB    THR   94   3.04 +/- 0.03  97.953% * 99.9751% (0.84  10.0 10.00   2.43  24.99) =  99.999%  kept
          HA    LYS+  74 - HB    THR   94  11.29 +/- 0.88   2.047% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.0:
    * O T QG2   THR   94 - HB    THR   94   2.17 +/- 0.01  96.452% * 99.7175% (0.84  10.0 10.00   2.43  24.99) =  99.997%  kept
          HD2   LYS+ 112 - HB    THR   94  12.52 +/- 2.84   1.419% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HB    THR   94  12.64 +/- 2.52   1.114% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    THR   94  11.10 +/- 1.27   0.817% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.78 +/- 1.80   0.199% *  0.0724% (0.61   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 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 25.0:
    * O T HA    THR   94 - QG2   THR   94   2.52 +/- 0.19  98.304% * 99.9751% (1.00  10.0 10.00   2.92  24.99) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.21 +/- 0.91   1.696% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.0:
    * O T HB    THR   94 - QG2   THR   94   2.17 +/- 0.01  94.268% * 99.2375% (0.84  10.0 10.00   2.43  24.99) =  99.995%  kept
          HA    LYS+  65 - QG2   THR   94  13.74 +/- 3.15   1.150% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QG2   THR   94  11.77 +/- 1.23   0.831% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QG2   THR   94  11.30 +/- 1.87   0.838% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  10.43 +/- 1.30   1.017% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QG2   THR   94  14.88 +/- 1.69   0.334% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.51 +/- 2.22   0.361% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  14.12 +/- 1.49   0.385% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.71 +/- 1.42   0.675% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  20.80 +/- 3.97   0.142% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   3.04 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.46) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.47 +/- 0.12  98.899% * 99.8670% (1.00  10.0 10.00   4.00  73.46) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  12.26 +/- 1.34   0.919% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  21.54 +/- 2.34   0.181% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   3.04 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.46) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.401% * 99.8670% (1.00  10.0 10.00   3.31  73.46) =  99.999%  kept
          HG2   GLN  116 - HB2   PHE   95  10.50 +/- 1.51   0.547% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HB2   PHE   95  23.41 +/- 2.60   0.052% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.47 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.46) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.46) = 100.000%  kept
    Distance limit 2.71 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   2.96 +/- 0.17  81.389% * 95.8384% (0.98  10.0 10.00   5.00 115.39) =  99.246%  kept
          HB2   ASP- 105 - HA    MET   96   5.77 +/- 0.76  15.382% *  3.8367% (0.40   1.0  1.00   1.95   0.02) =   0.751%  kept
          HB    VAL   70 - HA    MET   96  12.84 +/- 2.23   1.258% *  0.0732% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.80 +/- 0.83   0.681% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  15.17 +/- 1.53   0.664% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    MET   96  19.35 +/- 3.71   0.375% *  0.0658% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  21.16 +/- 2.63   0.251% *  0.0543% (0.55   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 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  98.210% * 99.7402% (0.98  10.0 10.00   5.00 115.39) =  99.999%  kept
          HB2   LEU   40 - HA    MET   96  11.91 +/- 0.94   1.221% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  23.92 +/- 2.90   0.156% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  18.85 +/- 2.53   0.343% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  30.83 +/- 3.02   0.071% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HA    MET   96   3.35 +/- 0.41  98.998% * 99.6261% (0.98  10.0 10.00   4.44 115.39) =  99.996%  kept
        T HB2   PRO   52 - HA    MET   96  17.00 +/- 2.72   1.002% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HA    MET   96   2.67 +/- 0.51  94.253% * 99.7437% (0.59  10.0 10.00   4.44 115.39) =  99.997%  kept
          HB3   TRP   87 - HA    MET   96  12.29 +/- 4.15   3.313% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    MET   96  14.36 +/- 3.71   1.445% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HA    MET   96  21.45 +/- 1.32   0.253% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  14.73 +/- 1.62   0.736% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB2   MET   96   2.96 +/- 0.17  96.065% * 99.9773% (0.98  10.0 10.00   5.00 115.39) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96   9.90 +/- 1.89   3.935% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.425% * 99.7402% (1.00  10.0 10.00   5.00 115.39) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.45 +/- 1.05   0.390% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  22.38 +/- 3.07   0.058% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  18.98 +/- 2.78   0.104% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  29.10 +/- 2.60   0.023% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HB2   MET   96   2.52 +/- 0.27  99.556% * 99.6261% (1.00  10.0 10.00   4.44 115.39) =  99.998%  kept
        T HB2   PRO   52 - HB2   MET   96  17.50 +/- 2.70   0.444% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB2   MET   96   2.80 +/- 0.24  92.196% * 99.7437% (0.61  10.0 10.00   4.44 115.39) =  99.997%  kept
          HB3   TRP   87 - HB2   MET   96  11.60 +/- 4.02   5.460% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HB2   MET   96  14.50 +/- 3.67   1.558% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB2   MET   96  20.19 +/- 1.62   0.279% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  16.53 +/- 1.46   0.506% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB3   MET   96   2.67 +/- 0.19  97.742% * 99.9773% (0.98  10.0 10.00   5.00 115.39) =  99.999%  kept
          HA    PHE   72 - HB3   MET   96  10.74 +/- 1.69   2.258% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 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  97.574% * 99.6213% (1.00  10.0 10.00   5.00 115.39) =  99.999%  kept
          HB2   ASP- 105 - HB3   MET   96   8.11 +/- 1.10   1.491% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HB3   MET   96  12.74 +/- 2.07   0.301% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.19 +/- 1.71   0.297% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.31 +/- 0.94   0.153% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  18.82 +/- 4.02   0.103% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  19.68 +/- 2.98   0.081% *  0.0564% (0.57   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 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   2.74 +/- 0.24  99.431% * 99.6261% (1.00  10.0 10.00   4.44 115.39) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  16.94 +/- 2.75   0.569% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB3   MET   96   2.82 +/- 0.21  89.321% * 99.7437% (0.61  10.0 10.00   4.44 115.39) =  99.995%  kept
          HB3   TRP   87 - HB3   MET   96  10.93 +/- 4.36   8.181% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HB3   MET   96  14.73 +/- 3.57   1.662% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB3   MET   96  21.09 +/- 1.59   0.233% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  16.35 +/- 1.54   0.603% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HA    MET   96 - HG2   MET   96   3.35 +/- 0.41  94.681% * 99.6779% (0.98  10.0 10.00   4.44 115.39) =  99.996%  kept
        T HA    MET   96 - HB2   PRO   52  17.00 +/- 2.72   0.959% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          HA    PHE   72 - HG2   MET   96  11.03 +/- 1.72   3.807% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   PRO   52  20.84 +/- 3.10   0.553% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 4.44, residual support = 115.3:
    * O T HB2   MET   96 - HG2   MET   96   2.52 +/- 0.27  90.190% * 96.9065% (1.00  10.0 10.00   4.44 115.39) =  99.879%  kept
          HB2   ASP- 105 - HG2   MET   96   7.92 +/- 1.06   4.296% *  2.3721% (0.41   1.0  1.00   1.19   0.02) =   0.116%  kept
        T HB2   MET   96 - HB2   PRO   52  17.50 +/- 2.70   0.401% *  0.2847% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  14.41 +/- 2.19   1.707% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   MET   96  13.16 +/- 1.86   0.773% *  0.0741% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.70 +/- 1.13   0.664% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG2   MET   96  19.29 +/- 4.06   0.346% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  19.45 +/- 3.46   0.266% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  16.63 +/- 3.66   0.563% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  20.61 +/- 2.11   0.209% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  23.26 +/- 4.23   0.176% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  19.23 +/- 2.29   0.253% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  28.35 +/- 3.65   0.090% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  29.92 +/- 3.09   0.067% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG2   MET   96   2.74 +/- 0.24  91.053% * 99.3732% (1.00  10.0 10.00   4.44 115.39) =  99.996%  kept
        T HB3   MET   96 - HB2   PRO   52  16.94 +/- 2.75   0.521% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   40 - HG2   MET   96  11.81 +/- 1.63   1.607% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.22 +/- 0.87   5.902% *  0.0073% (0.07   1.0  1.00   0.02   1.93) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.31 +/- 3.41   0.185% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.62 +/- 2.91   0.343% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  29.75 +/- 3.20   0.085% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  24.27 +/- 2.85   0.177% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  30.64 +/- 3.68   0.083% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  37.56 +/- 4.47   0.047% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  95.898% * 99.2819% (0.61  10.0 10.00   4.00 115.39) =  99.998%  kept
          HB3   TRP   87 - HG2   MET   96  12.04 +/- 4.56   1.632% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  62 - HB2   PRO   52  14.27 +/- 2.70   0.297% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  18.67 +/- 2.97   0.100% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  14.17 +/- 3.36   1.459% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  19.82 +/- 1.65   0.071% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.22 +/- 3.36   0.225% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  17.48 +/- 1.48   0.107% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  16.57 +/- 4.00   0.196% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  34.41 +/- 3.29   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   2.67 +/- 0.51  96.417% * 99.9773% (0.59  10.0 10.00   4.44 115.39) =  99.999%  kept
          HA    PHE   72 - HG3   MET   96  11.45 +/- 2.01   3.583% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 4.44, residual support = 115.2:
    * O T HB2   MET   96 - HG3   MET   96   2.80 +/- 0.24  89.532% * 97.6335% (0.61  10.0 10.00   4.44 115.39) =  99.833%  kept
          HB2   ASP- 105 - HG3   MET   96   7.21 +/- 0.97   7.074% *  2.0355% (0.25   1.0  1.00   1.01   0.02) =   0.164%  kept
          HB    VAL   70 - HG3   MET   96  13.31 +/- 1.95   0.994% *  0.0746% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.67 +/- 1.29   0.850% *  0.0709% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  14.92 +/- 2.12   0.934% *  0.0632% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG3   MET   96  19.50 +/- 3.86   0.330% *  0.0671% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  20.12 +/- 3.02   0.285% *  0.0553% (0.34   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 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   2.82 +/- 0.21  97.337% * 99.7402% (0.61  10.0 10.00   4.44 115.39) =  99.998%  kept
          HB2   LEU   40 - HG3   MET   96  11.74 +/- 1.49   2.016% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  14 - HG3   MET   96  23.63 +/- 3.44   0.229% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.39 +/- 2.65   0.321% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.13 +/- 3.50   0.097% *  0.0685% (0.42   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 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  99.895% * 99.6261% (0.61  10.0 10.00   4.00 115.39) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  18.67 +/- 2.97   0.105% *  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   2.80 +/- 0.21  83.163% * 99.7149% (1.00  10.0 10.00   2.89  62.23) =  99.988%  kept
          QE    LYS+ 106 - HA    PHE   97   7.69 +/- 1.28   8.294% *  0.0724% (0.73   1.0  1.00   0.02  11.34) =   0.007%
          QE    LYS+  99 - HA    PHE   97   7.42 +/- 0.85   5.086% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB3   TRP   27 - HA    PHE   97  13.54 +/- 2.00   1.018% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    PHE   97  12.63 +/- 2.51   1.482% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    PHE   97  13.54 +/- 1.82   0.956% *  0.0197% (0.20   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 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   2.87 +/- 0.19  94.616% * 99.7224% (0.95  10.0 10.00   3.44  62.23) =  99.996%  kept
          HB2   PRO   58 - HA    PHE   97  15.86 +/- 4.17   1.689% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU- 100 - HA    PHE   97  11.24 +/- 0.55   1.650% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  14.65 +/- 1.18   0.762% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    PHE   97  16.29 +/- 3.02   1.284% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.2:
    * O T HA    PHE   97 - HB2   PHE   97   2.80 +/- 0.21 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.23) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.2:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  98.691% * 99.7224% (0.95  10.0 10.00   3.31  62.23) =  99.999%  kept
          HB2   PRO   58 - HB2   PHE   97  16.07 +/- 4.79   0.540% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HB2   PHE   97  11.50 +/- 0.97   0.380% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  13.77 +/- 1.72   0.232% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  18.25 +/- 3.16   0.158% *  0.0185% (0.18   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 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   2.87 +/- 0.19 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.23) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 3.3, residual support = 62.0:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  89.785% * 95.5950% (0.95  10.0 10.00   3.31  62.23) =  99.605%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.55 +/- 1.38   8.088% *  4.2011% (0.69   1.0  1.00   1.21  11.34) =   0.394%  kept
          QE    LYS+  99 - HB3   PHE   97   7.73 +/- 1.32   1.430% *  0.0393% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB3   PHE   97  15.78 +/- 2.26   0.182% *  0.0954% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  13.67 +/- 2.71   0.297% *  0.0503% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.32 +/- 2.15   0.218% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 77.1:
    * O T QB    LEU   98 - HA    LEU   98   2.23 +/- 0.09  91.649% * 99.2568% (0.87  10.0 10.00   4.97  77.09) =  99.996%  kept
          HD3   LYS+ 121 - HA    LEU   98  13.11 +/- 6.61   1.222% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LEU   98   8.36 +/- 1.74   2.536% *  0.0226% (0.20   1.0  1.00   0.02   0.36) =   0.001%
          QB    ALA   61 - HA    LEU   98  14.57 +/- 4.04   1.463% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LEU   98  16.17 +/- 1.76   0.267% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  18.51 +/- 4.53   0.265% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  15.89 +/- 2.79   0.325% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.31 +/- 1.24   0.258% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  18.60 +/- 4.85   0.258% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  13.66 +/- 1.18   0.439% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  15.04 +/- 3.31   0.464% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  13.52 +/- 2.05   0.540% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.00 +/- 2.97   0.122% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.38 +/- 3.23   0.192% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.959, support = 4.87, residual support = 73.1:
    *   T QD1   LEU   98 - HA    LEU   98   3.17 +/- 0.58  50.841% * 93.6324% (1.00 10.00   4.90  77.09) =  94.031%  kept
          QD2   LEU  104 - HA    LEU   98   3.47 +/- 1.21  47.851% *  6.3139% (0.31  1.00   4.37  10.08) =   5.968%  kept
          QG2   ILE   19 - HA    LEU   98  13.97 +/- 1.80   0.704% *  0.0351% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.07 +/- 1.72   0.604% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.16, residual support = 75.1:
    *   T QD2   LEU   98 - HA    LEU   98   3.65 +/- 0.47  69.256% * 89.2554% (1.00 10.00   4.24  77.09) =  96.000%  kept
          QG2   VAL   41 - HA    LEU   98   6.07 +/- 1.47  26.102% *  9.8154% (0.95  1.00   2.33  26.53) =   3.979%  kept
        T QD1   LEU   80 - HA    LEU   98  16.36 +/- 4.02   1.406% *  0.8926% (1.00 10.00   0.02   0.02) =   0.019%
          QD2   LEU   63 - HA    LEU   98  11.74 +/- 2.74   3.236% *  0.0367% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 77.1:
    * O T HA    LEU   98 - QB    LEU   98   2.23 +/- 0.09 100.000% *100.0000% (0.87  10.0 10.00   4.97  77.09) = 100.000%  kept
    Distance limit 3.27 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 = 0.859, support = 3.92, residual support = 76.2:
    * O T QD1   LEU   98 - QB    LEU   98   2.13 +/- 0.14  78.032% * 94.6426% (0.87  10.0 10.00   3.93  77.09) =  98.658%  kept
          QD2   LEU  104 - QB    LEU   98   4.30 +/- 1.17  20.793% *  4.8149% (0.27   1.0  1.00   3.30  10.08) =   1.337%  kept
        T QG2   ILE   19 - QB    LEU   98  11.61 +/- 2.09   0.598% *  0.3552% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE   19 - QB    LEU   98  11.82 +/- 1.85   0.576% *  0.1873% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.856, support = 3.15, residual support = 65.3:
    * O T QD2   LEU   98 - QB    LEU   98   2.10 +/- 0.11  74.512% * 51.1151% (0.87  10.0 10.00   3.29  77.09) =  76.641%  kept
        T QG2   VAL   41 - QB    LEU   98   4.13 +/- 1.69  24.002% * 48.3528% (0.82   1.0 10.00   2.67  26.53) =  23.353%  kept
        T QD1   LEU   80 - QB    LEU   98  13.22 +/- 3.49   0.562% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - QB    LEU   98  10.44 +/- 2.42   0.924% *  0.0210% (0.36   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 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.9, residual support = 77.1:
    *   T HA    LEU   98 - QD1   LEU   98   3.17 +/- 0.58 100.000% *100.0000% (1.00 10.00   4.90  77.09) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 77.1:
    * O T QB    LEU   98 - QD1   LEU   98   2.13 +/- 0.14  87.950% * 98.1517% (0.87  10.0 10.00   3.93  77.09) =  99.986%  kept
        T HG    LEU   80 - QD1   LEU   98  13.71 +/- 4.37   0.684% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HG12  ILE   19 - QD1   LEU   98  12.98 +/- 3.09   0.541% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QD1   LEU   98  12.83 +/- 4.82   1.003% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  13.65 +/- 4.30   0.753% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   98   7.52 +/- 1.51   3.237% *  0.0224% (0.20   1.0  1.00   0.02   0.36) =   0.001%
          HB3   LYS+  74 - QD1   LEU   98  12.61 +/- 1.74   0.555% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   LEU   98  12.42 +/- 2.98   1.473% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   98  10.90 +/- 1.92   0.929% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  14.00 +/- 1.94   0.395% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  10.24 +/- 1.83   1.239% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  17.99 +/- 2.43   0.198% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  13.02 +/- 2.69   0.599% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  16.29 +/- 3.12   0.445% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.63, residual support = 76.7:
    * O T QD2   LEU   98 - QD1   LEU   98   2.02 +/- 0.07  85.659% * 94.2002% (1.00  10.0 10.00   2.64  77.09) =  99.255%  kept
          QG2   VAL   41 - QD1   LEU   98   4.73 +/- 1.54  12.415% *  4.8190% (0.95   1.0  1.00   1.08  26.53) =   0.736%  kept
        T QD1   LEU   80 - QD1   LEU   98  12.16 +/- 3.61   0.717% *  0.9420% (1.00   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   63 - QD1   LEU   98  10.49 +/- 2.49   1.209% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.48 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 = 4.24, residual support = 77.1:
    *   T HA    LEU   98 - QD2   LEU   98   3.65 +/- 0.47  98.035% * 99.4301% (1.00 10.00   4.24  77.09) =  99.989%  kept
        T HA    LEU   98 - QD1   LEU   80  16.36 +/- 4.02   1.965% *  0.5699% (0.57 10.00   0.02   0.02) =   0.011%
    Distance limit 4.58 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 = 3.87, residual support = 80.2:
    * O T QB    LEU   98 - QD2   LEU   98   2.10 +/- 0.11  36.411% * 50.3539% (0.87  10.0 10.00   3.29  77.09) =  61.297%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.10 +/- 0.02  36.086% * 16.1964% (0.28  10.0  1.00   4.57  85.08) =  19.540%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.89 +/- 0.46  17.832% * 32.1120% (0.55  10.0 10.00   5.03  85.08) =  19.145%  kept
        T HB2   LEU   80 - QD2   LEU   98  13.37 +/- 4.36   0.499% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.009%
        T QB    LEU   98 - QD1   LEU   80  13.22 +/- 3.49   0.255% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   LEU   80  10.71 +/- 3.02   0.741% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD2   LEU   98   6.80 +/- 1.79   1.787% *  0.0115% (0.20   1.0  1.00   0.02   0.36) =   0.001%
          HB3   LYS+  74 - QD2   LEU   98  11.69 +/- 2.19   0.300% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD2   LEU   98  13.07 +/- 4.59   0.279% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   98  12.07 +/- 3.51   0.354% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  13.37 +/- 4.50   0.359% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   9.50 +/- 2.28   1.006% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  12.01 +/- 2.97   0.420% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.27 +/- 2.07   0.481% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  10.96 +/- 4.01   1.090% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.69 +/- 2.84   0.382% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  16.51 +/- 6.83   0.205% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  14.25 +/- 1.47   0.132% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.13 +/- 2.53   0.090% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  15.63 +/- 3.16   0.173% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  13.49 +/- 2.75   0.239% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  15.42 +/- 3.18   0.161% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  19.88 +/- 5.05   0.069% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  17.45 +/- 6.32   0.157% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  22.68 +/- 3.98   0.037% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  14.68 +/- 3.54   0.176% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  16.36 +/- 3.45   0.157% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  16.06 +/- 3.10   0.124% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.993, support = 2.62, residual support = 76.4:
    * O T QD1   LEU   98 - QD2   LEU   98   2.02 +/- 0.07  86.442% * 89.8468% (1.00  10.0 10.00   2.64  77.09) =  98.993%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.43 +/- 1.08   8.347% *  9.3982% (0.31   1.0 10.00   0.68  10.08) =   1.000%  kept
        T QD1   LEU   98 - QD1   LEU   80  12.16 +/- 3.61   0.722% *  0.5150% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU  104 - QD1   LEU   80  15.20 +/- 4.11   0.520% *  0.1590% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD2   LEU   98  10.55 +/- 2.54   0.968% *  0.0337% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80  13.07 +/- 6.44   1.424% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.77 +/- 2.12   0.795% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  14.17 +/- 5.51   0.783% *  0.0102% (0.11   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 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.43, residual support = 173.4:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.10 +/- 0.57  71.414% * 98.4003% (1.00  10.0 10.00   6.44 173.61) =  99.860%  kept
          QG2   THR   39 - HA    LYS+  99   6.95 +/- 1.83  15.692% *  0.4179% (0.65   1.0  1.00   0.13   0.02) =   0.093%
        T HG3   LYS+  38 - HA    LYS+  99   8.75 +/- 1.72   7.465% *  0.3693% (0.38   1.0 10.00   0.02   0.02) =   0.039%
          HG    LEU   71 - HA    LYS+  99  11.24 +/- 3.12   2.441% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HG12  ILE   89 - HA    LYS+  99  22.12 +/- 3.31   0.261% *  0.4045% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    LYS+  99  15.45 +/- 3.14   1.060% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    LYS+  99  17.18 +/- 1.80   0.533% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  99  20.62 +/- 1.61   0.303% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.17 +/- 1.93   0.596% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.26 +/- 1.91   0.235% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.754, support = 5.88, residual support = 173.6:
    *   T QD    LYS+  99 - HA    LYS+  99   3.64 +/- 0.59  33.970% * 69.7607% (1.00   1.0 10.00   5.82 173.61) =  58.320%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.85 +/- 0.26  59.009% * 28.6795% (0.41  10.0 10.00   5.98 173.61) =  41.648%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.43 +/- 1.49   1.329% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.023%
        T QG1   ILE   56 - HA    LYS+  99  17.09 +/- 2.29   0.357% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  123 - HA    LYS+  99  17.70 +/- 5.19   0.398% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HA    LYS+  99   8.35 +/- 1.18   3.924% *  0.0155% (0.22   1.0  1.00   0.02   1.48) =   0.001%
          HB2   LEU   73 - HA    LYS+  99  14.57 +/- 2.06   0.634% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+  99  21.93 +/- 0.67   0.136% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.75 +/- 1.60   0.108% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.13 +/- 0.96   0.135% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 7.01, residual support = 171.8:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.66 +/- 0.35  66.416% * 95.0002% (1.00  10.0 10.00   7.06 173.61) =  98.825%  kept
          HG    LEU   98 - HA    LYS+  99   5.05 +/- 1.20  19.960% *  3.5971% (0.22   1.0  1.00   3.40  18.22) =   1.125%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.98 +/- 1.54   2.638% *  0.9312% (0.98   1.0 10.00   0.02   0.02) =   0.038%
          HB2   LEU   31 - HA    LYS+  99  10.68 +/- 3.45   8.127% *  0.0794% (0.84   1.0  1.00   0.02   0.02) =   0.010%
          HB2   LEU   63 - HA    LYS+  99  15.91 +/- 2.82   0.494% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  20.46 +/- 4.92   0.329% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.16 +/- 1.46   0.450% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  16.03 +/- 5.64   0.633% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  21.25 +/- 4.00   0.206% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  16.25 +/- 1.54   0.361% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.21 +/- 2.12   0.121% *  0.0852% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  19.50 +/- 3.07   0.264% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.33, residual support = 172.1:
    *   T QE    LYS+  99 - HA    LYS+  99   3.58 +/- 0.73  72.058% * 91.7789% (1.00 10.00   5.38 173.61) =  99.115%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.63 +/- 0.95   7.046% *  7.3191% (0.69 10.00   0.23   1.48) =   0.773%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.80 +/- 1.87   8.543% *  0.8231% (0.90 10.00   0.02   0.02) =   0.105%  kept
          HB2   PHE   97 - HA    LYS+  99   7.62 +/- 0.80   9.393% *  0.0377% (0.41  1.00   0.02   0.02) =   0.005%
          HB3   TRP   27 - HA    LYS+  99  14.66 +/- 3.05   2.960% *  0.0411% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 4.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.98, residual support = 173.0:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.67 +/- 0.24  77.168% * 97.9560% (1.00  10.0 10.00   7.00 173.61) =  99.630%  kept
          HA    LEU   40 - HB2   LYS+  99   5.28 +/- 1.49  17.057% *  1.6240% (0.25   1.0  1.00   1.33  10.27) =   0.365%  kept
          HA    ASN   35 - HB2   LYS+  99   9.48 +/- 1.61   2.839% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HB2   LYS+  99  16.15 +/- 6.24   0.714% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - HB2   LYS+  99  16.70 +/- 4.15   0.784% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  21.33 +/- 2.92   0.181% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  20.28 +/- 2.04   0.199% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  20.02 +/- 4.82   0.573% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.56 +/- 2.78   0.315% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.00 +/- 3.64   0.170% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.39, residual support = 173.5:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.75 +/- 0.24  86.428% * 97.8973% (1.00  10.0 10.00   6.40 173.61) =  99.911%  kept
          QG2   THR   39 - HB2   LYS+  99   8.09 +/- 1.60   6.315% *  0.9270% (0.65   1.0  1.00   0.29   0.02) =   0.069%
        T HG3   LYS+  38 - HB2   LYS+  99   9.44 +/- 1.80   3.515% *  0.3674% (0.38   1.0 10.00   0.02   0.02) =   0.015%
          HG    LEU   71 - HB2   LYS+  99  12.49 +/- 3.00   1.704% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - HB2   LYS+  99  22.28 +/- 3.24   0.200% *  0.4025% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  99  16.47 +/- 2.48   0.597% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  99  18.12 +/- 1.93   0.341% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  20.80 +/- 1.69   0.231% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  16.70 +/- 2.36   0.487% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.17 +/- 1.97   0.183% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.712, support = 5.21, residual support = 173.6:
    * O   QD    LYS+  99 - HB2   LYS+  99   2.41 +/- 0.30  29.301% * 70.6187% (1.00  10.0   4.75 173.61) =  51.153%  kept
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  68.056% * 29.0322% (0.41  10.0   5.70 173.61) =  48.844%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.73 +/- 1.75   0.580% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   8.33 +/- 1.68   1.566% *  0.0157% (0.22   1.0   0.02   1.48) =   0.001%
          HB2   LEU   73 - HB2   LYS+  99  15.75 +/- 2.39   0.122% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  16.53 +/- 2.79   0.127% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  16.42 +/- 5.32   0.140% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  21.74 +/- 0.97   0.036% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.57 +/- 1.52   0.034% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.86 +/- 1.59   0.037% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 7.01, residual support = 172.8:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.87 +/- 0.21  79.323% * 96.1378% (1.00  10.0   7.03 173.61) =  99.500%  kept
          HG    LEU   98 - HB2   LYS+  99   6.06 +/- 0.89  11.459% *  3.2908% (0.22   1.0   3.07  18.22) =   0.492%  kept
          HG2   LYS+  38 - HB2   LYS+  99   9.84 +/- 1.39   2.406% *  0.0942% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HB2   LYS+  99  11.99 +/- 2.91   2.753% *  0.0803% (0.84   1.0   0.02   0.02) =   0.003%
          HB2   LEU   63 - HB2   LYS+  99  15.78 +/- 2.70   0.760% *  0.0544% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  99  15.09 +/- 5.69   1.110% *  0.0297% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.54 +/- 1.53   0.613% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.58 +/- 4.59   0.334% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  21.38 +/- 3.78   0.259% *  0.0698% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  22.08 +/- 2.16   0.200% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  16.70 +/- 1.41   0.452% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  20.04 +/- 2.76   0.330% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.17, residual support = 173.5:
    *     QE    LYS+  99 - HB2   LYS+  99   3.00 +/- 0.71  71.027% * 99.0639% (1.00   5.17 173.61) =  99.913%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.55 +/- 1.08  11.997% *  0.1575% (0.41   0.02   0.02) =   0.027%
          QE    LYS+  38 - HB2   LYS+  99   9.25 +/- 1.84   4.864% *  0.3436% (0.90   0.02   0.02) =   0.024%
          QE    LYS+ 102 - HB2   LYS+  99   8.66 +/- 1.56   5.357% *  0.2632% (0.69   0.02   1.48) =   0.020%
          HB3   TRP   27 - HB2   LYS+  99  15.78 +/- 3.45   6.756% *  0.1718% (0.45   0.02   0.02) =   0.016%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 6.43, residual support = 173.3:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.10 +/- 0.57  43.905% * 97.6041% (1.00  10.0 10.00   6.44 173.61) =  99.822%  kept
          HA    LEU   40 - HG3   LYS+  99   5.45 +/- 2.40  18.150% *  0.3362% (0.25   1.0  1.00   0.28  10.27) =   0.142%  kept
          HA    ASN   35 - HG3   LYS+  99   8.53 +/- 2.03   5.777% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.013%
        T HA    LYS+  99 - HG3   LYS+  38   8.75 +/- 1.72   4.478% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.011%
          HA    ASN   35 - HG3   LYS+  38   5.18 +/- 1.32  17.096% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ILE   56 - HG3   LYS+  99  22.80 +/- 3.03   0.152% *  0.9233% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - HG12  ILE   89  22.12 +/- 3.31   0.165% *  0.3958% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HG3   LYS+  99  16.58 +/- 6.71   0.722% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG3   LYS+  99  21.81 +/- 2.12   0.194% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  17.59 +/- 2.89   0.377% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  17.96 +/- 4.17   0.529% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  19.71 +/- 3.37   0.346% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   7.96 +/- 0.95   3.688% *  0.0025% (0.03   1.0  1.00   0.02   0.59) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.24 +/- 2.92   0.093% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  20.02 +/- 6.82   0.873% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  21.09 +/- 4.97   0.510% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  26.95 +/- 4.03   0.192% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  18.28 +/- 3.33   0.328% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  27.09 +/- 3.69   0.090% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  19.49 +/- 2.15   0.257% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.53 +/- 4.35   0.176% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  22.42 +/- 2.93   0.153% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  20.90 +/- 2.59   0.232% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  27.27 +/- 2.85   0.096% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  16.03 +/- 4.05   0.576% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  21.88 +/- 3.10   0.208% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  19.58 +/- 5.31   0.324% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  29.74 +/- 4.33   0.074% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  24.59 +/- 4.16   0.190% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  33.28 +/- 3.40   0.049% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.917, support = 4.69, residual support = 177.7:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.77 +/- 0.48  40.786% * 89.0505% (1.00  10.0 10.00   4.72 173.61) =  90.873%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.67 +/- 0.49  43.264% *  8.3338% (0.09  10.0 10.00   4.40 221.00) =   9.021%  kept
        T QE    LYS+  38 - HG3   LYS+  99   8.00 +/- 1.84   2.860% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.057%
        T QE    LYS+ 102 - HG3   LYS+  99   9.80 +/- 1.66   1.924% *  0.6117% (0.69   1.0 10.00   0.02   1.48) =   0.029%
        T QE    LYS+  99 - HG3   LYS+  38   7.07 +/- 1.61   4.588% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+ 102 - HG3   LYS+  38  13.47 +/- 2.84   1.535% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HG3   LYS+  99  16.48 +/- 3.73   2.417% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HG3   LYS+  99   8.66 +/- 0.90   1.478% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG12  ILE   89  18.86 +/- 4.93   0.188% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG12  ILE   89  21.69 +/- 2.70   0.089% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG12  ILE   89  26.89 +/- 3.06   0.046% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  17.49 +/- 3.19   0.182% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  19.62 +/- 4.94   0.159% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  14.88 +/- 2.22   0.311% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.75 +/- 2.00   0.174% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.997, support = 5.8, residual support = 173.1:
    *   T HA    LYS+  99 - QD    LYS+  99   3.64 +/- 0.59  42.994% * 95.3381% (1.00 10.00   5.82 173.61) =  99.670%  kept
          HA    LEU   40 - QD    LYS+  99   4.93 +/- 1.65  23.484% *  0.3284% (0.25  1.00   0.28  10.27) =   0.188%  kept
        T HA    LYS+  99 - QD    LYS+ 106  11.43 +/- 1.49   2.040% *  0.7676% (0.81 10.00   0.02   0.02) =   0.038%
        T HA    LEU  123 - QD    LYS+  99  13.98 +/- 6.39   1.890% *  0.8270% (0.87 10.00   0.02   0.02) =   0.038%
          HA    ASN   35 - QD    LYS+  99   7.99 +/- 2.47  14.560% *  0.0920% (0.97  1.00   0.02   0.02) =   0.033%
        T HA    ILE   56 - QD    LYS+ 106  16.16 +/- 1.64   0.556% *  0.7261% (0.76 10.00   0.02   0.02) =   0.010%
        T HA    ILE   56 - QD    LYS+  99  19.89 +/- 2.95   0.382% *  0.9019% (0.95 10.00   0.02   0.02) =   0.008%
        T HA    LEU  123 - QD    LYS+ 106  18.13 +/- 3.96   0.483% *  0.6658% (0.70 10.00   0.02   0.02) =   0.008%
          HA    LEU   40 - QD    LYS+ 106  12.76 +/- 2.19   5.907% *  0.0191% (0.20  1.00   0.02   0.02) =   0.003%
          HA    ASN   35 - QD    LYS+ 106  16.85 +/- 2.81   0.784% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+ 106  14.70 +/- 1.53   0.722% *  0.0641% (0.67  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+  99  15.46 +/- 3.89   1.346% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  18.89 +/- 2.15   0.329% *  0.0796% (0.84  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QD    LYS+  99  18.32 +/- 4.69   1.646% *  0.0147% (0.15  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+ 106  14.86 +/- 2.79   0.834% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  16.09 +/- 2.99   0.669% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.99 +/- 3.95   0.460% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.62 +/- 2.56   0.476% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  22.17 +/- 4.43   0.302% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.30 +/- 3.63   0.138% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.83, residual support = 173.4:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.36 +/- 0.15  77.935% * 94.9913% (1.00  10.0  1.00   5.84 173.61) =  99.870%  kept
          HG    LEU   98 - QD    LYS+  99   7.39 +/- 0.91   3.193% *  2.5119% (0.22   1.0  1.00   2.38  18.22) =   0.108%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  13.50 +/- 2.34   0.697% *  0.6859% (0.72   1.0 10.00   0.02   0.02) =   0.006%
          HG2   LYS+  38 - QD    LYS+  99   7.68 +/- 1.91   4.330% *  0.0931% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   31 - QD    LYS+  99  11.54 +/- 2.93   2.014% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  99  20.90 +/- 2.28   0.133% *  0.8519% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD    LYS+ 106  12.85 +/- 1.73   0.757% *  0.0765% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD    LYS+ 106  12.65 +/- 3.40   0.918% *  0.0555% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   8.69 +/- 1.86   2.576% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  99  12.76 +/- 5.86   1.326% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  99  14.50 +/- 3.00   0.606% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  14.88 +/- 3.78   0.490% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.16 +/- 2.21   1.136% *  0.0261% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  15.93 +/- 4.09   0.508% *  0.0525% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.25 +/- 2.69   0.307% *  0.0750% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  12.31 +/- 1.34   0.655% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  15.24 +/- 3.08   0.461% *  0.0433% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.08 +/- 1.50   0.348% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.95 +/- 3.93   0.170% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  20.76 +/- 3.26   0.145% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  16.29 +/- 1.17   0.252% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  13.30 +/- 2.49   0.622% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  17.43 +/- 3.36   0.249% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  19.41 +/- 2.32   0.173% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.26, residual support = 173.5:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.34 +/- 0.14  74.231% * 94.6730% (1.00  10.0 10.00   5.26 173.61) =  99.921%  kept
        T HG3   LYS+  38 - QD    LYS+  99   7.26 +/- 2.09   8.535% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.043%
          QG2   THR   39 - QD    LYS+  99   6.85 +/- 1.77   9.432% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+  99 - QD    LYS+ 106  12.69 +/- 1.76   0.604% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T HG12  ILE   89 - QD    LYS+ 106  12.53 +/- 3.58   1.103% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  74 - QD    LYS+  99  17.14 +/- 1.94   0.221% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+ 106  16.53 +/- 1.78   0.241% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 111 - QD    LYS+ 106  13.27 +/- 2.08   0.530% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QD    LYS+  99  11.19 +/- 2.79   1.251% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   ILE   56 - QD    LYS+ 106  12.17 +/- 1.71   0.631% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - QD    LYS+ 106  18.05 +/- 3.00   0.297% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  15.79 +/- 2.36   0.331% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QD    LYS+  99  21.78 +/- 2.66   0.105% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  99  14.82 +/- 2.55   0.454% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  21.04 +/- 2.07   0.112% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD    LYS+ 106  13.07 +/- 2.36   0.686% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.89 +/- 2.90   0.341% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  13.75 +/- 1.99   0.494% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  18.81 +/- 3.44   0.271% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.99 +/- 1.36   0.130% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.41, residual support = 173.2:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  81.453% * 93.8192% (1.00  10.0 10.00   4.41 173.61) =  99.757%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.74 +/- 1.12   3.985% *  2.6288% (0.33   1.0  1.00   1.69  11.34) =   0.137%  kept
        T QE    LYS+  38 - QD    LYS+  99   7.05 +/- 2.14   5.510% *  0.8414% (0.90   1.0 10.00   0.02   0.02) =   0.061%
        T QE    LYS+  99 - QD    LYS+ 106  11.61 +/- 2.08   1.426% *  0.7554% (0.81   1.0 10.00   0.02   0.02) =   0.014%
        T QE    LYS+ 102 - QD    LYS+ 106   8.61 +/- 2.09   2.042% *  0.5189% (0.55   1.0 10.00   0.02   0.02) =   0.014%
        T QE    LYS+ 102 - QD    LYS+  99   9.31 +/- 1.64   1.604% *  0.6445% (0.69   1.0 10.00   0.02   1.48) =   0.013%
        T QE    LYS+  38 - QD    LYS+ 106  16.85 +/- 2.96   0.331% *  0.6774% (0.72   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PHE   97 - QD    LYS+  99   7.43 +/- 1.32   2.666% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  15.13 +/- 3.14   0.750% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.88 +/- 2.83   0.231% *  0.0339% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.981, support = 5.26, residual support = 168.8:
    *   T HA    LYS+  99 - QE    LYS+  99   3.58 +/- 0.73  28.559% * 89.5964% (1.00 10.00   5.38 173.61) =  97.087%  kept
          HA    LEU   40 - QE    LYS+  99   4.07 +/- 1.77  27.096% *  2.0714% (0.25  1.00   1.85  10.27) =   2.130%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.63 +/- 0.95   2.487% *  7.0938% (0.68 10.00   0.23   1.48) =   0.670%  kept
          HA    LEU   40 - QE    LYS+  38   7.93 +/- 1.48   3.843% *  0.2316% (0.07  1.00   0.77   0.59) =   0.034%
        T HA    LYS+  99 - QE    LYS+  38   8.80 +/- 1.87   2.766% *  0.2417% (0.27 10.00   0.02   0.02) =   0.025%
          HA    ASN   35 - QE    LYS+ 102  11.91 +/- 3.70   8.699% *  0.0590% (0.66  1.00   0.02   0.02) =   0.019%
          HA    ASN   35 - QE    LYS+  99   7.99 +/- 2.22   4.216% *  0.0865% (0.97  1.00   0.02   0.02) =   0.014%
          HA    ASN   35 - QE    LYS+  38   5.73 +/- 1.52  13.301% *  0.0233% (0.26  1.00   0.02   0.02) =   0.012%
          HA    LEU  123 - QE    LYS+  99  13.64 +/- 6.36   1.437% *  0.0777% (0.87  1.00   0.02   0.02) =   0.004%
          HA    LEU   40 - QE    LYS+ 102  11.11 +/- 1.57   1.251% *  0.0152% (0.17  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  18.79 +/- 2.39   0.247% *  0.0748% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - QE    LYS+  99  19.57 +/- 2.68   0.181% *  0.0848% (0.95  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+ 102  19.83 +/- 5.48   0.272% *  0.0530% (0.59  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QE    LYS+  99  15.03 +/- 3.70   0.580% *  0.0223% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  18.14 +/- 6.81   0.522% *  0.0210% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  21.28 +/- 1.81   0.164% *  0.0510% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  22.46 +/- 1.52   0.129% *  0.0578% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  15.47 +/- 3.27   0.525% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  17.86 +/- 4.33   0.430% *  0.0138% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  14.62 +/- 4.01   1.363% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  19.49 +/- 3.09   0.228% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  19.39 +/- 3.98   0.243% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  24.86 +/- 3.11   0.086% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  17.68 +/- 4.99   0.568% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  24.84 +/- 2.87   0.087% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.34 +/- 4.10   0.172% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  22.29 +/- 3.07   0.143% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  20.04 +/- 3.35   0.178% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  24.76 +/- 3.55   0.096% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  22.40 +/- 4.20   0.130% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.517, support = 4.57, residual support = 173.5:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  64.671% * 59.3867% (0.41  10.0 10.00   4.41 173.61) =  81.864%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.48 +/- 0.70  22.143% * 38.2979% (1.00   1.0  1.00   5.30 173.61) =  18.076%  kept
        T QD    LYS+  99 - QE    LYS+  38   7.05 +/- 2.14   4.300% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+ 106 - QE    LYS+  99  11.61 +/- 2.08   1.172% *  0.5422% (0.38   1.0 10.00   0.02   0.02) =   0.014%
        T QD    LYS+ 106 - QE    LYS+ 102   8.61 +/- 2.09   1.577% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  99 - QE    LYS+ 102   9.31 +/- 1.64   1.281% *  0.4050% (0.28   1.0 10.00   0.02   1.48) =   0.011%
          HB3   LYS+  99 - QE    LYS+ 102   8.53 +/- 1.48   2.120% *  0.0985% (0.68   1.0  1.00   0.02   1.48) =   0.004%
          HB3   LYS+  99 - QE    LYS+  38   9.37 +/- 1.95   1.120% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  38  16.85 +/- 2.96   0.271% *  0.1463% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+  99  15.33 +/- 2.64   0.245% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QE    LYS+ 102  18.95 +/- 5.11   0.194% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  17.82 +/- 1.33   0.112% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.53 +/- 2.03   0.238% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  21.49 +/- 2.76   0.068% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.29 +/- 2.66   0.208% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  20.12 +/- 2.96   0.096% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.05 +/- 2.04   0.148% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  26.52 +/- 3.29   0.036% *  0.0298% (0.21   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.909, support = 4.67, residual support = 177.0:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.77 +/- 0.48  36.261% * 83.6713% (1.00  10.0 10.00   4.72 173.61) =  89.613%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.67 +/- 0.49  38.614% *  8.4719% (0.10  10.0 10.00   4.40 221.00) =   9.662%  kept
          QG2   THR   39 - QE    LYS+  99   6.09 +/- 1.41   4.645% *  2.6420% (0.65   1.0  1.00   0.98   0.02) =   0.362%  kept
          QG2   THR   39 - QE    LYS+  38   6.36 +/- 1.14   3.497% *  2.5049% (0.17   1.0  1.00   3.43  30.37) =   0.259%  kept
        T HG3   LYS+  38 - QE    LYS+  99   7.07 +/- 1.61   4.094% *  0.3140% (0.38   1.0 10.00   0.02   0.02) =   0.038%
        T HG3   LYS+  99 - QE    LYS+ 102   9.80 +/- 1.66   1.719% *  0.5706% (0.68   1.0 10.00   0.02   1.48) =   0.029%
        T HG3   LYS+  99 - QE    LYS+  38   8.00 +/- 1.84   2.545% *  0.2257% (0.27   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   LYS+  38 - QE    LYS+ 102  13.47 +/- 2.84   1.345% *  0.2142% (0.26   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   71 - QE    LYS+  99  10.21 +/- 3.36   1.134% *  0.0829% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   39 - QE    LYS+ 102  11.36 +/- 2.18   2.189% *  0.0369% (0.44   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+ 102  18.86 +/- 4.93   0.167% *  0.2346% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QE    LYS+  99  14.16 +/- 2.80   0.352% *  0.0791% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QE    LYS+  99  21.69 +/- 2.70   0.079% *  0.3440% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 102  15.93 +/- 3.14   0.452% *  0.0566% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+  38  11.01 +/- 2.79   0.892% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  16.42 +/- 1.90   0.181% *  0.0835% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  18.73 +/- 4.04   0.270% *  0.0540% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  19.16 +/- 2.03   0.130% *  0.0569% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  15.22 +/- 3.27   0.294% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.81 +/- 1.53   0.095% *  0.0541% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  18.70 +/- 2.51   0.125% *  0.0369% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  15.53 +/- 2.24   0.233% *  0.0186% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  26.89 +/- 3.06   0.040% *  0.0928% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.09 +/- 1.89   0.091% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  19.40 +/- 2.39   0.114% *  0.0225% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  17.48 +/- 1.30   0.151% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.22 +/- 2.66   0.087% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  23.92 +/- 1.23   0.053% *  0.0146% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  20.06 +/- 2.55   0.107% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  27.29 +/- 2.82   0.040% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.83 +/- 0.22  71.262% * 99.1823% (1.00  10.0 10.00   4.26  75.48) =  99.980%  kept
        T HB2   GLU- 100 - HA    LYS+  38   7.11 +/- 3.16  15.280% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.013%
          QG    GLN   32 - HA    GLU- 100   9.94 +/- 3.80   7.949% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HA    GLU- 100  11.60 +/- 0.77   1.116% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  24.74 +/- 4.80   0.211% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU- 100  20.23 +/- 3.90   0.625% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  24.32 +/- 1.57   0.119% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  24.07 +/- 3.64   0.189% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.78 +/- 1.21   0.707% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.26 +/- 0.51   2.204% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  21.04 +/- 2.78   0.220% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  24.59 +/- 2.27   0.118% *  0.0059% (0.06   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 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   2.62 +/- 0.26  66.021% * 99.2716% (1.00  10.0 10.00   4.26  75.48) =  99.970%  kept
        T HB3   GLU- 100 - HA    LYS+  38   6.60 +/- 3.13  20.311% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.019%
          HB2   GLN   30 - HA    GLU- 100  12.19 +/- 3.58   4.504% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.007%
          HG3   GLN   30 - HA    GLU- 100  13.47 +/- 3.40   2.364% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - HA    GLU- 100  19.19 +/- 4.20   0.338% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  21.28 +/- 3.47   0.156% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.48 +/- 0.76   0.151% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  17.05 +/- 4.03   0.467% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.00 +/- 1.86   1.531% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.09 +/- 1.52   1.297% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  29.73 +/- 3.92   0.074% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.76 +/- 0.79   0.100% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  20.71 +/- 3.68   0.175% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.13 +/- 3.25   0.698% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.24 +/- 1.77   0.073% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.70 +/- 3.91   0.879% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  21.03 +/- 2.92   0.180% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.08 +/- 1.89   0.111% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  29.51 +/- 4.74   0.100% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  17.96 +/- 3.53   0.306% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.77 +/- 1.65   0.095% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  27.55 +/- 2.46   0.069% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.5:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.98 +/- 0.53  65.061% * 99.4988% (1.00  10.0 10.00   4.72  75.48) =  99.972%  kept
        T HG2   GLU- 100 - HA    LYS+  38   6.20 +/- 2.99  25.357% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.024%
          HB2   MET   96 - HA    GLU- 100  13.21 +/- 1.21   0.976% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.21 +/- 0.87   0.741% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU- 100  15.43 +/- 3.39   1.137% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU- 100  14.61 +/- 3.85   1.192% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLU- 100  22.24 +/- 2.98   0.224% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.77 +/- 3.82   0.383% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.16 +/- 3.33   0.398% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.06 +/- 1.96   0.120% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.60 +/- 2.14   1.461% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  16.19 +/- 1.93   0.506% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  15.48 +/- 1.31   0.527% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.27 +/- 1.38   0.744% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  22.74 +/- 2.37   0.186% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.29 +/- 3.43   0.591% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.42 +/- 1.54   0.303% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  27.92 +/- 1.86   0.093% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.4:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.83 +/- 0.22  82.012% * 98.6741% (1.00  10.0 10.00   4.26  75.48) =  99.950%  kept
        T HA    LYS+  38 - HB2   GLU- 100   7.11 +/- 3.16  17.491% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.047%
        T HD2   PRO   58 - HB2   GLU- 100  26.32 +/- 3.83   0.143% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   GLU- 100  23.38 +/- 5.85   0.253% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  27.83 +/- 2.53   0.100% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.5:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  96.646% * 99.3690% (1.00  10.0 10.00   2.00  75.48) =  99.997%  kept
          HG3   GLN   30 - HB2   GLU- 100  15.12 +/- 3.58   1.398% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HB2   GLU- 100  13.92 +/- 3.54   1.266% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HB2   GLU- 100  20.32 +/- 4.69   0.267% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.29 +/- 3.85   0.066% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.57 +/- 1.31   0.063% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  18.09 +/- 3.81   0.143% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  30.65 +/- 3.78   0.023% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.54 +/- 1.04   0.036% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  21.99 +/- 3.37   0.061% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.19 +/- 1.83   0.030% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.93 +/- 0.17  94.965% * 99.5837% (1.00  10.0 10.00   3.24  75.48) =  99.997%  kept
          HB2   ASP- 105 - HB2   GLU- 100  13.96 +/- 1.13   0.999% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  14.02 +/- 0.93   0.920% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   GLU- 100  17.10 +/- 3.46   0.942% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  15.81 +/- 3.92   1.019% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  23.80 +/- 2.82   0.252% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.97 +/- 3.39   0.405% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  26.76 +/- 2.18   0.136% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  21.82 +/- 3.62   0.361% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.26, residual support = 75.4:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.62 +/- 0.26  76.169% * 99.5406% (1.00  10.0 10.00   4.26  75.48) =  99.931%  kept
        T HA    LYS+  38 - HB3   GLU- 100   6.60 +/- 3.13  23.355% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.068%
          HA    VAL   83 - HB3   GLU- 100  23.53 +/- 5.63   0.233% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  26.59 +/- 4.21   0.154% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.06 +/- 2.99   0.088% *  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 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  98.256% * 99.6840% (1.00  10.0 10.00   2.00  75.48) =  99.999%  kept
          QG    GLN   32 - HB3   GLU- 100  10.57 +/- 3.26   1.127% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU- 100  12.06 +/- 1.32   0.347% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  21.71 +/- 3.75   0.149% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  24.69 +/- 2.20   0.038% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  25.50 +/- 5.43   0.083% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.57 +/- 0.21  96.701% * 99.0882% (1.00  10.0 10.00   3.24  75.48) =  99.996%  kept
        T HB    VAL   70 - HB3   GLU- 100  15.93 +/- 3.63   0.669% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HB3   GLU- 100  19.71 +/- 3.33   0.280% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   GLU- 100  14.45 +/- 1.19   0.576% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU- 100  14.31 +/- 0.86   0.614% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  16.55 +/- 3.16   0.624% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  23.87 +/- 2.92   0.201% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  27.07 +/- 2.01   0.094% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.34 +/- 3.37   0.240% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.71, residual support = 75.4:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.98 +/- 0.53  71.493% * 99.5406% (1.00  10.0 10.00   4.72  75.48) =  99.913%  kept
        T HA    LYS+  38 - HG2   GLU- 100   6.20 +/- 2.99  27.855% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.087%
          HA    VAL   83 - HG2   GLU- 100  24.21 +/- 6.19   0.320% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  25.88 +/- 3.91   0.215% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.67 +/- 2.92   0.118% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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   2.93 +/- 0.17  92.041% * 99.6840% (1.00  10.0 10.00   3.24  75.48) =  99.996%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.80 +/- 1.23   1.670% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   32 - HG2   GLU- 100  11.22 +/- 3.06   4.334% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG2   GLU- 100  22.01 +/- 4.37   1.459% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HG2   GLU- 100  24.03 +/- 2.11   0.184% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  24.72 +/- 4.98   0.312% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.07 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   2.57 +/- 0.21  76.487% * 98.4783% (1.00  10.0 10.00   3.24  75.48) =  99.966%  kept
          HB2   GLN   30 - HG2   GLU- 100  13.55 +/- 3.75  12.451% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.016%
          HG3   GLN   30 - HG2   GLU- 100  14.72 +/- 3.81   9.228% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.011%
        T HB3   PRO   68 - HG2   GLU- 100  19.24 +/- 4.21   0.540% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.004%
        T QB    GLU-  15 - HG2   GLU- 100  17.16 +/- 3.79   0.523% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLN   17 - HG2   GLU- 100  21.11 +/- 3.35   0.190% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   GLU- 100  20.91 +/- 3.64   0.182% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.03 +/- 1.32   0.162% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.63 +/- 1.22   0.096% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  30.34 +/- 4.16   0.056% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  26.25 +/- 2.35   0.084% *  0.0274% (0.28   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 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  99.936% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  21.47 +/- 3.29   0.064% *  0.0375% (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 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  97.730% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.998%  kept
          HA    ASN   28 - HA2   GLY  101  14.10 +/- 4.58   1.134% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HA2   GLY  101  10.90 +/- 2.36   0.770% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HA2   GLY  101  18.29 +/- 3.96   0.153% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  20.66 +/- 2.01   0.064% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.97 +/- 1.96   0.047% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  22.69 +/- 6.88   0.075% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  28.69 +/- 3.50   0.027% *  0.0277% (0.28   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 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 = 0.99, support = 6.31, residual support = 157.5:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.36 +/- 0.15  83.470% * 90.1436% (1.00  10.0 10.00   6.31 159.55) =  98.467%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.85 +/- 0.72  12.848% *  9.0254% (0.34   1.0  1.00   5.87  23.65) =   1.517%  kept
        T HB    VAL   41 - HA    LYS+ 102   8.72 +/- 2.22   2.494% *  0.4388% (0.49   1.0 10.00   0.02   0.02) =   0.014%
          HB2   LEU   71 - HA    LYS+ 102  15.04 +/- 3.30   0.473% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HA    LYS+ 102  20.20 +/- 2.47   0.155% *  0.0884% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  20.37 +/- 2.63   0.152% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.10 +/- 0.89   0.107% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  23.38 +/- 3.19   0.103% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  21.90 +/- 4.50   0.137% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.77 +/- 1.59   0.061% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.5:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.15 +/- 0.60  87.020% * 99.3298% (1.00  10.0 10.00   5.75 159.55) =  99.990%  kept
          HG    LEU   40 - HA    LYS+ 102  11.50 +/- 1.67   4.102% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   73 - HA    LYS+ 102  14.87 +/- 2.92   1.649% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HA    LYS+ 102  17.90 +/- 3.46   1.226% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LYS+ 102  19.17 +/- 3.29   0.715% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    LYS+ 102  18.89 +/- 1.57   0.566% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 102  18.81 +/- 3.23   0.565% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  19.31 +/- 5.55   1.134% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  20.88 +/- 2.67   0.414% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.37 +/- 3.39   0.891% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  17.99 +/- 3.90   0.752% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.25 +/- 1.36   0.540% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  20.05 +/- 1.36   0.424% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.99, support = 5.0, residual support = 157.3:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.06 +/- 0.72  49.953% * 94.3518% (1.00  10.0 10.00   5.05 159.55) =  98.555%  kept
          QB    LEU   98 - HA    LYS+ 102   4.24 +/- 0.69  26.676% *  2.4673% (0.34   1.0  1.00   1.53   1.96) =   1.376%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.58 +/- 0.93   1.964% *  0.8925% (0.95   1.0 10.00   0.02   0.02) =   0.037%
        T HG3   LYS+  33 - HA    LYS+ 102  13.91 +/- 2.51   0.824% *  0.8925% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          HG    LEU   98 - HA    LYS+ 102   5.25 +/- 1.52  17.285% *  0.0262% (0.28   1.0  1.00   0.02   1.96) =   0.009%
        T HG3   LYS+  65 - HA    LYS+ 102  23.20 +/- 2.98   0.147% *  0.9248% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    LYS+ 102  12.41 +/- 1.23   0.944% *  0.0925% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+ 102  15.58 +/- 2.41   0.597% *  0.0941% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 102  18.39 +/- 3.62   0.467% *  0.0354% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  22.80 +/- 3.44   0.212% *  0.0572% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  23.78 +/- 2.32   0.124% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.59 +/- 1.04   0.191% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  19.50 +/- 5.16   0.325% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  18.68 +/- 1.88   0.291% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.5:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.39 +/- 0.86  75.277% * 98.2489% (1.00 10.00   5.05 159.55) =  99.980%  kept
        T QD    LYS+  65 - HA    LYS+ 102  21.42 +/- 3.06   0.556% *  0.5562% (0.57 10.00   0.02   0.02) =   0.004%
          QD    LYS+  38 - HA    LYS+ 102  12.21 +/- 2.96   2.952% *  0.0787% (0.80  1.00   0.02   0.02) =   0.003%
          HB    VAL   83 - HA    LYS+ 102  18.21 +/- 5.30   3.308% *  0.0636% (0.65  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 111 - HA    LYS+ 102  24.25 +/- 1.53   0.306% *  0.6749% (0.69 10.00   0.02   0.02) =   0.003%
          QD    LYS+  99 - HA    LYS+ 102   8.48 +/- 0.80   7.584% *  0.0219% (0.22  1.00   0.02   1.48) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 102   9.47 +/- 1.34   5.802% *  0.0245% (0.25  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LYS+ 102  16.63 +/- 5.93   1.739% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 102  16.17 +/- 2.38   1.204% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 102  21.29 +/- 4.69   0.522% *  0.0907% (0.92  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 102  22.74 +/- 1.13   0.341% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.42 +/- 1.22   0.409% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.04, residual support = 159.4:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.61 +/- 0.18  86.738% * 98.4155% (1.00 10.00   5.05 159.55) =  99.886%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.77 +/- 1.13   9.897% *  0.6760% (0.69 10.00   0.02   1.48) =   0.078%
        T QE    LYS+  38 - HA    LYS+ 102  12.62 +/- 2.62   3.365% *  0.9085% (0.92 10.00   0.02   0.02) =   0.036%
    Distance limit 3.64 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.5:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.36 +/- 0.15  87.112% * 99.1785% (1.00  10.0 10.00   6.31 159.55) =  99.983%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.72 +/- 2.22   2.614% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.013%
          HA    CYS   21 - HB    VAL   41  12.22 +/- 3.90   4.880% *  0.0372% (0.38   1.0  1.00   0.02   0.40) =   0.002%
          HA    ALA   20 - HB    VAL   41  13.16 +/- 4.50   4.128% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  17.35 +/- 3.47   0.366% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.40 +/- 0.78   0.167% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  18.91 +/- 3.29   0.221% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  27.11 +/- 1.83   0.064% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.71 +/- 1.61   0.083% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  19.97 +/- 1.25   0.150% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  24.07 +/- 1.44   0.089% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  21.46 +/- 1.81   0.126% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 0.996, support = 5.3, residual support = 158.7:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.34 +/- 0.12  66.050% * 89.6479% (1.00  10.0 10.00   5.31 159.55) =  99.422%  kept
          HG    LEU   40 - HB    VAL   41   6.65 +/- 0.91   3.884% *  6.4647% (0.36   1.0  1.00   4.01  20.98) =   0.422%  kept
          HG    LEU   73 - HB    VAL   41   7.96 +/- 2.42   5.497% *  0.8621% (0.44   1.0  1.00   0.44   0.02) =   0.080%
        T HG    LEU   67 - HB    VAL   41  11.54 +/- 3.43  12.902% *  0.2767% (0.31   1.0 10.00   0.02   0.02) =   0.060%
        T HG2   LYS+ 102 - HB    VAL   41  10.70 +/- 1.80   0.861% *  0.4028% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T QG    LYS+  66 - HB    VAL   41  14.11 +/- 2.11   0.399% *  0.3494% (0.39   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   67 - QB    LYS+ 102  18.19 +/- 3.04   0.187% *  0.6158% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - QB    LYS+ 102  19.48 +/- 2.66   0.143% *  0.7776% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QB    LYS+ 102  11.18 +/- 1.67   0.828% *  0.0718% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HB    VAL   41  10.92 +/- 3.22   1.818% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+ 102  14.56 +/- 2.81   0.456% *  0.0879% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB    VAL   41  11.89 +/- 2.63   1.185% *  0.0212% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  10.93 +/- 4.72   2.011% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  18.40 +/- 5.33   0.574% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  16.73 +/- 3.32   0.320% *  0.0472% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.47 +/- 1.49   0.179% *  0.0718% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  17.91 +/- 3.06   0.205% *  0.0616% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  14.66 +/- 1.94   0.351% *  0.0323% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  15.54 +/- 3.40   0.339% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  16.22 +/- 4.89   0.443% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  17.01 +/- 3.62   0.265% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.61 +/- 1.24   0.169% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  18.48 +/- 1.39   0.147% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  15.57 +/- 2.12   0.299% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  15.03 +/- 1.76   0.279% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.12 +/- 2.04   0.210% *  0.0124% (0.14   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 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.904, support = 4.6, residual support = 142.7:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.38 +/- 0.17  40.135% * 58.2893% (1.00  10.0 10.00   4.75 159.55) =  87.362%  kept
        T QB    LEU   98 - HB    VAL   41   4.05 +/- 2.39  24.751% *  8.9340% (0.15   1.0 10.00   3.55  26.53) =   8.258%  kept
        T HB    VAL   42 - HB    VAL   41   5.39 +/- 0.35   3.819% * 25.6724% (0.44   1.0 10.00   4.14  28.53) =   3.661%  kept
          QB    LEU   98 - QB    LYS+ 102   5.12 +/- 0.61   4.549% *  2.2657% (0.34   1.0  1.00   2.28   1.96) =   0.385%  kept
          HG    LEU   98 - HB    VAL   41   5.22 +/- 2.52  14.835% *  0.4937% (0.12   1.0  1.00   1.36  26.53) =   0.274%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   9.06 +/- 0.91   0.809% *  0.5514% (0.95   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   LYS+  33 - QB    LYS+ 102  13.18 +/- 2.39   0.445% *  0.5514% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  33 - HB    VAL   41  10.03 +/- 1.78   0.721% *  0.2478% (0.43   1.0 10.00   0.02   0.02) =   0.007%
        T HB    VAL   42 - QB    LYS+ 102  12.13 +/- 1.26   0.307% *  0.5714% (0.98   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 102 - HB    VAL   41  10.56 +/- 1.78   0.543% *  0.2619% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HB    VAL   41  10.55 +/- 1.18   0.494% *  0.2478% (0.43   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   98 - QB    LYS+ 102   5.96 +/- 1.34   4.257% *  0.0162% (0.28   1.0  1.00   0.02   1.96) =   0.003%
        T HG3   LYS+  65 - HB    VAL   41  15.33 +/- 2.27   0.255% *  0.2567% (0.44   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 112 - HB    VAL   41  19.95 +/- 3.13   0.189% *  0.2596% (0.45   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QB    LYS+ 102  21.78 +/- 2.80   0.070% *  0.5714% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QB    LYS+ 102  21.70 +/- 2.23   0.063% *  0.5777% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HB    VAL   41   8.65 +/- 1.66   1.275% *  0.0261% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 102  15.18 +/- 2.30   0.185% *  0.0582% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  17.15 +/- 3.53   0.204% *  0.0219% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  11.13 +/- 2.08   0.951% *  0.0040% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  21.08 +/- 3.54   0.071% *  0.0354% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  17.31 +/- 5.13   0.200% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  16.26 +/- 2.38   0.215% *  0.0098% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.19 +/- 1.35   0.080% *  0.0240% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.11 +/- 2.59   0.117% *  0.0159% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.17 +/- 1.43   0.151% *  0.0108% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  16.89 +/- 3.75   0.208% *  0.0052% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  17.96 +/- 1.94   0.104% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 4.74, residual support = 159.5:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.25 +/- 0.31  78.981% * 94.6216% (1.00  10.0 10.00   4.75 159.55) =  99.950%  kept
        T QD    LYS+  38 - QB    LYS+ 102  11.14 +/- 2.47   2.363% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.024%
        T QD    LYS+ 102 - HB    VAL   41  10.24 +/- 1.89   1.554% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  38 - HB    VAL   41  11.38 +/- 1.46   1.187% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HB    VAL   41  14.41 +/- 2.44   0.486% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   93 - QB    LYS+ 102  21.10 +/- 1.38   0.119% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HB    VAL   41  17.78 +/- 3.02   0.244% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QB    LYS+ 102   7.78 +/- 1.68   4.319% *  0.0211% (0.22   1.0  1.00   0.02   1.48) =   0.001%
        T QD    LYS+  65 - QB    LYS+ 102  20.11 +/- 2.82   0.159% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HB    VAL   41  18.47 +/- 1.47   0.177% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+ 102  22.05 +/- 1.60   0.094% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    VAL   41   9.13 +/- 1.93   1.989% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   8.87 +/- 1.14   1.450% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.16 +/- 2.22   0.100% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  17.28 +/- 5.07   0.472% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  15.05 +/- 5.61   0.568% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.11 +/- 1.54   2.914% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  19.07 +/- 4.70   0.201% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  15.72 +/- 2.31   0.426% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  13.95 +/- 3.62   0.610% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  16.03 +/- 3.79   0.414% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  10.88 +/- 1.48   0.868% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  19.88 +/- 1.39   0.138% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.54 +/- 0.87   0.166% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.988, support = 4.68, residual support = 156.7:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.79 +/- 0.49  79.714% * 82.0694% (1.00 10.00   4.75 159.55) =  98.230%  kept
        T QE    LYS+  99 - HB    VAL   41   7.72 +/- 1.68   6.957% * 14.2913% (0.31 10.00   1.13   0.02) =   1.493%  kept
        T QE    LYS+  99 - QB    LYS+ 102   8.17 +/- 1.66   7.078% *  2.1725% (0.69 10.00   0.08   1.48) =   0.231%  kept
        T QE    LYS+  38 - QB    LYS+ 102  11.50 +/- 2.21   2.154% *  0.7576% (0.92 10.00   0.02   0.02) =   0.024%
        T QE    LYS+ 102 - HB    VAL   41  10.07 +/- 1.83   2.729% *  0.3688% (0.45 10.00   0.02   0.02) =   0.015%
        T QE    LYS+  38 - HB    VAL   41  11.62 +/- 1.45   1.368% *  0.3404% (0.41 10.00   0.02   0.02) =   0.007%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.6:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.15 +/- 0.60  97.362% * 99.7392% (1.00  10.0 10.00   5.75 159.55) =  99.998%  kept
          HA    CYS   21 - HG2   LYS+ 102  19.76 +/- 4.32   1.328% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - HG2   LYS+ 102  22.54 +/- 1.58   0.380% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  21.59 +/- 4.19   0.630% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  31.08 +/- 2.02   0.126% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.44 +/- 2.14   0.174% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.996, support = 5.31, residual support = 158.7:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.34 +/- 0.12  90.414% * 91.7002% (1.00  10.0 10.00   5.31 159.55) =  99.384%  kept
          HG12  ILE  103 - HG2   LYS+ 102   6.87 +/- 1.15   7.370% *  6.8876% (0.34   1.0  1.00   4.40  23.65) =   0.608%  kept
        T HB    VAL   41 - HG2   LYS+ 102  10.70 +/- 1.80   1.155% *  0.4464% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LYS+  66 - HG2   LYS+ 102  21.92 +/- 2.68   0.130% *  0.6299% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+ 102  16.67 +/- 3.55   0.404% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  21.84 +/- 2.65   0.128% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.81 +/- 1.38   0.094% *  0.0846% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  24.70 +/- 3.76   0.096% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  22.65 +/- 5.56   0.153% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.24 +/- 1.93   0.056% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 159.5:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  94.316% * 96.7067% (1.00  10.0 10.00   4.42 159.55) =  99.990%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  10.93 +/- 1.69   0.505% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - HG2   LYS+ 102  14.94 +/- 2.89   0.250% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - HG2   LYS+ 102   6.41 +/- 0.65   2.131% *  0.0330% (0.34   1.0  1.00   0.02   1.96) =   0.001%
          HG    LEU   98 - HG2   LYS+ 102   7.47 +/- 1.68   2.015% *  0.0269% (0.28   1.0  1.00   0.02   1.96) =   0.001%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.01 +/- 3.09   0.037% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.27 +/- 1.50   0.197% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  17.49 +/- 2.41   0.114% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  23.58 +/- 4.21   0.062% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  19.91 +/- 4.01   0.097% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  25.10 +/- 2.52   0.036% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  19.84 +/- 6.19   0.125% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.33 +/- 1.61   0.048% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  20.59 +/- 2.25   0.065% *  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 = 159.5:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.24 +/- 0.13  92.845% * 98.2489% (1.00  10.0 10.00   4.42 159.55) =  99.996%  kept
          QD    LYS+  38 - HG2   LYS+ 102  12.44 +/- 2.85   1.492% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG2   LYS+ 102   9.11 +/- 1.80   2.727% *  0.0219% (0.22   1.0  1.00   0.02   1.48) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 102  23.03 +/- 3.16   0.106% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  25.52 +/- 2.38   0.072% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG2   LYS+ 102  10.61 +/- 1.61   1.287% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  17.43 +/- 6.89   0.567% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  20.17 +/- 5.63   0.333% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  21.93 +/- 5.84   0.165% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  18.07 +/- 2.52   0.226% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.48 +/- 1.57   0.080% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.14 +/- 1.81   0.100% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 159.4:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.03 +/- 0.43  89.431% * 98.4155% (1.00  10.0 10.00   4.42 159.55) =  99.913%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.56 +/- 2.05   8.147% *  0.6760% (0.69   1.0 10.00   0.02   1.48) =   0.063%
        T QE    LYS+  38 - HG2   LYS+ 102  12.88 +/- 2.53   2.422% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.025%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.5:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.06 +/- 0.72  74.232% * 97.9004% (1.00  10.0 10.00   5.05 159.55) =  99.969%  kept
        T HA    LYS+ 102 - HG3   LYS+  33  13.91 +/- 2.51   1.551% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LYS+ 102 - HG3   LYS+ 106   9.58 +/- 0.93   3.396% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+ 102 - HG3   LYS+  65  23.20 +/- 2.98   0.245% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    TRP   49 - HG3   LYS+  65  16.78 +/- 6.02   2.731% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+ 102  19.47 +/- 4.46   1.526% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  33  11.02 +/- 2.45   2.993% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   50 - HG3   LYS+  65  14.69 +/- 4.79   3.071% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  65  15.19 +/- 3.52   0.912% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  65  12.93 +/- 4.13   1.931% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  12.82 +/- 2.31   1.783% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.50 +/- 4.07   0.440% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.20 +/- 0.43   1.612% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  18.94 +/- 3.25   0.918% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.03 +/- 1.66   0.287% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  21.31 +/- 4.22   0.621% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  30.52 +/- 2.02   0.105% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  27.90 +/- 1.84   0.138% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.62 +/- 3.09   0.117% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.23 +/- 2.41   0.133% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.74 +/- 2.48   0.139% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  20.74 +/- 2.47   0.366% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.02 +/- 2.18   0.214% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.80 +/- 3.22   0.540% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.902, support = 5.2, residual support = 156.8:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.38 +/- 0.17  36.912% * 49.5305% (1.00  10.0 10.00   4.75 159.55) =  54.131%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.37 +/- 0.15  37.407% * 39.5094% (0.80  10.0  1.00   5.82 159.52) =  43.758%  kept
          QB    LYS+  66 - HG3   LYS+  65   5.14 +/- 1.40  10.675% *  5.8639% (0.56   1.0  1.00   4.24  30.49) =   1.853%  kept
          HG12  ILE  103 - HG3   LYS+ 102   6.46 +/- 1.17   2.501% *  3.2607% (0.34   1.0  1.00   3.86  23.65) =   0.241%  kept
        T HB    VAL   41 - HG3   LYS+ 102  10.56 +/- 1.78   0.559% *  0.2411% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+ 102 - HG3   LYS+  33  13.18 +/- 2.39   0.365% *  0.2460% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - HG3   LYS+  33  10.03 +/- 1.78   0.599% *  0.1198% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.06 +/- 0.91   0.746% *  0.0902% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG3   LYS+  33  10.48 +/- 2.76   1.758% *  0.0237% (0.48   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+  65  15.33 +/- 2.27   0.194% *  0.1962% (0.40   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  21.78 +/- 2.80   0.056% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  10.55 +/- 1.18   0.477% *  0.0439% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG3   LYS+  65  15.95 +/- 3.50   0.401% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.03 +/- 1.73   3.853% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65  13.26 +/- 5.54   0.591% *  0.0196% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.73 +/- 1.42   0.221% *  0.0389% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  16.68 +/- 3.34   0.163% *  0.0478% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  14.57 +/- 4.37   0.435% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  21.57 +/- 2.50   0.057% *  0.0485% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  17.67 +/- 2.10   0.107% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  21.71 +/- 2.45   0.059% *  0.0340% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.70 +/- 2.37   0.118% *  0.0169% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.26 +/- 1.23   0.040% *  0.0457% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  16.71 +/- 3.04   0.187% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.49 +/- 1.59   0.178% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  15.02 +/- 1.96   0.170% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.24 +/- 3.18   0.157% *  0.0088% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  20.48 +/- 3.29   0.084% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.38 +/- 3.29   0.161% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  17.56 +/- 3.45   0.160% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  24.71 +/- 3.69   0.038% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  17.81 +/- 3.56   0.128% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  26.07 +/- 2.23   0.031% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.49 +/- 5.07   0.064% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  23.13 +/- 4.31   0.062% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  23.61 +/- 3.91   0.051% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.72 +/- 1.83   0.024% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.35 +/- 4.23   0.109% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.28 +/- 3.16   0.027% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.63 +/- 2.51   0.073% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.992, support = 4.41, residual support = 156.3:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  66.751% * 84.8236% (1.00  10.0 10.00   4.42 159.55) =  97.495%  kept
          QG    LYS+  66 - HG3   LYS+  65   5.54 +/- 1.92  11.523% * 12.3151% (0.71   1.0  1.00   4.11  30.49) =   2.443%  kept
          QB    ALA   61 - HG3   LYS+  65   5.59 +/- 2.27  11.928% *  0.2647% (0.43   1.0  1.00   0.15   0.02) =   0.054%
        T HG2   LYS+ 102 - HG3   LYS+  33  14.94 +/- 2.89   0.177% *  0.4214% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+ 106  10.93 +/- 1.69   0.360% *  0.1545% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HG3   LYS+  65   8.66 +/- 1.42   0.804% *  0.0474% (0.56   1.0  1.00   0.02   0.29) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   8.24 +/- 0.97   0.762% *  0.0474% (0.56   1.0  1.00   0.02   0.29) =   0.001%
          HG    LEU   73 - HG3   LYS+  33  11.32 +/- 4.20   0.606% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.01 +/- 3.09   0.026% *  0.6903% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  13.19 +/- 2.16   0.238% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  12.73 +/- 1.55   0.213% *  0.0677% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  11.98 +/- 2.31   0.870% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   9.27 +/- 3.64   1.014% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  16.44 +/- 3.00   0.119% *  0.0831% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.24 +/- 1.85   0.275% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.15 +/- 1.75   0.166% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.72 +/- 3.05   0.151% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  20.80 +/- 5.89   0.163% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  19.00 +/- 3.72   0.095% *  0.0446% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  19.87 +/- 2.26   0.054% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  15.56 +/- 3.10   0.125% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.58 +/- 1.97   0.285% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.68 +/- 3.22   0.159% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  20.90 +/- 3.27   0.056% *  0.0583% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  16.05 +/- 2.70   0.111% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  16.62 +/- 2.90   0.145% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  13.81 +/- 3.05   0.185% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  20.56 +/- 3.25   0.052% *  0.0583% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  18.15 +/- 2.72   0.078% *  0.0366% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  22.22 +/- 2.55   0.037% *  0.0736% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.03 +/- 1.86   0.152% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.72 +/- 4.07   0.108% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.54 +/- 2.09   0.145% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  19.17 +/- 4.01   0.085% *  0.0235% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  15.47 +/- 1.99   0.114% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  19.37 +/- 4.51   0.081% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  22.71 +/- 3.20   0.045% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  14.59 +/- 2.99   0.183% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  17.60 +/- 4.65   0.139% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  20.31 +/- 7.23   0.098% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  19.95 +/- 1.85   0.050% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  17.49 +/- 4.39   0.118% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  18.38 +/- 3.63   0.088% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.87 +/- 1.15   0.241% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  20.99 +/- 1.74   0.042% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  13.32 +/- 3.24   0.225% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  20.34 +/- 3.44   0.074% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.84 +/- 1.87   0.196% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.24 +/- 4.66   0.108% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.82 +/- 3.36   0.042% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  23.33 +/- 3.46   0.043% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.01 +/- 3.51   0.095% *  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 = 0.79, support = 4.14, residual support = 158.7:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.46 +/- 0.12  27.890% * 63.6907% (1.00  10.0 10.00   4.00 159.55) =  63.614%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.37 +/- 0.17  31.488% * 29.3443% (0.46  10.0 10.00   4.36 159.52) =  33.091%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.36 +/- 0.16  31.593% *  2.8935% (0.05  10.0  1.00   4.62 135.02) =   3.274%  kept
        T QD    LYS+ 102 - HG3   LYS+  33  14.36 +/- 2.88   0.326% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HG3   LYS+ 106   9.39 +/- 1.51   0.627% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - HG3   LYS+  33  12.30 +/- 4.10   0.475% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+  65  12.36 +/- 1.78   0.265% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - HG3   LYS+ 102  12.98 +/- 2.84   0.542% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  17.76 +/- 2.69   0.095% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  20.95 +/- 3.40   0.061% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  22.74 +/- 2.89   0.040% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 102  22.75 +/- 3.12   0.045% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG3   LYS+  65  15.76 +/- 3.60   0.320% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  33  18.22 +/- 2.45   0.081% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 106  18.64 +/- 3.88   0.217% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.02 +/- 2.54   0.029% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   9.49 +/- 1.92   0.767% *  0.0142% (0.22   1.0  1.00   0.02   1.48) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.36 +/- 1.20   0.414% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  15.87 +/- 1.76   0.120% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  17.21 +/- 6.51   0.266% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.22 +/- 1.86   0.513% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  18.38 +/- 4.34   0.232% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  19.59 +/- 5.63   0.144% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.60 +/- 1.82   0.124% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  11.49 +/- 2.98   0.677% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  17.68 +/- 3.17   0.097% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  21.78 +/- 5.35   0.064% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  30.25 +/- 3.19   0.017% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  12.40 +/- 5.86   0.527% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  17.11 +/- 2.22   0.101% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  19.80 +/- 3.80   0.073% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  20.52 +/- 2.65   0.056% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  20.53 +/- 4.72   0.113% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  23.94 +/- 1.52   0.031% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  18.88 +/- 3.71   0.125% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  21.25 +/- 6.06   0.074% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  15.34 +/- 1.54   0.135% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  23.27 +/- 4.49   0.047% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  22.55 +/- 1.63   0.037% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  16.03 +/- 3.96   0.156% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.14 +/- 1.52   0.418% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  17.68 +/- 4.16   0.099% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.13 +/- 1.58   0.159% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.35 +/- 2.55   0.105% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  18.14 +/- 2.83   0.084% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  26.19 +/- 2.30   0.024% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  17.84 +/- 2.09   0.083% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.41 +/- 1.99   0.023% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 159.4:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.31 +/- 0.33  85.299% * 94.7812% (1.00  10.0 10.00   4.00 159.55) =  99.928%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.88 +/- 2.13   3.038% *  0.6511% (0.69   1.0 10.00   0.02   1.48) =   0.024%
        T QE    LYS+ 102 - HG3   LYS+  33  14.41 +/- 3.13   1.940% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+  38 - HG3   LYS+ 102  13.41 +/- 2.50   0.795% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.009%
        T QE    LYS+  99 - HG3   LYS+  33  11.02 +/- 3.08   1.929% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  38 - HG3   LYS+  33  10.35 +/- 0.75   1.136% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+ 102 - HG3   LYS+ 106   8.99 +/- 2.06   2.829% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  99 - HG3   LYS+ 106  11.46 +/- 1.57   1.983% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+  65  17.35 +/- 3.11   0.262% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  38 - HG3   LYS+  65  20.31 +/- 3.04   0.168% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  65  22.33 +/- 2.77   0.118% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG3   LYS+ 106  17.47 +/- 2.71   0.503% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.5:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.39 +/- 0.86  64.604% * 98.9625% (1.00 10.00   5.05 159.55) =  99.952%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.96 +/- 1.55  17.371% *  0.1493% (0.13  1.00   0.24   0.02) =   0.041%
        T HA    LYS+ 102 - QD    LYS+  65  21.42 +/- 3.06   0.465% *  0.2501% (0.25 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 102 - HD2   LYS+ 111  24.25 +/- 1.53   0.244% *  0.2587% (0.26 10.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+ 102  18.28 +/- 3.95   0.693% *  0.0827% (0.84  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QD    LYS+  65  15.37 +/- 5.27   3.353% *  0.0162% (0.16  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QD    LYS+  65  13.60 +/- 4.42   3.975% *  0.0112% (0.11  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+  65  14.14 +/- 2.60   1.509% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.60 +/- 1.20   0.449% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  12.09 +/- 3.41   3.266% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.80 +/- 3.44   1.216% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  27.66 +/- 2.02   0.160% *  0.0640% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.51 +/- 3.86   0.553% *  0.0167% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  19.94 +/- 3.88   0.465% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.29 +/- 1.99   0.203% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  26.99 +/- 4.63   0.397% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.13 +/- 3.77   0.657% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  26.22 +/- 4.05   0.420% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.837, support = 4.85, residual support = 158.2:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.25 +/- 0.31  39.661% * 70.3035% (1.00  10.0 10.00   4.75 159.55) =  78.278%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.17 +/- 0.15  42.402% * 17.4176% (0.25  10.0 10.00   5.33 159.52) =  20.733%  kept
          QB    LYS+  66 - QD    LYS+  65   5.17 +/- 1.06   5.489% *  2.7235% (0.17   1.0  1.00   4.46  30.49) =   0.420%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.26 +/- 1.01   2.377% *  4.6774% (0.34   1.0  1.00   3.90  23.65) =   0.312%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.66 +/- 3.85   4.566% *  1.9075% (0.24   1.0 10.00   0.22   0.02) =   0.245%  kept
        T HB    VAL   41 - QD    LYS+ 102  10.24 +/- 1.89   0.572% *  0.3422% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  65 - QD    LYS+ 102  19.85 +/- 2.41   0.068% *  0.6891% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+  65  14.97 +/- 3.11   0.272% *  0.1640% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+ 102  21.00 +/- 1.13   0.049% *  0.6490% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  65  14.41 +/- 2.44   0.252% *  0.0865% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD2   LYS+ 111  18.05 +/- 3.16   0.111% *  0.1802% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65  11.94 +/- 5.37   1.843% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.11 +/- 2.82   0.073% *  0.1777% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.72 +/- 3.03   0.160% *  0.0678% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  18.28 +/- 3.18   0.329% *  0.0284% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  20.24 +/- 5.00   0.083% *  0.1085% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.05 +/- 1.60   0.042% *  0.1838% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  14.85 +/- 2.89   0.233% *  0.0274% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  12.73 +/- 1.69   0.269% *  0.0171% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.16 +/- 2.22   0.044% *  0.0895% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  19.99 +/- 2.60   0.065% *  0.0483% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.86 +/- 3.66   0.050% *  0.0342% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.66 +/- 3.04   0.087% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  16.27 +/- 3.35   0.329% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  13.08 +/- 3.30   0.312% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.04 +/- 3.33   0.118% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.42 +/- 3.52   0.032% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.43 +/- 1.91   0.056% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  24.99 +/- 1.68   0.029% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  29.10 +/- 5.06   0.028% *  0.0089% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.988, support = 4.42, residual support = 157.7:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.24 +/- 0.13  52.112% * 92.7661% (1.00  10.0 10.00   4.42 159.55) =  98.560%  kept
          QG    LYS+  66 - QD    LYS+  65   5.24 +/- 1.62  12.857% *  4.6963% (0.22   1.0  1.00   4.62  30.49) =   1.231%  kept
          QB    ALA  110 - HD2   LYS+ 111   5.29 +/- 1.33   8.576% *  1.1407% (0.08   1.0  1.00   3.05   9.11) =   0.199%  kept
          QB    ALA   61 - QD    LYS+  65   5.41 +/- 1.72  14.607% *  0.0123% (0.13   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   40 - QD    LYS+ 102  12.42 +/- 1.90   0.429% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HD2   LYS+ 111   9.28 +/- 1.85   1.536% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    LYS+ 102  15.44 +/- 2.79   0.232% *  0.0909% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.31 +/- 1.11   1.268% *  0.0161% (0.17   1.0  1.00   0.02   0.29) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.60 +/- 1.15   1.093% *  0.0161% (0.17   1.0  1.00   0.02   0.29) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.03 +/- 3.16   0.061% *  0.2345% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  11.98 +/- 1.67   0.460% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  25.52 +/- 2.38   0.042% *  0.2425% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  19.04 +/- 5.33   0.317% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  17.44 +/- 3.31   0.202% *  0.0488% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  18.02 +/- 1.92   0.117% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.61 +/- 2.04   1.430% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  13.84 +/- 3.14   0.403% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  19.12 +/- 3.16   0.118% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  19.44 +/- 3.32   0.117% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  20.44 +/- 2.73   0.088% *  0.0805% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.38 +/- 2.16   0.376% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.82 +/- 3.95   0.274% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  18.12 +/- 4.23   0.173% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.69 +/- 1.87   0.566% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  22.31 +/- 5.83   0.142% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  17.88 +/- 1.42   0.111% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  19.04 +/- 3.37   0.131% *  0.0210% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.32 +/- 2.07   0.203% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  12.86 +/- 2.69   0.425% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  19.04 +/- 1.43   0.093% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.26 +/- 2.10   0.359% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.67 +/- 2.86   0.270% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  17.71 +/- 3.73   0.239% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  14.13 +/- 1.75   0.256% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.36 +/- 2.04   0.074% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  21.93 +/- 3.18   0.080% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.22 +/- 2.96   0.073% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.83 +/- 3.90   0.052% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.80 +/- 3.93   0.039% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.834, support = 4.08, residual support = 159.1:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.46 +/- 0.12  36.641% * 72.7009% (1.00  10.0 10.00   4.00 159.55) =  77.910%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.37 +/- 0.17  41.368% * 18.0116% (0.25  10.0 10.00   4.36 159.52) =  21.792%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   7.23 +/- 1.15   1.921% *  4.4700% (0.26   1.0  1.00   4.75  28.90) =   0.251%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.39 +/- 1.51   0.811% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+  33 - QD    LYS+ 102  14.36 +/- 2.88   0.406% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   PRO   93 - HD2   LYS+ 111  10.68 +/- 3.81   2.536% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   LEU   73 - QD    LYS+ 102  16.10 +/- 2.24   0.155% *  0.7254% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QD    LYS+ 102   7.11 +/- 1.73   3.973% *  0.0202% (0.28   1.0  1.00   0.02   1.96) =   0.002%
          QB    LEU   98 - QD    LYS+ 102   6.10 +/- 0.96   3.165% *  0.0248% (0.34   1.0  1.00   0.02   1.96) =   0.002%
        T HG3   LYS+ 106 - QD    LYS+  65  18.64 +/- 3.88   0.333% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QD    LYS+  65  11.40 +/- 2.75   2.216% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QD    LYS+ 102  22.74 +/- 2.89   0.055% *  0.7126% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HD2   LYS+ 111  15.87 +/- 1.76   0.158% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - HD2   LYS+ 111  22.36 +/- 5.46   0.108% *  0.1896% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QD    LYS+  65  18.22 +/- 2.45   0.110% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  13.22 +/- 1.43   0.260% *  0.0713% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HD2   LYS+ 111  20.95 +/- 3.40   0.082% *  0.1863% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  22.75 +/- 3.12   0.063% *  0.1838% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  11.76 +/- 1.80   0.423% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.02 +/- 2.54   0.038% *  0.1901% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  13.48 +/- 3.12   0.918% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  17.54 +/- 3.79   0.158% *  0.0273% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  22.16 +/- 1.91   0.056% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  30.25 +/- 3.19   0.022% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65   9.39 +/- 2.97   1.330% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  21.85 +/- 3.74   0.084% *  0.0441% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  15.79 +/- 2.45   0.190% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.79 +/- 5.58   0.194% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.52 +/- 3.87   0.524% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  19.78 +/- 1.27   0.072% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  16.66 +/- 3.88   0.185% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  15.57 +/- 3.04   0.324% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  18.80 +/- 2.32   0.103% *  0.0186% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.07 +/- 3.17   0.214% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  18.90 +/- 2.06   0.088% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.67 +/- 2.85   0.121% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.54 +/- 3.06   0.227% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.01 +/- 1.74   0.085% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.64 +/- 2.86   0.142% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.47 +/- 2.28   0.061% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  31.99 +/- 4.70   0.021% *  0.0115% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.94 +/- 3.49   0.057% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.5:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.02  95.421% * 97.1326% (1.00  10.0 10.00   4.00 159.55) =  99.968%  kept
        T QE    LYS+  38 - QD    LYS+ 102  12.43 +/- 2.79   1.607% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.016%
        T QE    LYS+  99 - QD    LYS+ 102   9.39 +/- 1.86   2.075% *  0.6672% (0.69   1.0 10.00   0.02   1.48) =   0.015%
        T QE    LYS+  99 - QD    LYS+  65  16.09 +/- 3.11   0.343% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QD    LYS+  65  18.61 +/- 2.96   0.181% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  20.58 +/- 2.82   0.127% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.84 +/- 2.37   0.100% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.35 +/- 1.61   0.098% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  27.54 +/- 2.67   0.046% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 159.4:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.61 +/- 0.18  79.007% * 98.6090% (1.00 10.00   5.05 159.55) =  99.909%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.77 +/- 1.13   9.017% *  0.6725% (0.68 10.00   0.02   1.48) =   0.078%
        T HA    LYS+ 102 - QE    LYS+  38  12.62 +/- 2.62   3.066% *  0.2257% (0.23 10.00   0.02   0.02) =   0.009%
          HA    CYS   21 - QE    LYS+ 102  17.93 +/- 4.18   1.370% *  0.0824% (0.84  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QE    LYS+  99  16.28 +/- 2.92   1.577% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QE    LYS+ 102  19.11 +/- 1.77   0.615% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  16.76 +/- 2.61   1.168% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.25 +/- 1.49   0.473% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  18.05 +/- 2.45   0.785% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  19.63 +/- 4.07   0.700% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  27.22 +/- 2.18   0.199% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  24.86 +/- 1.90   0.268% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  26.56 +/- 2.45   0.222% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.87 +/- 2.29   0.299% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  18.70 +/- 2.38   0.696% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.44 +/- 2.43   0.226% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  30.75 +/- 3.04   0.140% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  28.52 +/- 2.56   0.172% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.978, support = 4.66, residual support = 154.5:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.79 +/- 0.49  58.616% * 76.5568% (1.00 10.00   4.75 159.55) =  96.620%  kept
        T HB    VAL   41 - QE    LYS+  99   7.72 +/- 1.68   5.143% * 14.3381% (0.33 10.00   1.13   0.02) =   1.588%  kept
          HG12  ILE  103 - QE    LYS+ 102   5.90 +/- 1.12  13.592% *  5.1639% (0.34  1.00   3.95  23.65) =   1.511%  kept
        T QB    LYS+ 102 - QE    LYS+  99   8.17 +/- 1.66   5.269% *  2.0121% (0.68 10.00   0.08   1.48) =   0.228%  kept
          HG12  ILE  103 - QE    LYS+  99   9.69 +/- 1.21   1.664% *  0.6535% (0.23  1.00   0.73   0.12) =   0.023%
        T HB    VAL   41 - QE    LYS+ 102  10.07 +/- 1.83   1.856% *  0.3726% (0.49 10.00   0.02   0.02) =   0.015%
        T QB    LYS+ 102 - QE    LYS+  38  11.50 +/- 2.21   1.361% *  0.1752% (0.23 10.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - QE    LYS+  99  10.08 +/- 3.15   2.820% *  0.0504% (0.66  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - QE    LYS+  38  11.62 +/- 1.45   0.966% *  0.0853% (0.11 10.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QE    LYS+ 102  15.58 +/- 2.95   0.545% *  0.0739% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  38  11.29 +/- 2.51   1.734% *  0.0169% (0.22  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+  99  14.92 +/- 2.76   0.521% *  0.0512% (0.67  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  99  13.81 +/- 3.08   0.664% *  0.0359% (0.47  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+ 102  19.49 +/- 2.24   0.209% *  0.0750% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.52 +/- 1.41   0.180% *  0.0707% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  19.67 +/- 2.51   0.211% *  0.0526% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  17.08 +/- 3.12   0.418% *  0.0254% (0.33  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.25 +/- 1.66   0.207% *  0.0482% (0.63  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  14.73 +/- 5.35   0.985% *  0.0081% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.55 +/- 3.06   0.580% *  0.0120% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  17.85 +/- 2.69   0.314% *  0.0172% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  22.86 +/- 3.68   0.140% *  0.0373% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  17.62 +/- 3.73   0.362% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.77 +/- 2.37   0.510% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  20.26 +/- 4.58   0.237% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  25.92 +/- 2.13   0.094% *  0.0162% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  19.37 +/- 5.78   0.499% *  0.0027% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  24.60 +/- 2.14   0.108% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.78 +/- 2.61   0.128% *  0.0081% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  28.98 +/- 3.00   0.066% *  0.0027% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 4.38, residual support = 158.0:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.03 +/- 0.43  49.323% * 95.5183% (1.00  10.0 10.00   4.42 159.55) =  98.949%  kept
          HG    LEU   40 - QE    LYS+  99   5.13 +/- 1.54  18.799% *  2.4324% (0.55   1.0  1.00   0.93  10.27) =   0.960%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.56 +/- 2.05   4.741% *  0.6514% (0.68   1.0 10.00   0.02   1.48) =   0.065%
        T HG2   LYS+ 102 - QE    LYS+  38  12.88 +/- 2.53   1.352% *  0.2186% (0.23   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   61 - QE    LYS+  99  13.53 +/- 4.45   3.534% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   40 - QE    LYS+ 102  12.43 +/- 2.07   1.296% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QE    LYS+ 102  15.10 +/- 2.93   1.037% *  0.0936% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QE    LYS+  99  13.39 +/- 2.63   1.061% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+  99  14.17 +/- 3.32   1.064% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  99  12.35 +/- 2.98   1.177% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  99  12.28 +/- 3.24   1.157% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  38   9.73 +/- 1.57   2.272% *  0.0175% (0.18   1.0  1.00   0.02   0.59) =   0.001%
          QB    ALA   61 - QE    LYS+ 102  17.19 +/- 3.01   0.525% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+ 102  17.66 +/- 1.91   0.322% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  99  15.38 +/- 1.90   0.468% *  0.0522% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+ 102  19.13 +/- 3.36   0.345% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  13.62 +/- 2.76   1.271% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  18.83 +/- 3.15   0.292% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  12.37 +/- 3.79   1.166% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  20.13 +/- 2.41   0.213% *  0.0829% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  15.79 +/- 3.72   0.668% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  18.01 +/- 4.30   0.622% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  18.58 +/- 5.25   0.413% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  16.87 +/- 3.29   0.634% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.17 +/- 3.11   0.786% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.99 +/- 2.40   0.541% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.46 +/- 1.90   0.337% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  15.46 +/- 2.57   0.572% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  17.00 +/- 4.01   0.696% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  20.21 +/- 4.34   0.322% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  15.96 +/- 1.80   0.402% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.51 +/- 1.49   0.296% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  18.73 +/- 1.34   0.248% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  14.78 +/- 3.13   0.771% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  21.32 +/- 2.53   0.195% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  17.00 +/- 3.98   0.592% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  23.43 +/- 4.76   0.171% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  22.63 +/- 2.34   0.151% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  21.82 +/- 2.15   0.168% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.995, support = 3.99, residual support = 158.7:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.31 +/- 0.33  58.191% * 87.1506% (1.00  10.0 10.00   4.00 159.55) =  99.424%  kept
          QB    LEU   98 - QE    LYS+  99   6.42 +/- 0.63   3.801% *  4.2786% (0.23   1.0  1.00   4.22  18.22) =   0.319%  kept
          HG    LEU   98 - QE    LYS+  99   7.44 +/- 1.19   3.110% *  2.1424% (0.19   1.0  1.00   2.59  18.22) =   0.131%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   8.99 +/- 2.06   1.932% *  0.8244% (0.95   1.0 10.00   0.02   0.02) =   0.031%
        T HG3   LYS+ 102 - QE    LYS+  99   9.88 +/- 2.13   2.067% *  0.5943% (0.68   1.0 10.00   0.02   1.48) =   0.024%
        T HG3   LYS+  33 - QE    LYS+ 102  14.41 +/- 3.13   1.253% *  0.8244% (0.95   1.0 10.00   0.02   0.02) =   0.020%
        T HG3   LYS+ 106 - QE    LYS+  99  11.46 +/- 1.57   1.324% *  0.5622% (0.65   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   LYS+  33 - QE    LYS+  99  11.02 +/- 3.08   1.319% *  0.5622% (0.65   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   LYS+  33 - QE    LYS+  38  10.35 +/- 0.75   0.766% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QE    LYS+ 102   6.03 +/- 0.85   4.683% *  0.0297% (0.34   1.0  1.00   0.02   1.96) =   0.003%
          HB    VAL   42 - QE    LYS+  99   8.55 +/- 2.06   1.994% *  0.0583% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    LYS+ 102   7.10 +/- 1.55   4.482% *  0.0242% (0.28   1.0  1.00   0.02   1.96) =   0.002%
        T HG3   LYS+ 102 - QE    LYS+  38  13.41 +/- 2.50   0.524% *  0.1995% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QE    LYS+  99  17.35 +/- 3.11   0.178% *  0.5826% (0.67   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QE    LYS+ 102  22.33 +/- 2.77   0.080% *  0.8542% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  17.47 +/- 2.71   0.336% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+ 102  13.04 +/- 1.29   0.412% *  0.0854% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+ 102  15.75 +/- 2.50   0.284% *  0.0870% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  20.31 +/- 3.04   0.114% *  0.1955% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  14.16 +/- 2.39   0.355% *  0.0593% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.12 +/- 2.56   2.945% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  12.53 +/- 5.94   1.321% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  15.50 +/- 7.00   2.990% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.84 +/- 2.11   1.728% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.31 +/- 4.72   0.956% *  0.0121% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  17.14 +/- 3.92   0.313% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  19.69 +/- 2.59   0.148% *  0.0589% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  13.41 +/- 1.70   0.423% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  21.80 +/- 1.93   0.088% *  0.0864% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  18.08 +/- 3.70   0.186% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  21.90 +/- 3.67   0.114% *  0.0529% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  19.31 +/- 1.43   0.127% *  0.0358% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  17.95 +/- 5.21   0.253% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.92 +/- 1.67   0.191% *  0.0199% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.70 +/- 1.54   0.142% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  19.19 +/- 2.35   0.145% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  15.85 +/- 2.67   0.232% *  0.0092% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  18.53 +/- 2.07   0.151% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  25.55 +/- 3.02   0.056% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  22.70 +/- 2.44   0.080% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  24.28 +/- 2.02   0.066% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  18.48 +/- 2.71   0.141% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.79, support = 4.01, residual support = 169.6:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.02  29.587% * 72.2175% (1.00  10.0 10.00   4.00 159.55) =  74.689%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  29.864% * 13.2369% (0.18  10.0  1.00   3.74 221.00) =  13.818%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  29.890% * 10.9650% (0.15  10.0 10.00   4.41 173.61) =  11.456%  kept
        T QD    LYS+ 102 - QE    LYS+  99   9.39 +/- 1.86   0.659% *  0.4925% (0.68   1.0 10.00   0.02   1.48) =   0.011%
        T QD    LYS+ 106 - QE    LYS+ 102   8.61 +/- 2.09   0.736% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.005%
          QD    LYS+  38 - QE    LYS+  99   6.74 +/- 1.47   2.420% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - QE    LYS+ 102   9.31 +/- 1.64   0.578% *  0.1608% (0.22   1.0 10.00   0.02   1.48) =   0.003%
        T QD    LYS+ 102 - QE    LYS+  38  12.43 +/- 2.79   0.492% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - QE    LYS+  38   7.05 +/- 2.14   2.014% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 106 - QE    LYS+  99  11.61 +/- 2.08   0.552% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - QE    LYS+ 102  12.49 +/- 2.94   1.041% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+  99  16.09 +/- 3.11   0.104% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 102  20.58 +/- 2.82   0.039% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.84 +/- 2.37   0.031% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  99  11.73 +/- 5.50   0.453% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.35 +/- 1.61   0.030% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  14.23 +/- 5.50   0.201% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  15.51 +/- 6.04   0.211% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  17.34 +/- 5.35   0.129% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.85 +/- 2.96   0.127% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  18.61 +/- 2.96   0.056% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  19.60 +/- 4.85   0.056% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.29 +/- 2.66   0.091% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.53 +/- 2.03   0.109% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.16 +/- 1.58   0.030% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  19.90 +/- 3.68   0.060% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  19.83 +/- 2.11   0.040% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  27.54 +/- 2.67   0.014% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  19.23 +/- 5.89   0.105% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.70 +/- 1.78   0.033% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  20.98 +/- 1.11   0.030% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  17.70 +/- 4.95   0.089% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.05 +/- 2.04   0.067% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  23.69 +/- 3.98   0.026% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  26.27 +/- 2.30   0.016% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  26.54 +/- 1.56   0.015% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.811, support = 5.71, residual support = 138.0:
    * O T HB    ILE  103 - HA    ILE  103   2.97 +/- 0.05  31.172% * 78.8978% (1.00  10.0 10.00   5.66 138.77) =  76.144%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.55 +/- 0.48  47.996% * 15.6138% (0.20  10.0 10.00   5.98 138.77) =  23.202%  kept
          HB3   LYS+  38 - HA    THR   39   4.83 +/- 0.30   7.777% *  1.2793% (0.08   1.0  1.00   3.94  30.37) =   0.308%  kept
          HB3   ASP- 105 - HA    ILE  103   6.66 +/- 0.65   3.353% *  2.9585% (0.99   1.0  1.00   0.76   3.32) =   0.307%  kept
          QB    LYS+ 106 - HA    ILE  103   6.97 +/- 1.21   3.212% *  0.3022% (0.80   1.0  1.00   0.10   0.02) =   0.030%
        T HB    ILE  103 - HA    THR   39  14.55 +/- 1.45   0.323% *  0.2607% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HA    THR   39  12.95 +/- 3.95   1.750% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  13.57 +/- 1.76   0.485% *  0.0746% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    THR   39   9.38 +/- 0.77   0.972% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ILE  103  19.54 +/- 3.39   0.177% *  0.0787% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  13.69 +/- 2.20   0.437% *  0.0258% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  19.84 +/- 3.30   0.141% *  0.0659% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.69 +/- 1.93   0.423% *  0.0209% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.57 +/- 1.52   0.379% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.43 +/- 3.09   0.074% *  0.0787% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  22.73 +/- 2.66   0.079% *  0.0708% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  18.95 +/- 4.17   0.154% *  0.0324% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.73 +/- 1.88   0.158% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  18.72 +/- 5.32   0.216% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.99 +/- 1.47   0.071% *  0.0324% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.41 +/- 1.40   0.368% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  26.83 +/- 4.24   0.063% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.32 +/- 1.85   0.058% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.51 +/- 2.40   0.087% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  29.80 +/- 1.89   0.032% *  0.0234% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.08 +/- 2.13   0.041% *  0.0107% (0.14   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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.877, support = 5.41, residual support = 137.7:
    * O T QG2   ILE  103 - HA    ILE  103   2.63 +/- 0.19  44.215% * 65.6855% (1.00  10.0 10.00   5.58 138.77) =  78.022%  kept
        T QD1   ILE  103 - HA    ILE  103   3.36 +/- 0.60  26.672% * 29.4489% (0.45   1.0 10.00   4.88 138.77) =  21.101%  kept
          QD2   LEU   40 - HA    THR   39   5.51 +/- 0.66   7.198% *  3.9043% (0.32   1.0  1.00   3.73  23.99) =   0.755%  kept
          QD2   LEU   71 - HA    THR   39   6.43 +/- 2.95  12.742% *  0.3149% (0.19   1.0  1.00   0.51   0.15) =   0.108%  kept
          QD2   LEU   40 - HA    ILE  103   6.63 +/- 1.01   4.004% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.007%
        T QG2   ILE  103 - HA    THR   39  12.23 +/- 1.19   0.526% *  0.2170% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE  103 - HA    THR   39  12.50 +/- 1.38   0.452% *  0.0973% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  12.76 +/- 2.90   0.657% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    THR   39  10.16 +/- 2.17   1.135% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  11.99 +/- 2.41   0.627% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HA    ILE  103  13.23 +/- 1.96   0.395% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  17.46 +/- 1.61   0.155% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.56 +/- 2.93   0.326% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.00 +/- 2.34   0.194% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.40 +/- 3.11   0.462% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  15.84 +/- 1.29   0.239% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.712, support = 5.08, residual support = 138.2:
    *   T QD1   ILE  103 - HA    ILE  103   3.36 +/- 0.60  26.842% * 77.1886% (0.92   1.0 10.00   4.88 138.77) =  68.758%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.63 +/- 0.19  44.497% * 20.8502% (0.25  10.0 10.00   5.58 138.77) =  30.789%  kept
          QD2   LEU   71 - HA    THR   39   6.43 +/- 2.95  12.823% *  0.5915% (0.28   1.0  1.00   0.51   0.15) =   0.252%  kept
          QD2   LEU   40 - HA    THR   39   5.51 +/- 0.66   7.244% *  0.7946% (0.05   1.0  1.00   3.73  23.99) =   0.191%  kept
        T QD1   ILE  103 - HA    THR   39  12.50 +/- 1.38   0.454% *  0.2550% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HA    ILE  103   6.63 +/- 1.01   4.030% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HA    ILE  103  11.99 +/- 2.41   0.631% *  0.0698% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE  103 - HA    THR   39  12.23 +/- 1.19   0.529% *  0.0689% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  14.56 +/- 2.93   0.329% *  0.0834% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    THR   39  15.40 +/- 3.11   0.465% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.76 +/- 2.90   0.662% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39  10.16 +/- 2.17   1.143% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  17.46 +/- 1.61   0.156% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.00 +/- 2.34   0.195% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.8:
    * O T HA    ILE  103 - HB    ILE  103   2.97 +/- 0.05  94.555% * 98.6567% (1.00  10.0 10.00   5.66 138.77) =  99.990%  kept
        T HA    THR   39 - HB    ILE  103  14.55 +/- 1.45   0.924% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - HB    ILE  103  13.14 +/- 1.00   1.175% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB    ILE  103  17.98 +/- 2.48   0.518% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  20.14 +/- 5.12   0.504% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB    ILE  103  20.81 +/- 3.53   0.424% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  17.66 +/- 6.33   1.026% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  30.79 +/- 4.20   0.114% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.44 +/- 1.52   0.140% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.42 +/- 1.84   0.274% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  29.20 +/- 4.20   0.158% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  25.74 +/- 3.32   0.186% *  0.0220% (0.22   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 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 = 0.85, support = 5.04, residual support = 138.8:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  53.469% * 68.8462% (1.00  10.0 10.00   5.16 138.77) =  72.763%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.30 +/- 0.33  44.640% * 30.8659% (0.45  10.0 10.00   4.71 138.77) =  27.235%  kept
          QD2   LEU   40 - HB    ILE  103   8.69 +/- 1.03   0.969% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB    ILE  103  14.63 +/- 2.96   0.238% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.03 +/- 2.45   0.238% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  14.62 +/- 1.99   0.208% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.22 +/- 1.63   0.078% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.86 +/- 2.87   0.161% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.758, support = 4.82, residual support = 138.8:
    * O T QD1   ILE  103 - HB    ILE  103   2.30 +/- 0.33  44.733% * 78.5650% (0.92  10.0 10.00   4.71 138.77) =  75.554%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  53.580% * 21.2220% (0.25  10.0 10.00   5.16 138.77) =  24.445%  kept
          QD2   LEU   71 - HB    ILE  103  14.03 +/- 2.45   0.238% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.86 +/- 2.87   0.161% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  103   8.69 +/- 1.03   0.971% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.63 +/- 2.96   0.238% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.22 +/- 1.63   0.078% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 138.8:
    * O T HA    ILE  103 - QG2   ILE  103   2.63 +/- 0.19  92.975% * 98.6567% (1.00  10.0 10.00   5.58 138.77) =  99.987%  kept
        T HA    THR   39 - QG2   ILE  103  12.23 +/- 1.19   1.126% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASP-  44 - QG2   ILE  103   9.72 +/- 0.96   1.933% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QG2   ILE  103  14.24 +/- 1.89   0.706% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG2   ILE  103  16.45 +/- 3.64   0.590% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   ILE  103  17.03 +/- 2.79   0.541% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  14.71 +/- 4.59   1.015% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.38 +/- 1.71   0.429% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.67 +/- 1.33   0.201% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  25.93 +/- 3.56   0.122% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  24.50 +/- 3.51   0.161% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.35 +/- 2.87   0.201% *  0.0220% (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 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.937, support = 5.15, residual support = 137.7:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.02  52.919% * 79.0753% (1.00  10.0 10.00   5.16 138.77) =  91.376%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.92 +/- 0.33  22.880% * 15.6489% (0.20  10.0 10.00   5.47 138.77) =   7.818%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.84 +/- 0.57   5.849% *  4.0024% (0.99   1.0  1.00   1.02   3.32) =   0.511%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.74 +/- 1.12  16.974% *  0.7893% (0.80   1.0  1.00   0.25   0.02) =   0.293%  kept
          QB    LYS+  33 - QG2   ILE  103  13.28 +/- 1.47   0.257% *  0.0748% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  17.50 +/- 2.97   0.154% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  16.38 +/- 2.48   0.144% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  17.76 +/- 2.04   0.101% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  19.87 +/- 2.37   0.075% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  15.85 +/- 3.43   0.164% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.84 +/- 1.34   0.163% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.51 +/- 1.43   0.232% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  18.07 +/- 1.12   0.089% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.88, residual support = 138.7:
    *   T HA    ILE  103 - QD1   ILE  103   3.36 +/- 0.60  82.251% * 97.6121% (0.92 10.00   4.88 138.77) =  99.913%  kept
          HA    ASP-  86 - QD1   ILE  103  13.26 +/- 5.37   4.265% *  1.0859% (0.26  1.00   0.80   0.02) =   0.058%
        T HA    THR   39 - QD1   ILE  103  12.50 +/- 1.38   1.931% *  0.7088% (0.67 10.00   0.02   0.02) =   0.017%
          HA    ASP-  44 - QD1   ILE  103   9.90 +/- 1.26   4.050% *  0.0923% (0.87  1.00   0.02   0.02) =   0.005%
          HA    SER   85 - QD1   ILE  103  15.23 +/- 4.55   2.114% *  0.0957% (0.90  1.00   0.02   0.02) =   0.003%
          HB    THR   77 - QD1   ILE  103  13.36 +/- 2.39   1.934% *  0.0957% (0.90  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QD1   ILE  103  15.60 +/- 3.02   1.305% *  0.0782% (0.74  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QD1   ILE  103  20.95 +/- 1.74   0.415% *  0.0592% (0.56  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.25 +/- 1.38   0.739% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  25.22 +/- 3.52   0.241% *  0.0901% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  23.94 +/- 3.44   0.317% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.11 +/- 2.71   0.437% *  0.0217% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.786, support = 4.69, residual support = 138.8:
    * O T HB    ILE  103 - QD1   ILE  103   2.30 +/- 0.33  41.767% * 82.9317% (0.92  10.0 10.00   4.71 138.77) =  81.488%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  47.903% * 16.4121% (0.18  10.0 10.00   4.62 138.77) =  18.495%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.27 +/- 1.42   7.395% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.012%
          HB3   ASP- 105 - QD1   ILE  103   7.58 +/- 0.85   1.579% *  0.0822% (0.91   1.0  1.00   0.02   3.32) =   0.003%
          QB    LYS+  33 - QD1   ILE  103  12.61 +/- 1.62   0.322% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD1   ILE  103  15.02 +/- 3.02   0.212% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  17.08 +/- 3.09   0.130% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.21 +/- 2.33   0.101% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.41 +/- 2.40   0.066% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.79 +/- 1.54   0.215% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.00 +/- 1.49   0.129% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.75 +/- 2.80   0.103% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.71 +/- 1.71   0.078% *  0.0341% (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 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 215.4:
    * O T HB2   LEU  104 - HA    LEU  104   2.92 +/- 0.17  95.515% * 99.7433% (0.87  10.0 10.00   5.98 215.45) =  99.996%  kept
          QG2   VAL  108 - HA    LEU  104  10.76 +/- 0.71   2.038% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HA    LEU  104  13.84 +/- 3.14   1.393% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU  104  19.33 +/- 2.15   0.388% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  16.59 +/- 3.14   0.665% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.3, residual support = 215.4:
    * O T HB3   LEU  104 - HA    LEU  104   2.60 +/- 0.22  87.967% * 99.4463% (0.76  10.0 10.00   5.31 215.45) =  99.983%  kept
          QD1   LEU   71 - HA    LEU  104  13.02 +/- 3.38   8.161% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.012%
          QG1   VAL   70 - HA    LEU  104  12.31 +/- 3.22   1.685% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    LEU  104  14.02 +/- 4.28   0.927% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  16.31 +/- 3.68   0.684% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  16.78 +/- 3.69   0.576% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.71, residual support = 215.4:
    * O T HG    LEU  104 - HA    LEU  104   2.92 +/- 0.47  81.980% * 99.5259% (1.00  10.0 10.00   5.71 215.45) =  99.986%  kept
          HB3   LYS+ 121 - HA    LEU  104  11.39 +/- 6.96   7.312% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.009%
          HD2   LYS+ 121 - HA    LEU  104  12.00 +/- 6.89   7.521% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HA    LEU  104  18.40 +/- 2.20   0.501% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  20.72 +/- 2.50   0.305% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  19.74 +/- 3.27   0.406% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  16.15 +/- 3.16   0.696% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  16.60 +/- 3.76   0.996% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.62 +/- 3.52   0.283% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 215.4:
    *   T QD1   LEU  104 - HA    LEU  104   3.60 +/- 0.43  87.391% * 98.8828% (0.96 10.00   5.31 215.45) =  99.964%  kept
        T QD1   LEU   73 - HA    LEU  104  12.85 +/- 2.56   3.334% *  0.4212% (0.41 10.00   0.02   0.02) =   0.016%
        T QD1   LEU   63 - HA    LEU  104  13.21 +/- 2.92   2.848% *  0.4212% (0.41 10.00   0.02   0.02) =   0.014%
          QD2   LEU  115 - HA    LEU  104  13.23 +/- 1.91   2.422% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    LEU  104  15.88 +/- 4.04   1.774% *  0.0889% (0.87  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  104  17.87 +/- 4.11   1.181% *  0.0820% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU  104  16.86 +/- 2.48   1.050% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 5.62, residual support = 208.7:
    *   T QD2   LEU  104 - HA    LEU  104   2.46 +/- 0.57  68.766% * 77.0709% (1.00 10.00   5.75 215.45) =  96.732%  kept
        T QD1   LEU   98 - HA    LEU  104   5.81 +/- 0.80   7.931% * 22.1867% (0.31 10.00   1.87  10.08) =   3.212%  kept
        T QG1   VAL   41 - HA    LEU  104   7.71 +/- 1.90  17.196% *  0.1525% (0.20 10.00   0.02   0.02) =   0.048%
        T QG2   VAL   18 - HA    LEU  104  17.56 +/- 3.36   0.491% *  0.4363% (0.56 10.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HA    LEU  104  15.74 +/- 3.27   1.430% *  0.0744% (0.96  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    LEU  104   9.26 +/- 2.20   3.903% *  0.0263% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    LEU  104  17.12 +/- 2.02   0.282% *  0.0529% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 215.5:
    * O T HA    LEU  104 - HB2   LEU  104   2.92 +/- 0.17  98.724% * 99.7454% (0.87  10.0 10.00   5.98 215.45) =  99.999%  kept
          HA    ASP-  86 - HB2   LEU  104  21.70 +/- 4.68   0.346% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  19.91 +/- 4.45   0.471% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.89 +/- 3.26   0.256% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  26.83 +/- 4.16   0.202% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 215.4:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  85.388% * 99.4463% (0.66  10.0 10.00   5.40 215.45) =  99.978%  kept
          QD1   LEU   71 - HB2   LEU  104  11.50 +/- 3.25  13.061% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.020%
          QG1   VAL   70 - HB2   LEU  104  10.44 +/- 2.91   0.638% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU  104  12.63 +/- 4.39   0.455% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  104  14.66 +/- 3.26   0.240% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  14.49 +/- 3.35   0.217% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 215.4:
    * O T HG    LEU  104 - HB2   LEU  104   2.69 +/- 0.31  75.997% * 99.5259% (0.87  10.0 10.00   5.92 215.45) =  99.978%  kept
          HB3   LYS+ 121 - HB2   LEU  104  10.22 +/- 6.95  13.220% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.017%
          HD2   LYS+ 121 - HB2   LEU  104  10.97 +/- 6.75   7.314% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HB2   LEU  104  18.71 +/- 2.49   0.388% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  14.96 +/- 3.06   0.865% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  17.47 +/- 2.31   0.324% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  17.67 +/- 2.98   0.355% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  15.49 +/- 3.26   1.203% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  19.28 +/- 3.35   0.334% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.4, residual support = 215.4:
    * O T QD1   LEU  104 - HB2   LEU  104   2.51 +/- 0.32  92.575% * 98.8828% (0.84  10.0 10.00   5.40 215.45) =  99.979%  kept
        T QD1   LEU   63 - HB2   LEU  104  11.45 +/- 2.58   2.389% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.011%
        T QD1   LEU   73 - HB2   LEU  104  11.46 +/- 2.45   1.547% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU  115 - HB2   LEU  104  11.77 +/- 2.23   1.434% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  104  15.30 +/- 3.84   0.925% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  104  16.97 +/- 4.05   0.671% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HB2   LEU  104  16.19 +/- 2.14   0.458% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.862, support = 6.03, residual support = 213.7:
    * O T QD2   LEU  104 - HB2   LEU  104   2.71 +/- 0.42  66.296% * 93.2753% (0.87  10.0 10.00   6.05 215.45) =  99.124%  kept
          QD1   LEU   98 - HB2   LEU  104   5.81 +/- 0.81   8.867% *  5.8261% (0.27   1.0  1.00   4.05  10.08) =   0.828%  kept
        T QG1   VAL   41 - HB2   LEU  104   6.65 +/- 1.40  12.547% *  0.1846% (0.17   1.0 10.00   0.02   0.02) =   0.037%
          QG1   VAL   43 - HB2   LEU  104   8.13 +/- 2.26  10.756% *  0.0318% (0.30   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   VAL   18 - HB2   LEU  104  15.84 +/- 2.99   0.417% *  0.5281% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HB2   LEU  104  14.32 +/- 2.51   0.663% *  0.0900% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   LEU  104  15.63 +/- 2.14   0.454% *  0.0641% (0.60   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 215.5:
    * O T HA    LEU  104 - HB3   LEU  104   2.60 +/- 0.22  99.018% * 99.7454% (0.76  10.0 10.00   5.31 215.45) =  99.999%  kept
          HA    ASP-  86 - HB3   LEU  104  22.48 +/- 4.98   0.269% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   LEU  104  20.63 +/- 4.71   0.365% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  23.48 +/- 3.79   0.189% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  27.27 +/- 4.85   0.159% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 215.5:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  98.811% * 99.7433% (0.66  10.0 10.00   5.40 215.45) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.11 +/- 0.73   0.409% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  12.67 +/- 3.40   0.476% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  18.53 +/- 2.10   0.098% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  15.24 +/- 2.99   0.206% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 215.4:
    * O T HG    LEU  104 - HB3   LEU  104   2.74 +/- 0.24  72.666% * 99.5259% (0.76  10.0 10.00   5.23 215.45) =  99.973%  kept
          HB3   LYS+ 121 - HB3   LEU  104  10.30 +/- 7.04  15.738% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.022%
          HD2   LYS+ 121 - HB3   LEU  104  10.94 +/- 6.93   8.072% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  33 - HB3   LEU  104  15.46 +/- 3.77   1.244% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB3   LEU  104  17.98 +/- 2.24   0.305% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.82 +/- 2.97   0.281% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   LEU  104  18.36 +/- 3.27   0.383% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  16.01 +/- 3.99   1.092% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  20.31 +/- 3.51   0.218% *  0.0248% (0.19   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 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 215.4:
    * O T QD1   LEU  104 - HB3   LEU  104   2.30 +/- 0.24  95.055% * 98.8828% (0.74  10.0 10.00   5.00 215.45) =  99.986%  kept
        T QD1   LEU   73 - HB3   LEU  104  12.37 +/- 3.01   1.894% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU   63 - HB3   LEU  104  12.19 +/- 2.60   0.954% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB3   LEU  104  12.26 +/- 2.11   0.820% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU  104  16.06 +/- 4.19   0.566% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  104  17.79 +/- 4.57   0.419% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  16.92 +/- 2.34   0.292% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.762, support = 5.33, residual support = 214.6:
    * O T QD2   LEU  104 - HB3   LEU  104   2.85 +/- 0.41  63.164% * 96.3851% (0.76  10.0 10.00   5.34 215.45) =  99.597%  kept
          QD1   LEU   98 - HB3   LEU  104   6.49 +/- 0.86   7.702% *  2.6864% (0.24   1.0  1.00   1.81  10.08) =   0.338%  kept
        T QG1   VAL   41 - HB3   LEU  104   7.25 +/- 2.00  15.987% *  0.1907% (0.15   1.0 10.00   0.02   0.02) =   0.050%
        T QG2   VAL   18 - HB3   LEU  104  16.48 +/- 3.38   0.696% *  0.5457% (0.43   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - HB3   LEU  104   9.05 +/- 2.41  10.840% *  0.0329% (0.26   1.0  1.00   0.02   0.02) =   0.006%
          QD1   ILE   19 - HB3   LEU  104  14.85 +/- 3.16   1.153% *  0.0930% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB3   LEU  104  16.53 +/- 2.35   0.458% *  0.0662% (0.52   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.71, residual support = 215.5:
    * O T HA    LEU  104 - HG    LEU  104   2.92 +/- 0.47  98.671% * 99.7454% (1.00  10.0 10.00   5.71 215.45) =  99.999%  kept
          HA    ASP-  86 - HG    LEU  104  22.35 +/- 5.13   0.376% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG    LEU  104  20.82 +/- 4.82   0.477% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  23.07 +/- 3.46   0.279% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.69 +/- 4.58   0.196% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 215.4:
    * O T HB2   LEU  104 - HG    LEU  104   2.69 +/- 0.31  96.689% * 99.7433% (0.87  10.0 10.00   5.92 215.45) =  99.997%  kept
          QG2   VAL  108 - HG    LEU  104  12.07 +/- 0.70   1.214% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HG    LEU  104  13.73 +/- 3.48   1.199% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HG    LEU  104  19.89 +/- 2.19   0.281% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  15.85 +/- 3.15   0.617% *  0.0201% (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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 215.4:
    * O T HB3   LEU  104 - HG    LEU  104   2.74 +/- 0.24  78.394% * 99.4463% (0.76  10.0 10.00   5.23 215.45) =  99.965%  kept
          QD1   LEU   71 - HG    LEU  104  11.62 +/- 3.41  17.119% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.028%
          QG1   VAL   70 - HG    LEU  104  11.16 +/- 3.20   1.965% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HG    LEU  104  13.78 +/- 4.69   1.154% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  15.39 +/- 3.52   0.805% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  104  15.98 +/- 3.63   0.563% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 215.4:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  96.707% * 98.8828% (0.97  10.0 10.00   5.23 215.45) =  99.991%  kept
        T QD1   LEU   73 - HG    LEU  104  12.12 +/- 2.81   1.179% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   63 - HG    LEU  104  12.70 +/- 2.82   0.701% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG    LEU  104  15.87 +/- 3.99   0.412% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.46 +/- 2.11   0.467% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.51 +/- 4.34   0.338% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  17.35 +/- 2.23   0.196% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 5.7, residual support = 214.2:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.02  75.911% * 94.2105% (1.00  10.0 10.00   5.72 215.45) =  99.412%  kept
          QD1   LEU   98 - HG    LEU  104   5.87 +/- 1.31   8.161% *  4.8819% (0.31   1.0  1.00   3.36  10.08) =   0.554%  kept
        T QG1   VAL   41 - HG    LEU  104   6.54 +/- 1.88  11.477% *  0.1864% (0.20   1.0 10.00   0.02   0.02) =   0.030%
        T QG2   VAL   18 - HG    LEU  104  16.61 +/- 3.13   0.220% *  0.5334% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HG    LEU  104   8.99 +/- 2.38   3.610% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HG    LEU  104  14.55 +/- 3.10   0.445% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU  104  17.00 +/- 2.33   0.175% *  0.0647% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 215.4:
    *   T HA    LEU  104 - QD1   LEU  104   3.60 +/- 0.43  80.459% * 99.2875% (0.96 10.00   5.31 215.45) =  99.983%  kept
        T HA    LEU  104 - QD1   LEU   73  12.85 +/- 2.56   3.071% *  0.1829% (0.18 10.00   0.02   0.02) =   0.007%
        T HA    LEU  104 - QD1   LEU   63  13.21 +/- 2.92   2.623% *  0.1829% (0.18 10.00   0.02   0.02) =   0.006%
          HA    GLU-  14 - QD1   LEU  104  18.70 +/- 2.94   0.843% *  0.0760% (0.74  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  19.40 +/- 3.98   0.740% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU  104  18.13 +/- 3.64   0.892% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  21.75 +/- 3.99   0.606% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  14.13 +/- 3.86   2.241% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  16.11 +/- 3.46   1.584% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  15.66 +/- 3.60   1.430% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.17 +/- 3.70   1.222% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  15.46 +/- 3.85   1.539% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  17.20 +/- 3.17   1.051% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  19.75 +/- 3.72   0.698% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  18.20 +/- 3.89   0.999% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.775, support = 5.29, residual support = 211.2:
    * O T HB2   LEU  104 - QD1   LEU  104   2.51 +/- 0.32  30.481% * 89.9643% (0.84  10.0 10.00   5.40 215.45) =  92.070%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.01  47.279% *  3.3453% (0.03  10.0 10.00   5.58 241.45) =   5.310%  kept
        T QD1   ILE  119 - QD1   LEU   63   4.98 +/- 1.89  14.745% *  5.2370% (0.10   1.0 10.00   0.97   0.11) =   2.593%  kept
        T QD1   ILE  119 - QD1   LEU  104  11.05 +/- 3.05   0.640% *  0.5872% (0.55   1.0 10.00   0.02   0.02) =   0.013%
        T QD1   ILE  119 - QD1   LEU   73  11.78 +/- 3.34   1.038% *  0.1081% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  104 - QD1   LEU   63  11.45 +/- 2.58   0.490% *  0.1657% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QD1   LEU   73  11.46 +/- 2.45   0.412% *  0.1657% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU  104  12.78 +/- 2.35   0.268% *  0.1816% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD1   LEU  104  10.56 +/- 0.64   0.388% *  0.1001% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  11.30 +/- 2.27   0.658% *  0.0335% (0.03   1.0 10.00   0.02   0.14) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  15.63 +/- 5.69   1.584% *  0.0100% (0.09   1.0  1.00   0.02   0.11) =   0.001%
          QG2   VAL  108 - QD1   LEU   63  11.29 +/- 3.12   0.653% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  11.68 +/- 2.68   0.521% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.36 +/- 1.85   0.734% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.50 +/- 1.85   0.109% *  0.0546% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.686, support = 5.05, residual support = 217.0:
    * O T HB3   LEU  104 - QD1   LEU  104   2.30 +/- 0.24  37.391% * 85.8505% (0.74  10.0 10.00   5.00 215.45) =  92.259%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.51 +/- 0.30  30.921% *  8.5059% (0.07  10.0 10.00   5.84 241.45) =   7.559%  kept
          QG1   VAL   18 - QD1   LEU   73   7.64 +/- 3.99   2.513% *  1.3217% (0.16   1.0  1.00   1.42   0.68) =   0.095%
        T HB3   LEU   63 - QD1   LEU   73  10.72 +/- 1.87   0.564% *  2.9714% (0.07   1.0 10.00   0.70   0.14) =   0.048%
          QD1   LEU   71 - QD1   LEU  104   9.42 +/- 2.53   2.764% *  0.1113% (0.96   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   70 - QD1   LEU   63   4.79 +/- 1.58  13.127% *  0.0200% (0.17   1.0  1.00   0.02   0.02) =   0.008%
        T HB3   LEU   63 - QD1   LEU  104  12.88 +/- 2.81   0.323% *  0.4618% (0.40   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QD1   LEU  104   8.91 +/- 2.41   1.041% *  0.1084% (0.93   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU  104 - QD1   LEU   73  12.37 +/- 3.01   0.625% *  0.1581% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD1   LEU  104  10.97 +/- 4.10   0.865% *  0.1113% (0.96   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU  104 - QD1   LEU   63  12.19 +/- 2.60   0.366% *  0.1581% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU  104  12.49 +/- 2.94   0.560% *  0.1007% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   7.37 +/- 2.01   2.366% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   8.29 +/- 2.88   2.470% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   73   8.19 +/- 1.58   1.991% *  0.0205% (0.18   1.0  1.00   0.02   1.64) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.25 +/- 1.60   0.887% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   8.79 +/- 0.81   0.744% *  0.0200% (0.17   1.0  1.00   0.02   0.73) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.59 +/- 2.67   0.481% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 215.1:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  57.034% * 98.2876% (0.97  10.0 10.00   5.23 215.45) =  99.839%  kept
          HB3   LYS+ 121 - QD1   LEU  104   9.44 +/- 6.02  10.471% *  0.8080% (0.97   1.0  1.00   0.16   0.02) =   0.151%  kept
        T HG    LEU  104 - QD1   LEU   73  12.12 +/- 2.81   0.708% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   63  12.70 +/- 2.82   0.421% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD1   LEU  104  10.17 +/- 5.78   2.386% *  0.0303% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   73   6.30 +/- 3.48  10.771% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU   63   7.07 +/- 1.29   2.435% *  0.0124% (0.12   1.0  1.00   0.02   7.35) =   0.001%
          HG2   LYS+  33 - QD1   LEU  104  11.92 +/- 3.35   0.806% *  0.0369% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU  104  12.83 +/- 3.58   1.271% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   9.47 +/- 2.21   1.319% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63  10.13 +/- 3.10   1.272% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.39 +/- 2.81   0.239% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   8.25 +/- 0.97   1.264% *  0.0175% (0.17   1.0  1.00   0.02  41.66) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  16.84 +/- 5.09   0.970% *  0.0177% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  15.08 +/- 2.51   0.207% *  0.0675% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.34 +/- 1.95   0.138% *  0.0963% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   8.98 +/- 3.62   1.848% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  12.33 +/- 2.79   0.624% *  0.0177% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.35 +/- 2.95   1.699% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   7.92 +/- 0.95   1.272% *  0.0045% (0.04   1.0  1.00   0.02   3.40) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63  10.34 +/- 3.06   0.956% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.01 +/- 3.49   0.289% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.80 +/- 3.12   0.160% *  0.0245% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  13.08 +/- 1.53   0.312% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  11.25 +/- 1.70   0.565% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.56 +/- 3.64   0.331% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.89 +/- 2.28   0.233% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 214.4:
    * O T QD2   LEU  104 - QD1   LEU  104   2.04 +/- 0.06  46.425% * 92.0099% (0.97  10.0 10.00   5.45 215.45) =  99.492%  kept
          QD1   LEU   98 - QD1   LEU  104   5.77 +/- 0.88   2.576% *  6.1320% (0.30   1.0  1.00   4.32  10.08) =   0.368%  kept
          QG1   VAL   43 - QD1   LEU   73   5.02 +/- 1.56  11.216% *  0.3016% (0.06   1.0  1.00   1.04   6.16) =   0.079%
        T QG1   VAL   41 - QD1   LEU  104   5.54 +/- 1.46   7.346% *  0.1821% (0.19   1.0 10.00   0.02   0.02) =   0.031%
          QG1   VAL   43 - QD1   LEU  104   7.76 +/- 2.40  12.802% *  0.0314% (0.33   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   VAL   18 - QD1   LEU   63   8.51 +/- 2.59   1.458% *  0.0959% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   18 - QD1   LEU   73   8.44 +/- 3.32   1.436% *  0.0959% (0.10   1.0 10.00   0.02   0.68) =   0.003%
        T QD2   LEU  104 - QD1   LEU   73  10.08 +/- 2.56   0.784% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   18 - QD1   LEU  104  13.45 +/- 2.75   0.237% *  0.5209% (0.55   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   41 - QD1   LEU   73   6.61 +/- 1.56   2.969% *  0.0335% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T QD2   LEU  104 - QD1   LEU   63  10.86 +/- 2.12   0.445% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QD1   LEU   73   7.36 +/- 3.07   2.505% *  0.0164% (0.17   1.0  1.00   0.02   5.22) =   0.001%
          QD1   ILE   19 - QD1   LEU  104  11.83 +/- 2.68   0.418% *  0.0888% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD1   LEU   63   8.19 +/- 2.79   3.061% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   63   9.05 +/- 1.49   0.663% *  0.0335% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD1   LEU   73   8.25 +/- 1.55   1.292% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.16 +/- 2.30   0.170% *  0.0632% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.18 +/- 2.41   1.644% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.54 +/- 2.04   0.537% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   7.96 +/- 1.44   1.223% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  10.47 +/- 2.62   0.795% *  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 = 5.75, residual support = 215.4:
    *   T HA    LEU  104 - QD2   LEU  104   2.46 +/- 0.57  73.524% * 99.4871% (1.00 10.00   5.75 215.45) =  99.984%  kept
        T HA    LEU  104 - QG1   VAL   41   7.71 +/- 1.90  18.407% *  0.0534% (0.05 10.00   0.02   0.02) =   0.013%
        T HA    LEU  104 - QG2   VAL   18  17.56 +/- 3.36   0.538% *  0.1529% (0.15 10.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QG2   VAL   18   8.73 +/- 1.22   2.468% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  18.55 +/- 4.61   0.405% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  17.38 +/- 4.27   0.473% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  19.28 +/- 2.86   0.258% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  22.27 +/- 3.97   0.247% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  13.13 +/- 1.95   1.579% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.48 +/- 3.10   0.682% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  22.69 +/- 5.82   0.152% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  18.04 +/- 4.13   0.357% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.40 +/- 2.68   0.333% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  22.27 +/- 5.41   0.164% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  17.51 +/- 4.09   0.411% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.05, residual support = 215.4:
    * O T HB2   LEU  104 - QD2   LEU  104   2.71 +/- 0.42  72.684% * 99.4846% (0.87  10.0 10.00   6.05 215.45) =  99.984%  kept
        T HB2   LEU  104 - QG1   VAL   41   6.65 +/- 1.40  13.575% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.010%
          QG2   VAL  108 - QD2   LEU  104  10.29 +/- 0.62   1.499% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - QD2   LEU  104  11.85 +/- 2.64   1.479% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  104 - QG2   VAL   18  15.84 +/- 2.99   0.458% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD2   LEU  104  17.00 +/- 1.68   0.392% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  13.54 +/- 2.25   0.760% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18  11.25 +/- 2.53   1.422% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  16.27 +/- 3.03   0.536% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   9.96 +/- 2.99   2.525% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.96 +/- 1.08   1.094% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  17.50 +/- 3.69   0.470% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  11.65 +/- 1.19   1.210% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.15 +/- 1.68   1.510% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  17.46 +/- 2.21   0.384% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.578, support = 4.94, residual support = 174.3:
    * O T HB3   LEU  104 - QD2   LEU  104   2.85 +/- 0.41  19.018% * 83.2929% (0.76  10.0 10.00   5.34 215.45) =  70.337%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.02 +/- 0.05  44.362% * 15.0197% (0.14  10.0 10.00   4.00  76.76) =  29.585%  kept
          QD1   LEU   71 - QG1   VAL   41   5.36 +/- 1.73  10.265% *  0.0485% (0.05   1.0  1.00   0.17   2.81) =   0.022%
        T HB3   LEU  104 - QG1   VAL   41   7.25 +/- 2.00   7.685% *  0.0447% (0.04   1.0 10.00   0.02   0.02) =   0.015%
        T QG1   VAL   18 - QD2   LEU  104  12.96 +/- 2.85   0.335% *  0.9775% (0.90   1.0 10.00   0.02   0.02) =   0.015%
          QD1   LEU   71 - QD2   LEU  104   9.88 +/- 2.60   2.703% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.013%
          QG1   VAL   70 - QD2   LEU  104   9.63 +/- 2.41   0.608% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QG1   VAL   41   6.57 +/- 1.67   7.947% *  0.0056% (0.05   1.0  1.00   0.02   2.63) =   0.002%
          QD1   LEU  123 - QD2   LEU  104  11.89 +/- 3.67   0.382% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QG1   VAL   41   9.63 +/- 3.63   0.757% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - QG2   VAL   18   8.64 +/- 3.39   1.749% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  12.08 +/- 2.94   1.418% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG2   VAL   18  16.48 +/- 3.38   0.147% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   9.91 +/- 4.25   0.833% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  104  13.72 +/- 2.82   0.212% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   9.54 +/- 3.63   0.974% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.11 +/- 2.05   0.261% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.02 +/- 2.13   0.345% *  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 = 5.71, residual support = 215.4:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.02  53.546% * 99.1844% (1.00  10.0 10.00   5.72 215.45) =  99.974%  kept
          HG2   LYS+  65 - QG2   VAL   18   8.30 +/- 5.05  14.600% *  0.0349% (0.04   1.0  1.00   0.18   0.02) =   0.010%
        T HG    LEU  104 - QG1   VAL   41   6.54 +/- 1.88   7.414% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LYS+ 121 - QD2   LEU  104  10.28 +/- 5.75   1.955% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - QG2   VAL   18   8.39 +/- 6.15   4.776% *  0.0147% (0.15   1.0  1.00   0.02   1.21) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  104  10.86 +/- 5.52   1.294% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - QD2   LEU  104  11.97 +/- 3.07   0.655% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  16.61 +/- 3.13   0.155% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.80 +/- 3.70   1.761% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.10 +/- 2.46   1.911% *  0.0094% (0.01   1.0  1.00   0.18   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   7.73 +/- 2.44   5.459% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  16.64 +/- 2.67   0.151% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  12.93 +/- 3.24   0.722% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  16.66 +/- 1.90   0.123% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  16.02 +/- 2.38   0.147% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.87 +/- 3.69   0.566% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.48 +/- 1.60   1.761% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  11.94 +/- 2.39   0.566% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.54 +/- 2.97   0.131% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.16 +/- 3.50   0.504% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  19.38 +/- 3.97   0.129% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.46 +/- 1.66   0.353% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  16.30 +/- 3.59   0.320% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.12 +/- 1.76   0.300% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  12.86 +/- 2.98   0.376% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  18.06 +/- 2.01   0.101% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  13.91 +/- 1.75   0.225% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 215.4:
    * O T QD1   LEU  104 - QD2   LEU  104   2.04 +/- 0.06  70.567% * 98.4528% (0.97  10.0 10.00   5.45 215.45) =  99.969%  kept
        T QD1   LEU   73 - QD2   LEU  104  10.08 +/- 2.56   1.446% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU  104 - QG1   VAL   41   5.54 +/- 1.46  10.992% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU   63 - QD2   LEU  104  10.86 +/- 2.12   0.737% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   63 - QG2   VAL   18   8.51 +/- 2.59   2.120% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QG2   VAL   18   8.44 +/- 3.32   2.115% *  0.0644% (0.06   1.0 10.00   0.02   0.68) =   0.002%
        T QD1   LEU   73 - QG1   VAL   41   6.61 +/- 1.56   4.407% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - QG2   VAL   18  13.45 +/- 2.75   0.444% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU  104  13.19 +/- 3.80   0.657% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD2   LEU  104  14.54 +/- 3.98   0.478% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  11.61 +/- 1.72   0.498% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QG1   VAL   41   9.05 +/- 1.49   0.988% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  12.38 +/- 2.91   0.747% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  13.47 +/- 5.69   0.514% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  14.54 +/- 2.16   0.234% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  14.83 +/- 5.46   0.340% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  11.97 +/- 3.27   0.842% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  11.65 +/- 3.21   0.692% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  11.82 +/- 1.75   0.656% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  15.60 +/- 4.26   0.252% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  13.81 +/- 2.30   0.275% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (0.73, 0.73, 22.45 ppm):
    3 diagonal assignments:
    *     QD2   LEU  104 - QD2   LEU  104  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.09)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.01)  kept
 
    Peak 1302 (4.80, 4.80, 54.18 ppm):
    1 diagonal assignment:
    *     HA    ASP- 105 - HA    ASP- 105  (1.00)  kept
 
    Peak 1303 (2.23, 4.80, 54.18 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.16, residual support = 41.9:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.82 +/- 0.13  89.916% * 99.5527% (0.95  10.0 10.00   3.16  41.88) =  99.994%  kept
          HB2   MET   96 - HA    ASP- 105   8.54 +/- 0.99   4.131% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HA    ASP- 105  13.50 +/- 1.19   0.929% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    ASP- 105  15.30 +/- 3.59   1.848% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  12.65 +/- 3.80   1.915% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  20.90 +/- 2.19   0.264% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.89 +/- 1.63   0.398% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  21.39 +/- 3.19   0.287% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  21.47 +/- 4.04   0.311% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.16, residual support = 41.9:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.82 +/- 0.13  98.374% * 99.7814% (0.95  10.0 10.00   3.16  41.88) =  99.999%  kept
          HB    THR   23 - HB2   ASP- 105  23.33 +/- 4.55   0.610% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - HB2   ASP- 105  21.95 +/- 3.73   0.302% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  22.47 +/- 4.16   0.472% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  21.85 +/- 2.05   0.242% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 0.997, support = 6.27, residual support = 132.7:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.32 +/- 0.15  85.760% * 81.7698% (1.00  10.0 10.00   6.30 135.02) =  97.882%  kept
          HB3   ASP- 105 - HA    LYS+ 106   5.14 +/- 0.28   8.596% * 17.6138% (0.87   1.0  1.00   4.97  23.72) =   2.113%  kept
          HB    ILE  103 - HA    LYS+ 106   7.35 +/- 0.92   3.025% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HA    LYS+ 106  13.58 +/- 1.56   0.460% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.95 +/- 1.54   0.215% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  19.09 +/- 2.28   0.181% *  0.0816% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  19.36 +/- 3.50   0.219% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  19.05 +/- 1.54   0.169% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.40 +/- 1.89   0.220% *  0.0496% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  13.65 +/- 1.07   0.468% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  20.05 +/- 2.27   0.152% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.67 +/- 1.73   0.262% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  17.13 +/- 3.24   0.272% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 135.0:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.41 +/- 0.49  94.173% * 98.2431% (1.00  10.0 10.00   5.10 135.02) =  99.986%  kept
        T QG    LYS+  81 - HA    LYS+ 106  19.25 +/- 2.48   0.748% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  33 - HA    LYS+ 106  19.05 +/- 1.79   0.682% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HA    LYS+ 106  11.91 +/- 2.10   3.518% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  17.34 +/- 1.72   0.879% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 134.9:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.81 +/- 0.40  75.826% * 98.5750% (1.00 10.00   4.80 135.02) =  99.942%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.24 +/- 1.29   3.354% *  0.9836% (1.00 10.00   0.02   0.02) =   0.044%
          HB2   LEU   73 - HA    LYS+ 106  14.89 +/- 2.68   2.142% *  0.0932% (0.95  1.00   0.02   0.02) =   0.003%
          HB3   MET   92 - HA    LYS+ 106  12.75 +/- 0.93   2.181% *  0.0823% (0.84  1.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106  11.29 +/- 1.67   3.621% *  0.0480% (0.49  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HA    LYS+ 106  13.84 +/- 1.59   2.091% *  0.0716% (0.73  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  10.94 +/- 0.80   3.476% *  0.0370% (0.38  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+ 106  10.99 +/- 1.11   3.920% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 106  13.48 +/- 1.31   1.986% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  16.12 +/- 3.64   1.404% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.968, support = 5.11, residual support = 120.4:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.31 +/- 0.35  50.983% * 86.6270% (1.00 10.00   5.23 135.02) =  88.165%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.66 +/- 1.16  44.824% * 13.2198% (0.73  1.00   4.20  11.34) =  11.829%  kept
          HB3   PHE   60 - HA    LYS+ 106  14.04 +/- 2.32   2.488% *  0.0819% (0.95  1.00   0.02   0.02) =   0.004%
          HB3   TRP   27 - HA    LYS+ 106  16.82 +/- 2.23   1.081% *  0.0595% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    LYS+ 106  19.29 +/- 2.27   0.625% *  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 = 6.3, residual support = 135.0:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.32 +/- 0.15 100.000% *100.0000% (1.00  10.0 10.00   6.30 135.02) = 100.000%  kept
    Distance limit 3.49 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 = 5.38, residual support = 135.0:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.30 +/- 0.13  97.964% * 98.2431% (1.00  10.0 10.00   5.38 135.02) =  99.995%  kept
        T QG    LYS+  81 - QB    LYS+ 106  17.22 +/- 2.40   0.308% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - QB    LYS+ 106  18.08 +/- 1.71   0.234% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QB    LYS+ 106  11.09 +/- 1.96   1.213% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  16.71 +/- 1.37   0.281% *  0.0172% (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 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 135.0:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.22 +/- 0.16  92.741% * 97.1433% (1.00  10.0 10.00   5.07 135.02) =  99.974%  kept
        T QD    LYS+  99 - QB    LYS+ 106  11.05 +/- 1.68   1.124% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.012%
        T HD2   LYS+ 111 - QB    LYS+ 106  12.57 +/- 1.48   0.766% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   ILE   56 - QB    LYS+ 106  11.32 +/- 1.44   0.835% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  123 - QB    LYS+ 106  16.02 +/- 3.17   0.327% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QB    LYS+ 106  11.33 +/- 1.18   0.811% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  14.46 +/- 2.42   0.475% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106   9.71 +/- 1.45   1.418% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.79 +/- 1.14   0.928% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  12.56 +/- 1.14   0.574% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.948, support = 4.89, residual support = 111.8:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.92 +/- 0.66  73.965% * 57.8731% (1.00 10.00   5.50 135.02) =  81.189%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.83 +/- 1.31  23.597% * 42.0245% (0.73 10.00   2.22  11.34) =  18.809%  kept
          HB3   PHE   60 - QB    LYS+ 106  14.17 +/- 2.02   1.149% *  0.0547% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QB    LYS+ 106  15.99 +/- 2.36   0.828% *  0.0398% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+ 106  18.08 +/- 2.41   0.460% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 135.0:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.41 +/- 0.49  98.504% * 99.1803% (1.00  10.0 10.00   5.10 135.02) =  99.994%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.05 +/- 1.79   0.713% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 106 - QG    LYS+  81  19.25 +/- 2.48   0.783% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.744, support = 5.47, residual support = 137.0:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.30 +/- 0.13  26.697% * 48.8514% (1.00  10.0 10.00   5.38 135.02) =  52.227%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.07  28.491% * 28.0262% (0.57  10.0 10.00   5.63 154.86) =  31.976%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  35.385% * 10.7248% (0.22  10.0 10.00   5.43 110.62) =  15.197%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.45 +/- 0.81   1.455% * 10.1128% (0.87   1.0  1.00   4.77  23.72) =   0.589%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.75 +/- 1.40   2.240% *  0.0391% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   GLN   30 - HG2   LYS+  33   5.19 +/- 0.76   2.757% *  0.0122% (0.25   1.0  1.00   0.02   0.52) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  18.18 +/- 1.72   0.059% *  0.4621% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+ 106  19.77 +/- 2.93   0.054% *  0.4874% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  18.08 +/- 1.71   0.062% *  0.2963% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  22.20 +/- 4.58   0.040% *  0.2956% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  17.22 +/- 2.40   0.079% *  0.1075% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.93 +/- 2.12   0.727% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  21.22 +/- 4.38   0.046% *  0.1017% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.57 +/- 1.31   0.243% *  0.0180% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  16.51 +/- 1.52   0.076% *  0.0373% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  17.60 +/- 3.34   0.102% *  0.0257% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.70 +/- 2.72   0.074% *  0.0296% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  20.07 +/- 2.30   0.045% *  0.0479% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  18.37 +/- 3.24   0.083% *  0.0226% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  16.67 +/- 1.89   0.079% *  0.0237% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.68 +/- 4.09   0.050% *  0.0373% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.17 +/- 1.76   0.104% *  0.0136% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.37 +/- 2.34   0.070% *  0.0201% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.90 +/- 2.22   0.030% *  0.0408% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.61 +/- 4.21   0.045% *  0.0226% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.18 +/- 4.96   0.181% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.25 +/- 2.43   0.250% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.20 +/- 3.09   0.078% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.80 +/- 4.50   0.024% *  0.0247% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  19.45 +/- 3.18   0.056% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.38 +/- 3.51   0.054% *  0.0086% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.21 +/- 2.91   0.014% *  0.0290% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.00 +/- 3.21   0.053% *  0.0075% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  22.39 +/- 2.88   0.035% *  0.0093% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.14 +/- 5.14   0.071% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  24.24 +/- 2.96   0.028% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.58 +/- 2.09   0.018% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.30 +/- 2.38   0.018% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.23 +/- 3.26   0.031% *  0.0017% (0.03   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 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 135.0:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.34 +/- 0.13  85.041% * 96.6493% (1.00  10.0 10.00   4.17 135.02) =  99.963%  kept
        T QD    LYS+  99 - HG2   LYS+  33  12.04 +/- 3.46   2.109% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+  99 - HG2   LYS+ 106  11.57 +/- 2.02   1.275% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+ 106 - HG2   LYS+  33  17.91 +/- 2.17   0.235% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HG2   LYS+  33  11.64 +/- 4.09   1.859% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QG    LYS+  81  17.33 +/- 2.81   0.271% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HG2   LYS+ 106  10.97 +/- 1.71   1.203% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 106   9.48 +/- 1.68   1.590% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  14.41 +/- 1.49   0.416% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  16.39 +/- 2.15   0.294% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.78 +/- 2.38   0.105% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  15.91 +/- 1.72   0.316% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  14.01 +/- 1.70   0.454% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  13.48 +/- 3.01   0.935% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  12.81 +/- 2.22   0.731% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  15.78 +/- 1.43   0.306% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  18.27 +/- 3.92   0.231% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  20.72 +/- 3.52   0.317% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  14.79 +/- 2.76   0.536% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.42 +/- 1.55   0.330% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  23.33 +/- 4.44   0.134% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  14.73 +/- 1.56   0.387% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.13 +/- 1.95   0.067% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  17.08 +/- 2.70   0.280% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.14 +/- 3.53   0.050% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.39 +/- 3.54   0.122% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.85 +/- 2.25   0.070% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  21.01 +/- 4.07   0.177% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  24.26 +/- 3.23   0.094% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  28.09 +/- 3.26   0.065% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.996, support = 4.55, residual support = 133.2:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.61 +/- 0.41  74.420% * 92.1016% (1.00  10.0 10.00   4.59 135.02) =  98.495%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.23 +/- 1.46  15.357% *  6.7844% (0.73   1.0  1.00   2.03  11.34) =   1.497%  kept
        T QE    LYS+ 106 - HG2   LYS+  33  17.88 +/- 2.16   0.361% *  0.5586% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HB3   TRP   27 - HG2   LYS+  33   9.37 +/- 1.04   2.258% *  0.0384% (0.42   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 106 - QG    LYS+  81  17.94 +/- 3.12   0.354% *  0.2026% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HG2   LYS+  33  19.89 +/- 4.16   1.047% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HG2   LYS+ 106  16.92 +/- 2.27   0.369% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  17.68 +/- 3.13   0.391% *  0.0633% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   8.42 +/- 0.59   2.921% *  0.0076% (0.08   1.0  1.00   0.02   4.66) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.18 +/- 2.26   0.518% *  0.0406% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  15.77 +/- 6.41   1.072% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  18.43 +/- 3.76   0.315% *  0.0192% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  21.00 +/- 2.52   0.246% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.11 +/- 3.08   0.253% *  0.0125% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.83 +/- 4.22   0.115% *  0.0027% (0.03   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 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.0:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.81 +/- 0.40  95.763% * 99.1942% (0.99 10.00   4.80 135.02) =  99.964%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.24 +/- 1.29   4.237% *  0.8058% (0.81 10.00   0.02   0.02) =   0.036%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.99, support = 5.06, residual support = 134.2:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.22 +/- 0.16  69.991% * 82.7821% (0.99  10.0 10.00   5.07 135.02) =  99.273%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.82 +/- 0.69   2.808% * 14.3243% (0.86   1.0  1.00   3.99  23.72) =   0.689%  kept
          HB    ILE  103 - QD    LYS+ 106   5.72 +/- 1.53   8.943% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.010%
        T QB    LYS+ 106 - QD    LYS+  99  11.05 +/- 1.68   0.853% *  0.6725% (0.81   1.0 10.00   0.02   0.02) =   0.010%
          HB3   LYS+  38 - QD    LYS+  99   6.97 +/- 1.84   5.208% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.004%
        T HB    ILE   56 - QD    LYS+ 106  14.71 +/- 1.61   0.285% *  0.6326% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - QD    LYS+  99  11.03 +/- 3.02   2.812% *  0.0636% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - QD    LYS+  99   8.40 +/- 1.55   2.384% *  0.0583% (0.70   1.0  1.00   0.02   0.57) =   0.002%
        T HB    ILE   56 - QD    LYS+  99  18.79 +/- 3.01   0.179% *  0.5139% (0.62   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - QD    LYS+  99  12.37 +/- 3.20   1.942% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD    LYS+  99   9.81 +/- 0.99   0.937% *  0.0538% (0.64   1.0  1.00   0.02   0.12) =   0.001%
          HG3   PRO   68 - QD    LYS+  99  14.59 +/- 3.82   0.743% *  0.0514% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+ 106  17.10 +/- 2.78   0.210% *  0.0826% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  17.11 +/- 2.42   0.199% *  0.0811% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  16.71 +/- 1.99   0.191% *  0.0783% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  17.69 +/- 2.78   0.291% *  0.0502% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.84 +/- 1.85   0.489% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  20.16 +/- 3.77   0.150% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  15.84 +/- 2.39   0.241% *  0.0340% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  20.28 +/- 1.77   0.107% *  0.0691% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.37 +/- 2.36   0.086% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  19.04 +/- 4.85   0.549% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  23.86 +/- 4.07   0.097% *  0.0562% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  25.92 +/- 1.54   0.047% *  0.0659% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.08 +/- 2.94   0.182% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  21.86 +/- 1.21   0.077% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.17, residual support = 135.0:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.34 +/- 0.13  94.012% * 96.1045% (0.99  10.0 10.00   4.17 135.02) =  99.966%  kept
        T HG2   LYS+  33 - QD    LYS+  99  12.04 +/- 3.46   2.331% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   LYS+ 106 - QD    LYS+  99  11.57 +/- 2.02   1.410% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.012%
        T QG    LYS+  81 - QD    LYS+ 106  17.33 +/- 2.81   0.300% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - QD    LYS+ 106  17.91 +/- 2.17   0.260% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QD    LYS+  99  22.78 +/- 2.38   0.116% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD    LYS+ 106  12.47 +/- 2.29   0.845% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  17.53 +/- 2.22   0.310% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.26 +/- 2.26   0.233% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.48 +/- 2.07   0.182% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 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 = 3.38, residual support = 134.6:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.10 +/- 0.03  86.603% * 93.1630% (0.99  10.0 10.00   3.38 135.02) =  99.676%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.74 +/- 1.12   4.289% *  5.7267% (0.72   1.0  1.00   1.69  11.34) =   0.303%  kept
        T QE    LYS+ 106 - QD    LYS+  99  11.01 +/- 1.94   1.833% *  0.7568% (0.81   1.0 10.00   0.02   0.02) =   0.017%
          HB2   PHE   97 - QD    LYS+  99   7.43 +/- 1.32   2.800% *  0.0550% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    LYS+  99  15.13 +/- 3.14   0.869% *  0.0520% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    LYS+  99  16.25 +/- 3.72   0.560% *  0.0716% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  15.31 +/- 2.32   0.287% *  0.0881% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99   9.69 +/- 2.43   2.300% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.88 +/- 2.83   0.247% *  0.0640% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  17.75 +/- 3.25   0.213% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.23, residual support = 135.0:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.31 +/- 0.35 100.000% *100.0000% (1.00 10.00   5.23 135.02) = 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 = 0.979, support = 5.23, residual support = 118.0:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.92 +/- 0.66  63.115% * 53.2437% (1.00 10.00   5.50 135.02) =  84.729%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.49 +/- 1.11  13.028% * 46.1851% (0.87 10.00   3.75  23.72) =  15.171%  kept
          HB    ILE  103 - QE    LYS+ 106   5.22 +/- 1.26  17.841% *  0.2125% (0.80  1.00   0.10   0.02) =   0.096%
          HB3   LYS+  38 - QE    LYS+ 106  17.43 +/- 2.73   1.220% *  0.0323% (0.61  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QE    LYS+ 106  16.66 +/- 1.93   0.584% *  0.0504% (0.95  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  15.41 +/- 1.82   0.703% *  0.0407% (0.76  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+ 106  17.66 +/- 3.00   0.470% *  0.0531% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QE    LYS+ 106  17.96 +/- 2.67   0.348% *  0.0522% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  15.97 +/- 2.65   0.700% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  13.83 +/- 1.98   0.833% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  20.61 +/- 3.48   0.301% *  0.0407% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  21.03 +/- 1.94   0.243% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.59 +/- 3.54   0.615% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 135.0:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.61 +/- 0.41  97.266% * 98.2431% (1.00  10.0 10.00   4.59 135.02) =  99.991%  kept
        T QG    LYS+  81 - QE    LYS+ 106  17.94 +/- 3.12   0.483% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  33 - QE    LYS+ 106  17.88 +/- 2.16   0.480% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - QE    LYS+ 106  13.19 +/- 2.60   1.392% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  18.22 +/- 2.10   0.379% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 135.0:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.10 +/- 0.03  91.976% * 98.5861% (0.99  10.0 10.00   3.38 135.02) =  99.976%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.01 +/- 1.94   1.956% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.021%
          HB3   LYS+  99 - QE    LYS+ 106  10.51 +/- 1.81   1.999% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QE    LYS+ 106   8.27 +/- 1.33   1.915% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  13.23 +/- 1.85   0.469% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  13.13 +/- 1.73   0.444% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  15.34 +/- 1.95   0.276% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  14.67 +/- 2.02   0.343% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  14.64 +/- 1.73   0.341% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  17.12 +/- 4.26   0.282% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.1:
    * O T HB    VAL  107 - HA    VAL  107   2.87 +/- 0.24  88.967% * 99.6302% (0.73  10.0 10.00   3.31  60.07) =  99.995%  kept
          QE    LYS+ 112 - HA    VAL  107  10.36 +/- 2.44   5.966% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   45 - HA    VAL  107  11.73 +/- 1.49   1.569% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    VAL  107  19.36 +/- 2.76   0.556% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    VAL  107  10.29 +/- 1.46   2.382% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  21.67 +/- 1.46   0.219% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  18.80 +/- 0.99   0.341% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.1:
    * O T HA    VAL  107 - HB    VAL  107   2.87 +/- 0.24  90.653% * 99.7511% (0.73  10.0 10.00   3.31  60.07) =  99.996%  kept
          HA    ALA  110 - HB    VAL  107   7.84 +/- 1.51   6.904% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB    VAL  107  14.54 +/- 0.85   0.763% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB    VAL  107  18.73 +/- 2.24   0.484% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  15.28 +/- 2.06   0.737% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  17.15 +/- 0.95   0.458% *  0.0222% (0.16   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 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 64.9:
    * O T HB    VAL  108 - HA    VAL  108   2.60 +/- 0.33  93.059% * 99.4465% (1.00  10.0 10.00   3.58  64.94) =  99.994%  kept
          HB2   PRO   93 - HA    VAL  108   8.97 +/- 2.24   4.833% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HA    VAL  108  13.79 +/- 2.21   0.842% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    VAL  108  17.06 +/- 2.63   0.479% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    VAL  108  21.37 +/- 1.72   0.209% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  21.82 +/- 0.98   0.175% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.63 +/- 2.37   0.187% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  23.35 +/- 2.86   0.173% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  36.82 +/- 3.20   0.042% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.9:
    * O T QG1   VAL  108 - HA    VAL  108   2.62 +/- 0.12  97.158% * 99.8607% (1.00  10.0 10.00   3.97  64.94) =  99.999%  kept
          HB3   LEU   63 - HA    VAL  108  15.89 +/- 3.21   0.659% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.65 +/- 1.59   0.860% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.17 +/- 3.53   0.901% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  17.97 +/- 3.86   0.422% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 64.9:
    * O T QG2   VAL  108 - HA    VAL  108   2.71 +/- 0.51  94.853% * 99.7938% (1.00  10.0 10.00   3.30  64.94) =  99.997%  kept
          QD1   ILE  119 - HA    VAL  108  11.74 +/- 1.93   1.650% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    VAL  108  10.34 +/- 1.65   2.627% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL  108  13.72 +/- 0.64   0.870% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 3.57, residual support = 64.7:
    * O T HA    VAL  108 - HB    VAL  108   2.60 +/- 0.33  89.126% * 96.1480% (1.00  10.0 10.00   3.58  64.94) =  99.582%  kept
          HA1   GLY  109 - HB    VAL  108   5.70 +/- 0.19   9.689% *  3.7059% (0.31   1.0  1.00   2.50   7.39) =   0.417%  kept
          HA    ALA   47 - HB    VAL  108  16.49 +/- 3.14   0.602% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HB    VAL  108  18.14 +/- 3.20   0.367% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  21.49 +/- 3.24   0.216% *  0.0190% (0.20   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 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 64.9:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  98.315% * 99.8607% (1.00  10.0 10.00   3.74  64.94) =  99.999%  kept
          QD1   LEU   40 - HB    VAL  108  13.84 +/- 1.78   0.562% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL  108  17.32 +/- 3.42   0.256% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.01 +/- 3.84   0.683% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  18.74 +/- 3.80   0.184% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 64.9:
    * O T QG2   VAL  108 - HB    VAL  108   2.13 +/- 0.01  97.878% * 99.1471% (1.00  10.0 10.00   3.29  64.94) =  99.995%  kept
        T QD1   ILE  119 - HB    VAL  108  13.04 +/- 1.95   0.502% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 112 - HB    VAL  108  12.42 +/- 1.82   1.193% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  13.13 +/- 0.46   0.427% *  0.0957% (0.97   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 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.983, support = 3.95, residual support = 63.5:
    * O T HA    VAL  108 - QG1   VAL  108   2.62 +/- 0.12  64.769% * 95.2118% (1.00  10.0 10.00   3.97  64.94) =  97.538%  kept
          HA1   GLY  109 - QG1   VAL  108   3.32 +/- 0.21  33.503% *  4.6435% (0.31   1.0  1.00   3.16   7.39) =   2.461%  kept
          HA    ALA   47 - QG1   VAL  108  13.83 +/- 3.07   0.922% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QG1   VAL  108  15.07 +/- 3.03   0.481% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  17.76 +/- 3.19   0.325% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 64.9:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  96.873% * 99.4465% (1.00  10.0 10.00   3.74  64.94) =  99.997%  kept
          HB2   PRO   93 - QG1   VAL  108   9.39 +/- 2.03   1.883% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QG1   VAL  108  13.62 +/- 1.86   0.429% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  16.04 +/- 2.31   0.272% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  19.45 +/- 1.53   0.136% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.28 +/- 0.94   0.134% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  20.52 +/- 2.07   0.122% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  21.67 +/- 2.75   0.119% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.43 +/- 2.93   0.031% *  0.0135% (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 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 64.9:
    * O T QG2   VAL  108 - QG1   VAL  108   2.08 +/- 0.03  97.596% * 99.7938% (1.00  10.0 10.00   3.44  64.94) =  99.999%  kept
          HG3   LYS+ 112 - QG1   VAL  108  10.58 +/- 1.42   1.356% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL  108  11.71 +/- 1.56   0.623% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.81 +/- 0.37   0.424% *  0.0963% (0.97   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 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.994, support = 3.29, residual support = 64.5:
    * O T HA    VAL  108 - QG2   VAL  108   2.71 +/- 0.51  79.545% * 96.3203% (1.00  10.0 10.00   3.30  64.94) =  99.152%  kept
          HA1   GLY  109 - QG2   VAL  108   4.93 +/- 0.33  18.501% *  3.5333% (0.31   1.0  1.00   2.38   7.39) =   0.846%  kept
          HA    ALA   47 - QG2   VAL  108  13.89 +/- 2.68   1.009% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QG2   VAL  108  15.34 +/- 2.74   0.568% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  18.10 +/- 2.82   0.377% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 64.9:
    * O T HB    VAL  108 - QG2   VAL  108   2.13 +/- 0.01  96.726% * 98.6316% (1.00  10.0 10.00   3.29  64.94) =  99.992%  kept
        T HB    ILE  119 - QG2   VAL  108  12.74 +/- 2.28   0.592% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - QG2   VAL  108   9.43 +/- 1.82   1.670% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   VAL  108  16.29 +/- 2.10   0.258% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  17.62 +/- 1.67   0.192% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.20 +/- 1.00   0.191% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.71 +/- 2.23   0.171% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  20.30 +/- 3.08   0.165% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.85 +/- 2.98   0.036% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 64.9:
    * O T QG1   VAL  108 - QG2   VAL  108   2.08 +/- 0.03  95.182% * 99.8607% (1.00  10.0 10.00   3.44  64.94) =  99.999%  kept
          QD2   LEU   67 - QG2   VAL  108  14.06 +/- 3.62   2.775% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   40 - QG2   VAL  108  11.40 +/- 1.74   1.257% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  14.37 +/- 3.12   0.459% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  15.50 +/- 3.45   0.327% *  0.0198% (0.20   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 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 = 9.36:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.279% * 98.9563% (1.00  10.0 10.00   2.00   9.36) =  99.998%  kept
        T HB2   TRP   49 - HA1   GLY  109  19.41 +/- 4.27   0.154% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR  118 - HA1   GLY  109  14.03 +/- 2.11   0.232% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  16.43 +/- 3.62   0.192% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  16.09 +/- 1.89   0.142% *  0.0719% (0.73   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 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.36:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  93.598% * 94.0056% (1.00  10.0 10.00   2.00   9.36) =  99.734%  kept
          HA    VAL  108 - HA2   GLY  109   4.42 +/- 0.05   5.823% *  3.9863% (0.31   1.0  1.00   2.75   7.39) =   0.263%  kept
        T HA    CYS   50 - HA2   GLY  109  16.88 +/- 3.70   0.177% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    TRP   49 - HA2   GLY  109  20.43 +/- 4.07   0.097% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   47 - HA2   GLY  109  16.67 +/- 3.54   0.202% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  25.18 +/- 3.68   0.048% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  20.98 +/- 0.82   0.055% *  0.0458% (0.49   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 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  97.241% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.994%  kept
        T QB    ALA   61 - HA    ALA  110  13.66 +/- 2.69   0.494% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   80 - HA    ALA  110  21.26 +/- 4.68   0.283% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.25 +/- 5.20   0.601% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.03 +/- 4.20   0.231% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  18.02 +/- 3.61   0.243% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  16.75 +/- 2.47   0.250% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  20.36 +/- 3.55   0.147% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  24.55 +/- 2.99   0.075% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  19.95 +/- 3.25   0.150% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.83 +/- 1.15   0.206% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.46 +/- 1.98   0.079% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 1.31, residual support = 9.56:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.02  84.438% * 90.9903% (1.00  10.0 10.00   1.31   9.58) =  99.746%  kept
          HA    PHE   55 - QB    ALA  110  10.66 +/- 3.87   2.556% *  4.6660% (0.87   1.0  1.00   1.18   0.62) =   0.155%  kept
          HA    PHE   55 - QB    ALA   61   9.40 +/- 1.87   2.093% *  3.3910% (0.64   1.0  1.00   1.16   0.02) =   0.092%
        T HA    ALA  110 - QB    ALA   61  13.66 +/- 2.69   0.429% *  0.6733% (0.74   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  107 - QB    ALA  110   7.51 +/- 1.36   3.822% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QB    ALA   61   9.89 +/- 2.81   3.483% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA  110  13.19 +/- 2.65   0.504% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QB    ALA  110  10.75 +/- 2.99   1.221% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  16.52 +/- 1.96   0.215% *  0.0660% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.00 +/- 1.77   0.415% *  0.0253% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.35 +/- 2.00   0.441% *  0.0208% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  14.20 +/- 2.40   0.383% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.95, residual support = 313.6:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.66 +/- 0.27  78.926% * 97.1156% (1.00  10.0 10.00   7.98 315.01) =  99.559%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.68 +/- 0.67  17.849% *  1.8904% (0.57   1.0  1.00   0.69   0.11) =   0.438%  kept
        T HG3   GLN   30 - HA    LYS+ 111  26.21 +/- 3.97   0.174% *  0.4727% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LYS+ 111  12.02 +/- 1.49   1.611% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  29.92 +/- 4.63   0.260% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.02 +/- 2.80   0.178% *  0.0842% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  27.32 +/- 5.07   0.132% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  27.22 +/- 4.46   0.109% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  22.95 +/- 3.33   0.264% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.54 +/- 3.60   0.212% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.16 +/- 3.51   0.193% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  26.77 +/- 1.89   0.091% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.23 +/- 0.50  79.381% * 99.2615% (1.00  10.0 10.00   7.31 315.01) =  99.990%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.48 +/- 2.68  12.701% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HA    LYS+ 111  14.19 +/- 2.68   1.469% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+ 111  15.30 +/- 1.87   1.019% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  21.97 +/- 3.59   0.469% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+ 111  15.76 +/- 2.32   0.915% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LYS+ 111  19.25 +/- 2.13   0.507% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  16.27 +/- 2.17   0.828% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  12.88 +/- 1.60   1.667% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.01 +/- 2.38   0.485% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  23.78 +/- 1.66   0.237% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  25.76 +/- 2.57   0.190% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  29.23 +/- 2.56   0.132% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.981, support = 7.27, residual support = 306.2:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.87 +/- 0.69  76.023% * 89.5614% (1.00  10.0 10.00   7.31 315.01) =  96.918%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   5.82 +/- 1.34  21.873% *  9.8884% (0.38   1.0  1.00   5.88  28.90) =   3.079%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  19.47 +/- 3.09   0.312% *  0.3361% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+ 111  15.16 +/- 3.48   0.984% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HA    LYS+ 111  24.16 +/- 3.80   0.185% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  23.16 +/- 1.76   0.218% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  24.22 +/- 3.90   0.178% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.42 +/- 3.78   0.228% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.9:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.29 +/- 0.94  72.495% * 98.3525% (1.00 10.00   6.21 315.01) =  99.962%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.55 +/- 3.26  11.254% *  0.0853% (0.87  1.00   0.02   0.02) =   0.013%
          HB3   MET   92 - HA    LYS+ 111  10.30 +/- 2.14   7.916% *  0.0964% (0.98  1.00   0.02   0.02) =   0.011%
        T QD    LYS+ 102 - HA    LYS+ 111  21.36 +/- 1.55   0.434% *  0.6756% (0.69 10.00   0.02   0.02) =   0.004%
          HB2   LEU   73 - HA    LYS+ 111  20.71 +/- 5.84   2.550% *  0.0882% (0.90  1.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HA    LYS+ 111  12.96 +/- 1.05   1.950% *  0.0714% (0.73  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HA    LYS+ 111  17.89 +/- 2.76   0.731% *  0.1518% (0.15 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HA    LYS+ 111  17.33 +/- 1.87   1.233% *  0.0882% (0.90  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    LYS+ 111  26.44 +/- 2.47   0.240% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  20.25 +/- 1.72   0.538% *  0.0676% (0.69  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  20.68 +/- 3.20   0.661% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.9:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   3.82 +/- 0.90  85.015% * 98.5544% (1.00 10.00   6.21 315.01) =  99.978%  kept
          QB    ALA   57 - HA    LYS+ 111  11.27 +/- 2.62   7.279% *  0.0983% (1.00  1.00   0.02   0.02) =   0.009%
        T QD    LYS+  33 - HA    LYS+ 111  26.39 +/- 3.37   0.548% *  0.8839% (0.90 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  65 - HA    LYS+ 111  17.89 +/- 2.76   1.465% *  0.2457% (0.25 10.00   0.02   0.02) =   0.004%
          HB3   LEU  123 - HA    LYS+ 111  18.40 +/- 2.17   1.643% *  0.0884% (0.90  1.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HA    LYS+ 111  19.95 +/- 2.96   1.049% *  0.0823% (0.84  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.14 +/- 1.50   2.062% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  20.68 +/- 3.20   0.938% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.38 +/- 0.64  95.882% * 99.8490% (1.00 10.00   5.62 315.01) =  99.996%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.62 +/- 1.45   2.881% *  0.0945% (0.95  1.00   0.02   0.02) =   0.003%
          HB2   CYS   21 - HA    LYS+ 111  23.11 +/- 4.57   1.237% *  0.0565% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.0:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.66 +/- 0.27  98.419% * 99.7221% (1.00  10.0 10.00   7.98 315.01) =  99.999%  kept
          HA    PRO   52 - HB2   LYS+ 111  13.60 +/- 2.75   1.138% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG3   GLN   30  26.21 +/- 3.97   0.216% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.92 +/- 3.91   0.227% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 0.998, support = 7.31, residual support = 314.3:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.79 +/- 0.23  78.486% * 94.4643% (1.00  10.0 10.00   7.31 315.01) =  99.730%  kept
          HB2   LEU   31 - HG3   GLN   30   7.49 +/- 0.22   4.330% *  4.5206% (0.20   1.0  1.00   4.80  52.12) =   0.263%  kept
          HB3   PRO   93 - HB2   LYS+ 111  10.06 +/- 2.46   3.073% *  0.0292% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HG3   GLN   30  14.34 +/- 3.22   3.310% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+ 111  15.36 +/- 2.40   0.721% *  0.0686% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+ 111  15.87 +/- 1.94   0.550% *  0.0789% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG3   GLN   30  27.42 +/- 3.69   0.129% *  0.1899% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.35 +/- 2.47   0.439% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.28 +/- 3.80   0.240% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.90 +/- 3.33   1.232% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  16.75 +/- 2.67   0.452% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.51 +/- 1.60   0.927% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  17.93 +/- 7.64   0.761% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  17.48 +/- 2.18   0.396% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.62 +/- 1.80   0.143% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  20.20 +/- 2.36   0.265% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.11 +/- 2.47   0.114% *  0.0936% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.08 +/- 1.36   0.704% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.94 +/- 2.60   0.668% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.33 +/- 2.43   0.980% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  29.24 +/- 2.42   0.078% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  19.89 +/- 4.62   0.487% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  18.28 +/- 4.69   0.433% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  22.29 +/- 4.93   0.241% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  15.53 +/- 3.07   0.608% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  21.06 +/- 2.58   0.232% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.992, support = 7.27, residual support = 311.4:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.81 +/- 0.23  67.511% * 88.3753% (1.00  10.0 10.00   7.29 315.01) =  98.731%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.34 +/- 1.38   7.397% * 10.3041% (0.38   1.0  1.00   6.21  28.90) =   1.261%  kept
        T HG2   LYS+  74 - HB2   LYS+ 111  20.66 +/- 2.96   0.243% *  0.3317% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HB2   LYS+ 111  24.65 +/- 4.02   0.192% *  0.3633% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HG3   GLN   30  13.31 +/- 3.26   1.035% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  16.52 +/- 3.78   0.552% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG3   GLN   30  10.82 +/- 3.18   5.777% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   GLN   30   9.90 +/- 3.41   4.420% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   GLN   30   7.17 +/- 2.94   9.972% *  0.0035% (0.04   1.0  1.00   0.02  13.73) =   0.001%
        T HG13  ILE   19 - HB2   LYS+ 111  25.85 +/- 3.90   0.122% *  0.1749% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.34 +/- 3.58   0.105% *  0.1776% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  14.63 +/- 3.81   2.067% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  24.67 +/- 3.85   0.157% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  22.98 +/- 1.83   0.139% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  23.48 +/- 4.52   0.162% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  25.37 +/- 4.74   0.149% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 314.9:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.84 +/- 0.63  60.693% * 97.6852% (1.00  10.0 10.00   6.61 315.01) =  99.971%  kept
          HB2   LEU   73 - HG3   GLN   30   8.37 +/- 5.07  22.609% *  0.0176% (0.18   1.0  1.00   0.02   4.76) =   0.007%
          HG3   PRO   93 - HB2   LYS+ 111  10.28 +/- 3.20   4.496% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.006%
        T QD    LYS+ 102 - HB2   LYS+ 111  21.19 +/- 2.20   0.240% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   92 - HB2   LYS+ 111  11.79 +/- 2.02   1.609% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   GLN   30  15.72 +/- 3.50   0.873% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HB2   LYS+ 111  12.99 +/- 1.77   1.331% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB2   LYS+ 111  18.71 +/- 2.48   0.400% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  13.80 +/- 1.48   0.834% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB2   LYS+ 111  21.74 +/- 5.57   0.561% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB2   LYS+ 111  16.34 +/- 2.29   0.559% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   GLN   30  13.48 +/- 3.05   2.402% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+ 111  26.39 +/- 2.45   0.106% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HG3   GLN   30  23.03 +/- 2.76   0.160% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.10 +/- 3.83   0.110% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  20.05 +/- 1.95   0.258% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  15.66 +/- 2.63   0.548% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  22.49 +/- 4.55   0.743% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.94 +/- 3.53   0.351% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  17.31 +/- 2.25   0.352% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.49 +/- 2.64   0.137% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  18.34 +/- 7.20   0.628% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.98, support = 6.48, residual support = 307.5:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.07 +/- 0.41  66.115% * 91.4892% (1.00  10.0 10.00   6.61 315.01) =  97.618%  kept
        T QD    LYS+  33 - HG3   GLN   30   4.99 +/- 1.05  21.342% *  6.8801% (0.18   1.0 10.00   0.83   0.52) =   2.370%  kept
          QB    ALA   57 - HB2   LYS+ 111  12.04 +/- 2.91   3.190% *  0.0913% (1.00   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HB2   LYS+ 111  26.71 +/- 3.25   0.139% *  0.8205% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB2   LYS+ 111  18.71 +/- 2.48   0.430% *  0.2281% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HB2   LYS+ 111  17.39 +/- 2.60   0.829% *  0.0821% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  15.66 +/- 2.63   0.976% *  0.0459% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG3   GLN   30  13.33 +/- 3.33   1.540% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.53 +/- 4.00   0.128% *  0.1839% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  14.29 +/- 2.33   0.890% *  0.0254% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  21.18 +/- 2.73   0.259% *  0.0764% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  18.20 +/- 3.60   0.685% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  19.72 +/- 4.71   1.879% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.94 +/- 3.53   0.247% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  23.11 +/- 4.51   0.258% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  18.34 +/- 7.20   1.093% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.0:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.25 +/- 0.88  68.440% * 99.6189% (1.00 10.00   6.05 315.01) =  99.992%  kept
          HB2   CYS   21 - HG3   GLN   30   5.94 +/- 2.10  29.049% *  0.0113% (0.11  1.00   0.02   0.02) =   0.005%
          HB2   PHE   45 - HB2   LYS+ 111  14.00 +/- 1.34   1.241% *  0.0942% (0.95  1.00   0.02   0.02) =   0.002%
        T QE    LYS+ 111 - HG3   GLN   30  25.47 +/- 3.68   0.203% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB2   LYS+ 111  23.81 +/- 4.50   0.401% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  18.20 +/- 2.87   0.666% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 5.06 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 = 315.0:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.23 +/- 0.50  98.223% * 99.9354% (1.00  10.0 10.00   7.31 315.01) =  99.999%  kept
          HA    PRO   52 - HG2   LYS+ 111  13.63 +/- 3.03   1.777% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 7.31, residual support = 314.7:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.79 +/- 0.23  64.247% * 98.7552% (1.00  10.0 10.00   7.31 315.01) =  99.886%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.86 +/- 1.87  30.014% *  0.2340% (0.57   1.0  1.00   0.08   0.11) =   0.111%  kept
          HB    ILE  119 - HG2   LYS+ 111  12.63 +/- 2.29   4.286% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   LYS+ 111  27.42 +/- 3.69   0.114% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG2   LYS+ 111  28.33 +/- 5.61   0.265% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  25.18 +/- 3.56   0.189% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  31.18 +/- 4.80   0.138% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  23.96 +/- 3.97   0.279% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  28.45 +/- 4.80   0.109% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.77 +/- 3.91   0.154% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.42 +/- 3.43   0.124% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.48 +/- 2.45   0.080% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 314.6:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  98.084% * 89.2939% (1.00  10.0 10.00   6.98 315.01) =  99.846%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   7.87 +/- 1.39   1.460% *  9.0869% (0.38   1.0  1.00   5.42  28.90) =   0.151%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  16.46 +/- 3.53   0.197% *  0.8850% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG2   LYS+ 111  21.01 +/- 3.04   0.076% *  0.3351% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.93 +/- 2.13   0.042% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  25.45 +/- 3.96   0.047% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.47 +/- 4.14   0.050% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.60 +/- 4.33   0.044% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.9:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.75 +/- 0.24  86.394% * 97.1375% (1.00  10.0 10.00   6.21 315.01) =  99.975%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  13.50 +/- 2.34   1.037% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HG3   PRO   93 - HG2   LYS+ 111  10.32 +/- 3.61   8.205% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          HB3   MET   92 - HG2   LYS+ 111  11.67 +/- 2.16   2.019% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG2   LYS+ 111  20.90 +/- 2.28   0.230% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.86 +/- 2.67   0.202% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HG2   LYS+ 111  17.48 +/- 2.68   0.662% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.03 +/- 3.25   0.366% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+ 111  22.20 +/- 5.74   0.542% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+ 111  27.21 +/- 2.70   0.104% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.00 +/- 3.48   0.239% *  0.0192% (0.20   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 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.53 +/- 0.28  96.737% * 97.8296% (1.00  10.0 10.00   6.21 315.01) =  99.994%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  21.48 +/- 2.98   0.202% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG2   LYS+ 111  12.60 +/- 2.67   1.305% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.03 +/- 3.25   0.426% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+ 111  27.44 +/- 3.26   0.099% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  18.52 +/- 2.91   0.414% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  15.22 +/- 2.64   0.611% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.00 +/- 3.48   0.205% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 315.0:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.87 +/- 0.47  97.882% * 99.8490% (1.00  10.0 10.00   5.62 315.01) =  99.998%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.13 +/- 2.10   1.671% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - HG2   LYS+ 111  24.42 +/- 4.63   0.447% *  0.0565% (0.57   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 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.87 +/- 0.69  97.413% * 99.8218% (1.00  10.0 10.00   7.31 315.01) =  99.999%  kept
          HA    PRO   52 - HG3   LYS+ 111  13.52 +/- 3.05   1.160% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG2   LYS+  74  19.47 +/- 3.09   0.410% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  16.62 +/- 3.08   1.017% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 7.28, residual support = 314.7:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.81 +/- 0.23  64.332% * 98.0703% (1.00  10.0 10.00   7.29 315.01) =  99.909%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.00 +/- 1.51  22.773% *  0.2323% (0.57   1.0  1.00   0.08   0.11) =   0.084%
        T HB    ILE   19 - HG2   LYS+  74  11.52 +/- 5.67   2.157% *  0.0510% (0.05   1.0 10.00   0.02   7.99) =   0.002%
        T HB    ILE   19 - HG3   LYS+ 111  25.73 +/- 3.75   0.122% *  0.4774% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   LYS+  74  13.31 +/- 3.26   0.989% *  0.0510% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  27.34 +/- 3.58   0.102% *  0.4774% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG3   LYS+ 111  12.93 +/- 2.08   1.718% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG2   LYS+  74  20.66 +/- 2.96   0.236% *  0.1048% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  13.82 +/- 6.80   2.054% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  28.44 +/- 5.66   0.197% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.55 +/- 3.20   0.131% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.88 +/- 4.77   0.124% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  13.72 +/- 2.81   0.995% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  28.54 +/- 4.84   0.087% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.37 +/- 3.70   0.181% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  16.49 +/- 4.22   0.541% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  14.07 +/- 2.85   0.776% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  17.58 +/- 3.39   0.328% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  17.24 +/- 2.87   0.451% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  26.32 +/- 3.27   0.111% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  27.50 +/- 2.09   0.074% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  13.04 +/- 2.47   0.838% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.17 +/- 3.24   0.510% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.17 +/- 2.20   0.173% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.0:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  90.726% * 98.9181% (1.00  10.0 10.00   6.98 315.01) =  99.998%  kept
          HB3   PRO   93 - HG3   LYS+ 111  10.05 +/- 2.96   0.967% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+  74   6.63 +/- 1.90   3.456% *  0.0077% (0.08   1.0  1.00   0.02   5.49) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.73 +/- 2.87   0.222% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  16.83 +/- 2.40   0.175% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74   9.98 +/- 2.56   0.915% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  21.01 +/- 3.04   0.070% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.18 +/- 1.83   0.077% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  16.17 +/- 2.92   0.159% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  20.74 +/- 2.14   0.062% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  19.55 +/- 2.70   0.093% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.01 +/- 3.62   0.054% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  17.04 +/- 2.45   0.124% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  12.70 +/- 2.40   0.391% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.87 +/- 1.65   0.215% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.64 +/- 1.91   0.035% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.83 +/- 2.49   0.063% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  26.79 +/- 2.50   0.028% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.99 +/- 2.23   0.170% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   8.26 +/- 0.92   0.996% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  30.29 +/- 2.45   0.019% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  12.60 +/- 2.39   0.361% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  12.50 +/- 1.24   0.276% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.42 +/- 2.09   0.163% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  17.32 +/- 2.10   0.117% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.44 +/- 2.67   0.066% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 314.4:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.78 +/- 0.20  70.757% * 94.6610% (1.00  10.0 10.00   5.40 315.01) =  99.768%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.94 +/- 1.10   6.343% *  2.1592% (0.10   1.0  1.00   4.76  41.66) =   0.204%  kept
        T QD    LYS+ 106 - HG3   LYS+ 111  13.27 +/- 2.08   0.925% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HG3   PRO   93 - HG3   LYS+ 111  10.03 +/- 3.56   5.383% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          HB3   MET   92 - HG3   LYS+ 111  11.23 +/- 2.45   1.810% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HG2   LYS+  74   8.80 +/- 3.44   9.035% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+ 111  21.04 +/- 2.07   0.184% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.70 +/- 2.53   0.173% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG3   LYS+ 111  19.25 +/- 2.95   0.316% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HG3   LYS+ 111  17.83 +/- 2.49   0.488% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG3   LYS+ 111  22.10 +/- 5.61   0.449% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  74  16.53 +/- 1.78   0.400% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.14 +/- 1.94   0.368% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.38 +/- 2.55   0.083% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  21.57 +/- 3.21   0.203% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  19.53 +/- 1.98   0.238% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  19.48 +/- 2.40   0.265% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  14.14 +/- 2.54   0.789% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  15.26 +/- 1.65   0.512% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.68 +/- 3.41   0.199% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.01 +/- 3.33   0.200% *  0.0091% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.57 +/- 2.04   0.879% *  0.0020% (0.02   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.931, support = 5.41, residual support = 305.3:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.77 +/- 0.29  47.190% * 89.7666% (1.00  10.0 10.00   5.40 315.01) =  92.471%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.86 +/- 0.15  42.982% *  8.0133% (0.09  10.0 10.00   5.54 186.65) =   7.519%  kept
        T QD    LYS+  65 - HG2   LYS+  74   8.80 +/- 3.44   4.552% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG3   LYS+ 111  21.46 +/- 3.10   0.130% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG3   LYS+ 111  12.69 +/- 2.81   0.900% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 111  27.39 +/- 3.13   0.066% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.25 +/- 2.95   0.176% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+  74  15.62 +/- 2.25   0.319% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+ 111  18.88 +/- 2.76   0.262% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74  11.62 +/- 4.22   2.024% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.01 +/- 3.30   0.127% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.53 +/- 2.30   0.333% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.68 +/- 3.41   0.139% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.75 +/- 3.29   0.134% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.57 +/- 2.04   0.480% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.66 +/- 2.32   0.185% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.0:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.43 +/- 0.42  92.990% * 99.7265% (1.00  10.0 10.00   5.44 315.01) =  99.998%  kept
          HB2   PHE   45 - HG3   LYS+ 111  13.84 +/- 1.72   0.631% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - HG2   LYS+  74  19.59 +/- 2.81   0.283% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74  10.28 +/- 4.65   4.070% *  0.0060% (0.06   1.0  1.00   0.02   7.62) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74  10.33 +/- 1.20   1.857% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.26 +/- 4.50   0.169% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.29 +/- 0.94  90.760% * 99.4172% (1.00 10.00   6.21 315.01) =  99.994%  kept
          HA    PRO   52 - HD2   LYS+ 111  14.02 +/- 3.29   2.921% *  0.0643% (0.65  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+ 102  21.36 +/- 1.55   0.549% *  0.2599% (0.26 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+  65  17.89 +/- 2.76   0.915% *  0.1523% (0.15 10.00   0.02   0.02) =   0.002%
          HA    PRO   52 - QD    LYS+  65  15.41 +/- 3.38   4.044% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  26.44 +/- 2.47   0.306% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  25.87 +/- 1.66   0.280% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  29.17 +/- 3.59   0.224% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 314.7:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.84 +/- 0.63  43.699% * 97.7713% (1.00  10.0 10.00   6.61 315.01) =  99.915%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.46 +/- 1.56  13.033% *  0.2316% (0.57   1.0  1.00   0.08   0.11) =   0.071%
        T HG3   GLN   30 - QD    LYS+ 102  15.72 +/- 3.50   0.620% *  0.1244% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD    LYS+  65  11.85 +/- 5.41   4.772% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  65  18.71 +/- 2.48   0.288% *  0.1498% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+ 102  21.19 +/- 2.20   0.165% *  0.2556% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  28.10 +/- 3.83   0.086% *  0.4759% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  15.66 +/- 2.63   0.511% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   9.30 +/- 1.74   2.406% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD2   LYS+ 111  13.17 +/- 2.48   1.347% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   7.04 +/- 3.11  12.879% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+ 102   8.30 +/- 1.70   3.651% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  38  13.80 +/- 1.48   0.596% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.52 +/- 2.22   2.973% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  28.78 +/- 5.43   0.180% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.44 +/- 3.96   1.453% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  14.36 +/- 3.96   0.608% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  20.04 +/- 5.18   0.332% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.48 +/- 3.38   0.088% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.84 +/- 3.81   0.283% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  29.04 +/- 4.86   0.072% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.60 +/- 3.60   0.943% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.39 +/- 2.45   0.075% *  0.0736% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.42 +/- 1.90   0.382% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.79 +/- 2.96   0.738% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  31.87 +/- 4.75   0.053% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.42 +/- 3.76   0.090% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.92 +/- 2.82   0.313% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  17.77 +/- 3.67   0.337% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  24.30 +/- 3.71   0.103% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  15.14 +/- 3.59   1.340% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  21.78 +/- 3.39   0.173% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  14.47 +/- 3.36   0.660% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  22.89 +/- 3.66   0.146% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.71 +/- 2.35   0.425% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  17.99 +/- 3.39   0.364% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  21.02 +/- 3.83   0.228% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  15.42 +/- 3.14   0.582% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.46 +/- 1.47   0.585% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.07 +/- 3.40   0.087% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  18.98 +/- 3.72   0.323% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  27.98 +/- 1.85   0.063% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.61 +/- 2.07   0.443% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  20.84 +/- 1.97   0.212% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.11 +/- 1.34   0.735% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.82 +/- 3.43   0.157% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  20.89 +/- 2.42   0.150% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  20.30 +/- 3.43   0.251% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.922, support = 6.16, residual support = 307.0:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.75 +/- 0.24  27.190% * 90.8110% (1.00  10.0 10.00   6.21 315.01) =  91.683%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.37 +/- 0.15  40.529% *  5.4729% (0.06  10.0 10.00   5.75 221.00) =   8.236%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.68 +/- 3.81   2.604% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.027%
        T HG2   LYS+  99 - QD    LYS+ 102   9.12 +/- 1.69   2.036% *  0.2129% (0.23   1.0 10.00   0.02   1.48) =   0.016%
        T HG2   LYS+  38 - QD    LYS+ 102  13.08 +/- 3.08   2.165% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   LYS+  99 - QD    LYS+  38   7.22 +/- 2.04   4.816% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU   98 - QD    LYS+ 102   7.11 +/- 1.73   3.573% *  0.0106% (0.12   1.0  1.00   0.02   1.96) =   0.001%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.04 +/- 1.53   0.036% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+  65   9.65 +/- 3.10   2.531% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    LYS+ 102  11.88 +/- 5.08   1.034% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.56 +/- 1.11   2.011% *  0.0116% (0.13   1.0  1.00   0.02   3.40) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.03 +/- 3.25   0.114% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.65 +/- 2.22   0.020% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.86 +/- 2.67   0.058% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.32 +/- 3.21   0.109% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  16.37 +/- 3.13   0.187% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.13 +/- 2.26   0.156% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.91 +/- 2.72   3.015% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  20.35 +/- 2.77   0.081% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.64 +/- 2.86   0.142% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  16.77 +/- 3.33   0.169% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  15.58 +/- 6.54   1.685% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.75 +/- 3.86   0.054% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.67 +/- 2.85   0.124% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.48 +/- 2.36   0.274% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.73 +/- 3.76   0.295% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  19.11 +/- 5.22   0.171% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  13.48 +/- 3.12   0.756% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.09 +/- 1.79   0.429% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.52 +/- 3.87   0.428% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.54 +/- 2.52   0.028% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.47 +/- 2.28   0.062% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.79 +/- 5.58   0.173% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  11.75 +/- 3.13   0.977% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  17.74 +/- 5.05   0.192% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.21 +/- 2.70   0.029% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.26 +/- 1.30   0.111% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.54 +/- 3.06   0.243% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  19.27 +/- 2.80   0.089% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.31 +/- 2.53   0.115% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  17.54 +/- 3.79   0.161% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.07 +/- 3.17   0.218% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.12 +/- 2.91   0.133% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  15.87 +/- 2.29   0.178% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.71 +/- 3.30   0.095% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  19.78 +/- 1.27   0.073% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.46 +/- 1.41   0.077% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.91 +/- 3.98   0.049% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  24.68 +/- 3.44   0.043% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  22.63 +/- 2.41   0.052% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.31 +/- 1.69   0.039% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.81 +/- 1.46   0.074% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.993, support = 5.38, residual support = 311.7:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.78 +/- 0.20  58.195% * 90.8355% (1.00  10.0 10.00   5.40 315.01) =  98.833%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   7.85 +/- 2.21   8.171% *  7.4560% (0.38   1.0  1.00   4.37  28.90) =   1.139%  kept
        T HG3   LYS+  99 - QD    LYS+ 102   9.40 +/- 1.84   7.682% *  0.0810% (0.09   1.0 10.00   0.02   1.48) =   0.012%
        T HG2   LYS+  74 - QD    LYS+  65   8.80 +/- 3.44   7.520% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  99 - QD    LYS+  38   7.66 +/- 1.80   6.816% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.57 +/- 3.21   0.166% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+ 111  16.68 +/- 4.32   0.537% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.25 +/- 2.95   0.263% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.70 +/- 2.53   0.142% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.41 +/- 1.59   0.096% *  0.3098% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+ 102  19.53 +/- 1.98   0.195% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.13 +/- 3.36   0.268% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  19.46 +/- 4.52   0.293% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.24 +/- 3.91   1.158% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  19.48 +/- 2.40   0.220% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.06 +/- 2.53   1.943% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.61 +/- 1.69   0.813% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.38 +/- 2.55   0.069% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.95 +/- 2.86   0.394% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.89 +/- 3.62   0.102% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  16.06 +/- 3.16   0.418% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.01 +/- 1.42   0.698% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  19.77 +/- 4.11   0.288% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  25.92 +/- 3.69   0.098% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.56 +/- 1.96   1.095% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.76 +/- 3.25   1.127% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.25 +/- 4.07   0.095% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  18.83 +/- 3.97   0.350% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  22.69 +/- 2.76   0.154% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.38 +/- 3.19   0.462% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  26.80 +/- 3.04   0.077% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  25.92 +/- 3.40   0.095% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.09 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 = 315.0:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.34 +/- 0.15  93.047% * 99.2899% (1.00  10.0 10.00   4.97 315.01) =  99.997%  kept
          HB2   PHE   45 - QD    LYS+  65  13.42 +/- 4.28   3.798% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD2   LYS+ 111  14.62 +/- 2.53   0.572% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+ 102  20.19 +/- 2.35   0.180% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  17.85 +/- 2.83   0.300% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  17.23 +/- 3.83   0.607% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.14 +/- 4.63   0.127% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.19 +/- 2.50   0.084% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.34 +/- 1.81   0.248% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.38 +/- 2.37   0.660% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  17.49 +/- 1.93   0.267% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  22.41 +/- 1.38   0.111% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   3.82 +/- 0.90  85.909% * 98.7339% (1.00 10.00   6.21 315.01) =  99.985%  kept
        T HA    LYS+ 111 - QD    LYS+  33  26.39 +/- 3.37   0.559% *  0.8848% (0.90 10.00   0.02   0.02) =   0.006%
        T HA    LYS+ 111 - QD    LYS+  65  17.89 +/- 2.76   1.434% *  0.2444% (0.25 10.00   0.02   0.02) =   0.004%
          HA    PRO   52 - HD3   LYS+ 111  14.34 +/- 3.34   4.386% *  0.0639% (0.65  1.00   0.02   0.02) =   0.003%
          HA    PRO   52 - QD    LYS+  65  15.41 +/- 3.38   7.392% *  0.0158% (0.16  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  33  26.87 +/- 3.46   0.319% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.966, support = 6.28, residual support = 296.8:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.07 +/- 0.41  36.010% * 81.8249% (1.00  10.0 10.00   6.61 315.01) =  94.220%  kept
        T HG3   GLN   30 - QD    LYS+  33   4.99 +/- 1.05  11.499% * 14.8893% (0.44   1.0 10.00   0.83   0.52) =   5.475%  kept
          HB2   GLN   30 - QD    LYS+  33   5.49 +/- 0.91   9.179% *  0.6810% (0.20   1.0  1.00   0.83   0.52) =   0.200%  kept
          QB    GLU- 114 - HD3   LYS+ 111   5.63 +/- 1.67  11.408% *  0.1939% (0.57   1.0  1.00   0.08   0.11) =   0.071%
          QB    GLU-  15 - QD    LYS+  33   9.72 +/- 3.54   2.212% *  0.0727% (0.89   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE   19 - QD    LYS+  33   8.09 +/- 3.46   3.958% *  0.0357% (0.44   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - QD    LYS+  65  11.85 +/- 5.41   5.548% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - QD    LYS+  33  12.46 +/- 3.96   1.322% *  0.0727% (0.89   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HD3   LYS+ 111  13.50 +/- 2.47   5.235% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LYS+ 111 - QD    LYS+  33  26.71 +/- 3.25   0.078% *  0.7332% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD    LYS+  33  12.07 +/- 1.65   0.818% *  0.0658% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - QD    LYS+  65  15.66 +/- 2.63   0.529% *  0.0986% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  65  18.71 +/- 2.48   0.234% *  0.2026% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD    LYS+  65   9.30 +/- 1.74   2.196% *  0.0176% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  33  16.02 +/- 3.72   0.492% *  0.0636% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  33  11.62 +/- 2.42   1.463% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  28.53 +/- 4.00   0.072% *  0.3983% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  65   9.52 +/- 2.22   2.740% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65  14.36 +/- 3.96   0.833% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HD3   LYS+ 111  29.12 +/- 5.69   0.172% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  16.27 +/- 3.32   0.354% *  0.0301% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  21.44 +/- 3.40   0.248% *  0.0415% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.05 +/- 3.50   0.123% *  0.0710% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.79 +/- 2.96   0.841% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.25 +/- 4.73   0.083% *  0.0734% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  29.43 +/- 4.91   0.073% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  24.85 +/- 3.84   0.164% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.71 +/- 2.35   0.454% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.80 +/- 4.02   0.093% *  0.0398% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.92 +/- 2.82   0.187% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  21.12 +/- 3.57   0.150% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.46 +/- 1.47   0.496% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.61 +/- 2.07   0.446% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.51 +/- 3.59   0.076% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.29 +/- 2.13   0.055% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.82 +/- 3.43   0.161% *  0.0056% (0.07   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 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.5:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.53 +/- 0.28  64.224% * 94.0139% (1.00  10.0 10.00   6.21 315.01) =  99.827%  kept
          HB2   LEU   31 - QD    LYS+  33   7.85 +/- 0.75   3.002% *  3.1394% (0.89   1.0  1.00   0.75   1.03) =   0.156%  kept
          HB3   PRO   93 - HD3   LYS+ 111  11.20 +/- 3.59   4.887% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD    LYS+  33   9.40 +/- 1.05   1.572% *  0.0675% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD    LYS+  65   9.65 +/- 3.10   6.151% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD    LYS+  33  11.94 +/- 2.18   1.199% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.56 +/- 1.11   4.401% *  0.0194% (0.21   1.0  1.00   0.02   3.40) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.03 +/- 3.25   0.273% *  0.2327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  27.44 +/- 3.26   0.065% *  0.8425% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.32 +/- 3.21   0.243% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  33  17.03 +/- 2.50   0.491% *  0.0704% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  20.35 +/- 2.77   0.161% *  0.1864% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.73 +/- 1.50   0.645% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  19.68 +/- 5.97   0.310% *  0.0778% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.88 +/- 3.19   0.353% *  0.0683% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.64 +/- 2.39   0.278% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  18.17 +/- 4.72   0.377% *  0.0477% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.77 +/- 1.81   0.286% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.73 +/- 3.76   0.796% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  13.48 +/- 3.12   2.067% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  16.93 +/- 3.31   0.351% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.52 +/- 3.87   1.176% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  19.85 +/- 3.13   0.220% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  24.13 +/- 4.03   0.129% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  11.75 +/- 3.13   2.849% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  14.80 +/- 2.27   0.663% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.94 +/- 2.89   0.283% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.44 +/- 3.51   0.229% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.31 +/- 2.53   0.255% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.41 +/- 1.73   0.068% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  22.59 +/- 3.80   0.151% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.54 +/- 3.06   0.413% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  27.97 +/- 2.51   0.054% *  0.0932% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.07 +/- 3.17   0.610% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.83 +/- 2.17   0.113% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  17.08 +/- 2.01   0.261% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  31.08 +/- 2.41   0.039% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.31 +/- 1.93   0.108% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.71 +/- 3.30   0.247% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.996, support = 5.39, residual support = 313.3:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.77 +/- 0.29  62.650% * 90.2573% (1.00  10.0 10.00   5.40 315.01) =  99.411%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   8.54 +/- 2.01   4.318% *  7.4146% (0.38   1.0  1.00   4.38  28.90) =   0.563%  kept
        T HG2   LYS+  74 - QD    LYS+  65   8.80 +/- 3.44   5.797% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   71 - QD    LYS+  33   9.81 +/- 3.54   7.140% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   71 - QD    LYS+  33   9.39 +/- 3.14   5.132% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  33  15.62 +/- 2.25   0.465% *  0.3036% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QD    LYS+  33   8.28 +/- 3.57   7.438% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  33  27.39 +/- 3.13   0.093% *  0.8088% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HD3   LYS+ 111  22.01 +/- 3.30   0.175% *  0.3387% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.25 +/- 2.95   0.239% *  0.2234% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  16.99 +/- 4.17   0.510% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD    LYS+  33  12.42 +/- 2.67   1.132% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD    LYS+  65  19.13 +/- 3.36   0.246% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  24.30 +/- 3.24   0.115% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.61 +/- 1.69   0.918% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.24 +/- 3.91   0.857% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.01 +/- 1.42   0.738% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  19.77 +/- 4.11   0.262% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.76 +/- 3.25   1.264% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.46 +/- 3.95   0.102% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.49 +/- 4.13   0.102% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  25.77 +/- 3.85   0.113% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.79 +/- 1.82   0.100% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.64 +/- 4.40   0.092% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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 = 315.0:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.42 +/- 0.15  91.059% * 98.5534% (1.00  10.0 10.00   4.97 315.01) =  99.995%  kept
          HB2   PHE   45 - QD    LYS+  65  13.42 +/- 4.28   4.888% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    LYS+  33   9.82 +/- 2.12   1.915% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  33  25.35 +/- 3.14   0.107% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  17.85 +/- 2.83   0.332% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  15.09 +/- 2.46   0.623% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  33  19.85 +/- 1.80   0.184% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.38 +/- 2.37   0.743% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  25.53 +/- 4.79   0.150% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.38 +/- 0.64  95.927% * 99.9354% (1.00 10.00   5.62 315.01) =  99.997%  kept
          HA    PRO   52 - QE    LYS+ 111  12.40 +/- 3.24   4.073% *  0.0646% (0.65  1.00   0.02   0.02) =   0.003%
    Distance limit 3.47 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 6.05, residual support = 314.8:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.25 +/- 0.88  71.371% * 98.7552% (1.00 10.00   6.05 315.01) =  99.917%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.56 +/- 1.59  23.660% *  0.2340% (0.57  1.00   0.08   0.11) =   0.078%
        T HG3   GLN   30 - QE    LYS+ 111  25.47 +/- 3.68   0.232% *  0.4807% (0.49 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QE    LYS+ 111  12.48 +/- 2.05   2.771% *  0.0220% (0.22  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QE    LYS+ 111  23.38 +/- 2.88   0.276% *  0.0857% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.58 +/- 4.21   0.260% *  0.0886% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  26.30 +/- 4.25   0.208% *  0.0979% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  26.15 +/- 4.93   0.194% *  0.0979% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.35 +/- 3.27   0.332% *  0.0406% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.99 +/- 3.40   0.265% *  0.0481% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.55 +/- 3.23   0.248% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  25.48 +/- 2.16   0.183% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.87 +/- 0.47  87.605% * 99.2615% (1.00  10.0 10.00   5.62 315.01) =  99.994%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.84 +/- 2.86   4.951% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QE    LYS+ 111  15.83 +/- 2.10   0.917% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QE    LYS+ 111  15.03 +/- 2.39   1.047% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QE    LYS+ 111  14.64 +/- 2.91   1.150% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QE    LYS+ 111  18.12 +/- 2.75   0.812% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QE    LYS+ 111  21.20 +/- 3.40   0.420% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  15.59 +/- 2.40   0.820% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  22.94 +/- 1.96   0.246% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.59 +/- 2.28   0.459% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  12.96 +/- 1.84   1.261% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  24.97 +/- 2.36   0.182% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  27.93 +/- 2.52   0.130% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.995, support = 5.44, residual support = 312.8:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.43 +/- 0.42  90.282% * 91.1915% (1.00  10.0 10.00   5.44 315.01) =  99.218%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.39 +/- 1.83   7.849% *  8.2484% (0.38   1.0  1.00   4.82  28.90) =   0.780%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  19.59 +/- 2.81   0.275% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+ 111  14.71 +/- 3.71   0.720% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 111  23.72 +/- 3.78   0.355% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.67 +/- 3.58   0.221% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  22.38 +/- 2.02   0.154% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.79 +/- 3.68   0.143% *  0.0180% (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 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   2.34 +/- 0.15  90.444% * 98.3525% (1.00  10.0 10.00   4.97 315.01) =  99.989%  kept
          HG3   PRO   93 - QE    LYS+ 111   9.61 +/- 3.44   5.279% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB3   MET   92 - QE    LYS+ 111  10.63 +/- 2.47   1.807% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+ 111  20.19 +/- 2.35   0.175% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QE    LYS+ 111  12.75 +/- 1.64   0.719% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  17.85 +/- 2.83   0.292% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  16.76 +/- 2.66   0.474% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  20.80 +/- 5.09   0.327% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.19 +/- 2.50   0.082% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.58 +/- 1.92   0.184% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.00 +/- 3.18   0.218% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.42 +/- 0.15  96.087% * 98.5544% (1.00  10.0 10.00   4.97 315.01) =  99.995%  kept
          QB    ALA   57 - QE    LYS+ 111  11.93 +/- 2.96   1.726% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - QE    LYS+ 111  25.35 +/- 3.14   0.113% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  17.85 +/- 2.83   0.351% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+ 111  17.64 +/- 2.98   0.729% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+ 111  19.98 +/- 2.79   0.223% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.94 +/- 2.42   0.546% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.00 +/- 3.18   0.225% *  0.0195% (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 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 = 0.999, support = 6.0, residual support = 237.9:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.76 +/- 0.18  83.688% * 96.6999% (1.00  10.0 10.00   6.00 238.06) =  99.933%  kept
          HB3   LEU   73 - HA    LYS+ 112  17.92 +/- 6.01   2.172% *  1.7763% (0.98   1.0  1.00   0.37   0.11) =   0.048%
        T HB    VAL   42 - HA    LYS+ 112  14.30 +/- 2.63   1.016% *  0.9147% (0.95   1.0 10.00   0.02   0.02) =   0.011%
          HB3   PRO   93 - HA    LYS+ 112   7.61 +/- 1.90   8.168% *  0.0471% (0.49   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HA    LYS+ 112  14.07 +/- 0.96   0.701% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  16.18 +/- 2.11   0.632% *  0.0915% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 112  11.80 +/- 2.62   1.578% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  16.39 +/- 1.74   0.435% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  22.83 +/- 2.15   0.168% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  16.36 +/- 1.31   0.442% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  26.11 +/- 3.53   0.128% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  18.45 +/- 2.14   0.334% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.98 +/- 1.64   0.435% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.10 +/- 4.21   0.103% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 238.0:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.39 +/- 0.39  82.733% * 99.8441% (1.00  10.0 10.00   6.08 238.06) =  99.983%  kept
          QG1   VAL   42 - HA    LYS+ 112  10.40 +/- 2.45  14.628% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.015%
          QB    ALA   47 - HA    LYS+ 112  11.87 +/- 1.68   2.639% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.71 +/- 0.73  92.159% * 99.8009% (1.00  10.0 10.00   5.76 238.06) =  99.995%  kept
          HG    LEU   63 - HA    LYS+ 112  12.38 +/- 2.22   2.653% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    LYS+ 112   9.59 +/- 0.80   3.197% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HA    LYS+ 112  20.31 +/- 3.49   1.399% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    LYS+ 112  16.49 +/- 1.55   0.592% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.847, support = 6.14, residual support = 236.1:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.68 +/- 0.29  61.827% * 40.8063% (0.76  10.0 10.00   6.49 238.06) =  62.203%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.03 +/- 0.83  27.986% * 53.3954% (1.00   1.0 10.00   5.55 238.06) =  36.843%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.44 +/- 0.72   6.781% *  5.6861% (0.38   1.0  1.00   5.67  28.90) =   0.951%  kept
          QG2   THR   94 - HA    LYS+ 112   9.09 +/- 1.41   2.684% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   71 - HA    LYS+ 112  21.34 +/- 3.76   0.270% *  0.0529% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  15.93 +/- 2.90   0.451% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 238.0:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.76 +/- 0.18  90.953% * 98.8850% (1.00  10.0 10.00   6.00 238.06) =  99.983%  kept
        T HA    LYS+ 112 - HB    VAL   42  14.30 +/- 2.63   1.105% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.010%
          HB2   HIS  122 - HB    VAL   42  10.25 +/- 4.12   4.821% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HB    THR   46 - HB2   LYS+ 112  13.74 +/- 3.07   1.645% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HB    VAL   42  12.97 +/- 1.04   0.954% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB2   LYS+ 112  16.31 +/- 2.11   0.522% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1425 (1.37, 1.37, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 112 - HB2   LYS+ 112  (1.00)  kept
          HB    VAL   42 - HB    VAL   42  (0.80)  kept
 
    Peak 1426 (0.36, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 5.51, residual support = 155.4:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  62.484% * 40.6012% (0.70  10.0 10.00   4.53  89.37) =  55.565%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.63 +/- 0.28  35.167% * 57.6594% (1.00  10.0 10.00   6.74 238.06) =  44.411%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  11.82 +/- 2.90   1.506% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.016%
        T QB    ALA   47 - HB2   LYS+ 112  12.24 +/- 1.74   0.404% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+ 112 - HB    VAL   42  15.77 +/- 3.19   0.243% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   47 - HB    VAL   42  14.63 +/- 0.98   0.197% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.0:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.79 +/- 0.18  78.211% * 98.8037% (1.00  10.0 10.00   5.76 238.06) =  99.978%  kept
          HG    LEU   63 - HB    VAL   42   8.13 +/- 2.69  11.223% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 112 - HB    VAL   42  15.40 +/- 2.98   0.712% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   63 - HB2   LYS+ 112  13.36 +/- 2.35   1.237% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB    VAL   42   8.61 +/- 1.61   3.964% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   LYS+ 112  11.25 +/- 1.08   1.606% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB    VAL   42  13.41 +/- 1.58   0.891% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  11.82 +/- 1.22   1.175% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  21.47 +/- 3.96   0.546% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.35 +/- 2.18   0.434% *  0.0246% (0.25   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 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.815, support = 6.97, residual support = 237.6:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  77.392% * 40.4572% (0.76  10.0 10.00   7.18 238.06) =  77.796%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.39 +/- 0.62  16.704% * 52.9387% (1.00  10.0 10.00   6.25 238.06) =  21.972%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.07 +/- 0.95   1.617% *  5.5950% (0.38   1.0  1.00   5.63  28.90) =   0.225%  kept
          HB3   LEU   71 - HB    VAL   42   8.16 +/- 1.99   1.845% *  0.0442% (0.84   1.0  1.00   0.02   1.33) =   0.002%
        T HB3   LYS+ 112 - HB    VAL   42  15.91 +/- 3.18   0.231% *  0.3411% (0.64   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 112 - HB    VAL   42  16.30 +/- 3.42   0.156% *  0.4463% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HB2   LYS+ 112  10.66 +/- 1.97   0.987% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB    VAL   42   9.18 +/- 0.75   0.585% *  0.0357% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HB2   LYS+ 112  22.78 +/- 4.34   0.104% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  17.14 +/- 3.31   0.181% *  0.0163% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  18.26 +/- 2.84   0.115% *  0.0167% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  17.94 +/- 2.31   0.084% *  0.0138% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 238.0:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.39 +/- 0.39  92.341% * 99.8459% (1.00  10.0 10.00   6.08 238.06) =  99.994%  kept
          HB    THR   46 - HG2   LYS+ 112  12.77 +/- 3.42   6.688% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS  122 - HG2   LYS+ 112  16.61 +/- 1.89   0.971% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 238.0:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.63 +/- 0.28  86.046% * 98.3538% (1.00  10.0 10.00   6.74 238.06) =  99.984%  kept
        T HB    VAL   42 - HG2   LYS+ 112  15.77 +/- 3.19   0.679% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PRO   93 - HG2   LYS+ 112   8.29 +/- 2.42   5.850% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HG2   LYS+ 112  18.87 +/- 6.24   1.708% *  0.0964% (0.98   1.0  1.00   0.02   0.11) =   0.002%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.35 +/- 2.40   0.820% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG2   LYS+ 112  15.87 +/- 2.41   0.468% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+ 112  12.40 +/- 3.59   2.687% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  16.75 +/- 2.33   0.415% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  24.84 +/- 3.19   0.132% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  18.01 +/- 2.49   0.375% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  27.46 +/- 3.89   0.107% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.99 +/- 1.92   0.366% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  20.24 +/- 3.18   0.257% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  28.60 +/- 4.58   0.087% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.1:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  98.450% * 99.8009% (1.00  10.0 10.00   6.98 238.06) =  99.999%  kept
          QG2   VAL  108 - HG2   LYS+ 112  11.48 +/- 1.78   0.912% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG2   LYS+ 112  12.76 +/- 2.18   0.420% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  21.19 +/- 3.85   0.107% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.51 +/- 2.31   0.112% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.889, support = 6.78, residual support = 237.5:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.68 +/- 0.28  43.531% * 53.0069% (1.00  10.0 10.00   6.57 238.06) =  53.243%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.56 +/- 0.28  49.731% * 40.5094% (0.76  10.0 10.00   7.02 238.06) =  46.485%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   8.02 +/- 0.88   1.820% *  6.3724% (0.38   1.0  1.00   6.41  28.90) =   0.268%  kept
          QG2   THR   94 - HG2   LYS+ 112  10.45 +/- 2.51   4.470% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   71 - HG2   LYS+ 112  22.36 +/- 4.09   0.108% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  16.73 +/- 3.29   0.339% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.71 +/- 0.73  96.520% * 99.8459% (1.00  10.0 10.00   5.76 238.06) =  99.997%  kept
          HB    THR   46 - HG3   LYS+ 112  12.77 +/- 3.41   2.729% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   HIS  122 - HG3   LYS+ 112  16.30 +/- 1.71   0.751% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.0:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.79 +/- 0.18  81.863% * 98.3538% (1.00  10.0 10.00   5.76 238.06) =  99.980%  kept
        T HB    VAL   42 - HG3   LYS+ 112  15.40 +/- 2.98   0.744% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.009%
          HB3   PRO   93 - HG3   LYS+ 112   7.83 +/- 2.56  10.307% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   73 - HG3   LYS+ 112  18.58 +/- 6.00   1.718% *  0.0964% (0.98   1.0  1.00   0.02   0.11) =   0.002%
          HG3   LYS+ 106 - HG3   LYS+ 112  15.59 +/- 1.94   0.701% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   LYS+ 112  16.07 +/- 2.66   0.657% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG3   LYS+ 112  12.26 +/- 3.32   2.026% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  16.48 +/- 2.35   0.477% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  24.17 +/- 2.72   0.150% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  17.47 +/- 2.20   0.418% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  19.67 +/- 3.04   0.334% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  27.12 +/- 3.85   0.124% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.78 +/- 1.88   0.384% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  28.48 +/- 4.30   0.099% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.1:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  98.765% * 99.8441% (1.00  10.0 10.00   6.98 238.06) =  99.999%  kept
          QG1   VAL   42 - HG3   LYS+ 112  11.31 +/- 2.81   0.625% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   47 - HG3   LYS+ 112  11.51 +/- 2.44   0.610% *  0.0725% (0.73   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 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 = 0.91, support = 6.13, residual support = 237.2:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.60 +/- 0.23  49.955% * 53.1825% (1.00  10.0 10.00   5.59 238.06) =  62.339%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.84 +/- 0.21  39.079% * 40.6436% (0.76  10.0  1.00   7.03 238.06) =  37.269%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.40 +/- 0.81   2.705% *  6.0622% (0.38   1.0  1.00   6.07  28.90) =   0.385%  kept
          QG2   THR   94 - HG3   LYS+ 112   9.85 +/- 2.36   7.714% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LEU   71 - HG3   LYS+ 112  22.07 +/- 3.99   0.152% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  16.25 +/- 3.52   0.396% *  0.0164% (0.31   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 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 238.0:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.03 +/- 0.83  84.478% * 99.8459% (1.00 10.00   5.55 238.06) =  99.988%  kept
          HB    THR   46 - HD2   LYS+ 112  13.17 +/- 3.50  13.480% *  0.0646% (0.65  1.00   0.02   0.02) =   0.010%
          HB2   HIS  122 - HD2   LYS+ 112  17.44 +/- 2.20   2.041% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 238.0:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.39 +/- 0.62  71.748% * 98.3538% (1.00  10.0 10.00   6.25 238.06) =  99.960%  kept
        T HB    VAL   42 - HD2   LYS+ 112  16.30 +/- 3.42   1.479% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.019%
          HB3   PRO   93 - HD2   LYS+ 112   8.48 +/- 2.46  13.184% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.009%
          HB3   LEU   73 - HD2   LYS+ 112  19.28 +/- 6.00   2.379% *  0.0964% (0.98   1.0  1.00   0.02   0.11) =   0.003%
          HG3   LYS+ 106 - HD2   LYS+ 112  16.55 +/- 3.06   1.888% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HD2   LYS+ 112  16.38 +/- 3.52   1.577% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HD2   LYS+ 112  12.95 +/- 3.54   3.473% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HD2   LYS+ 112  16.81 +/- 2.34   0.935% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HD2   LYS+ 112  20.61 +/- 3.71   0.984% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  25.24 +/- 3.33   0.292% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  18.35 +/- 2.86   0.957% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  27.89 +/- 4.14   0.226% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  18.77 +/- 2.11   0.677% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  28.94 +/- 4.74   0.200% *  0.0517% (0.53   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 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.57, residual support = 238.1:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.68 +/- 0.28  95.782% * 99.8441% (1.00  10.0 10.00   6.57 238.06) =  99.997%  kept
          QB    ALA   47 - HD2   LYS+ 112  11.58 +/- 2.66   2.471% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   42 - HD2   LYS+ 112  12.06 +/- 3.14   1.747% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 238.1:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.60 +/- 0.23  94.778% * 99.8009% (1.00  10.0 10.00   5.59 238.06) =  99.997%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.29 +/- 2.50   1.687% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HD2   LYS+ 112  11.48 +/- 2.19   2.662% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  21.25 +/- 4.14   0.411% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  18.94 +/- 2.84   0.462% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.12 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 = 14.5:
    * O T QB    ASP- 113 - HA    ASP- 113   2.41 +/- 0.11 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.45) = 100.000%  kept
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.4:
    * O T HA    ASP- 113 - QB    ASP- 113   2.41 +/- 0.11  95.122% * 99.1713% (1.00  10.0 10.00   2.00  14.45) =  99.990%  kept
        T HA    PHE   59 - QB    ASP- 113  11.06 +/- 1.74   1.313% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HA    ILE   56 - QB    ASP- 113   9.52 +/- 1.88   2.676% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QB    ASP- 113  14.70 +/- 1.33   0.521% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.19 +/- 2.10   0.260% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  25.40 +/- 2.85   0.109% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.869, support = 3.83, residual support = 52.1:
    * O T QB    GLU- 114 - HA    GLU- 114   2.31 +/- 0.15  45.697% * 56.5460% (0.97  10.0 10.00   3.54  44.03) =  85.907%  kept
        T QB    GLU- 114 - HA    LEU  115   4.23 +/- 0.42   8.502% * 26.0231% (0.44   1.0 10.00   5.18  21.22) =   7.355%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.66 +/- 0.23  31.237% *  5.3364% (0.09  10.0 10.00   6.33 224.46) =   5.542%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.74 +/- 0.27   3.069% * 11.5954% (0.20   1.0 10.00   4.48  21.22) =   1.183%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.65 +/- 1.47   5.571% *  0.0425% (0.73   1.0  1.00   0.02   0.11) =   0.008%
          HB2   LYS+ 111 - HA    LEU  115   7.63 +/- 1.68   2.126% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLU- 114  29.37 +/- 6.13   0.384% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU- 114  20.61 +/- 4.34   0.366% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    LEU  115  25.84 +/- 5.11   0.373% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  24.91 +/- 5.53   0.193% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.18 +/- 3.36   0.295% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.44 +/- 3.21   0.227% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.81 +/- 4.08   0.094% *  0.0541% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  12.71 +/- 2.08   0.376% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.53 +/- 1.76   0.665% *  0.0060% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.98 +/- 3.60   0.153% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  25.43 +/- 4.78   0.074% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  22.06 +/- 4.51   0.142% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  22.00 +/- 3.83   0.079% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.60 +/- 2.52   0.136% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  24.56 +/- 4.31   0.091% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  20.84 +/- 3.83   0.149% *  0.0036% (0.06   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.869, support = 3.87, residual support = 38.6:
    * O T QG    GLU- 114 - HA    GLU- 114   2.96 +/- 0.47  57.084% * 68.1764% (1.00  10.0 10.00   3.54  44.03) =  76.076%  kept
        T QG    GLU- 114 - HA    LEU  115   4.34 +/- 1.29  39.003% * 31.3756% (0.46   1.0 10.00   4.92  21.22) =  23.922%  kept
          HG2   MET   92 - HA    GLU- 114  16.02 +/- 2.00   0.460% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  16.17 +/- 2.32   0.563% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  14.08 +/- 1.85   0.635% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  14.03 +/- 2.08   0.877% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  30.66 +/- 5.99   0.381% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  24.04 +/- 2.28   0.114% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  20.31 +/- 2.21   0.193% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  27.22 +/- 4.97   0.379% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  29.79 +/- 3.76   0.068% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  26.66 +/- 3.17   0.090% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  32.98 +/- 5.08   0.072% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  29.86 +/- 4.32   0.080% *  0.0107% (0.16   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 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.929, support = 3.74, residual support = 41.3:
    * O T HA    GLU- 114 - QB    GLU- 114   2.31 +/- 0.15  81.263% * 59.0968% (0.97  10.0 10.00   3.54  44.03) =  87.921%  kept
        T HA    LEU  115 - QB    GLU- 114   4.23 +/- 0.42  16.251% * 40.5940% (0.66   1.0 10.00   5.18  21.22) =  12.077%  kept
        T HA    ARG+  54 - QB    GLU- 114  13.92 +/- 1.36   0.449% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - QB    GLU- 114  24.45 +/- 4.51   0.532% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  21.24 +/- 3.42   0.285% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  11.65 +/- 1.63   0.910% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  21.26 +/- 3.14   0.174% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  20.31 +/- 1.77   0.135% *  0.0570% (0.93   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 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 = 3.9, residual support = 44.0:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.05  98.142% * 99.1187% (0.96  10.0 10.00   3.90  44.03) =  99.997%  kept
        T HG3   GLU-  25 - QB    GLU- 114  26.71 +/- 5.11   0.397% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    GLU- 114  12.64 +/- 1.82   0.713% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QB    GLU- 114  13.51 +/- 2.17   0.505% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  20.16 +/- 2.22   0.128% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  26.45 +/- 3.47   0.063% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  29.39 +/- 4.46   0.051% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.898, support = 3.98, residual support = 36.7:
    * O T HA    GLU- 114 - QG    GLU- 114   2.96 +/- 0.47  57.638% * 59.1519% (1.00  10.0 10.00   3.54  44.03) =  68.059%  kept
        T HA    LEU  115 - QG    GLU- 114   4.34 +/- 1.29  39.379% * 40.6319% (0.69   1.0 10.00   4.92  21.22) =  31.940%  kept
          HA    THR   26 - QG    GLU- 114  24.20 +/- 4.06   0.391% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG    GLU- 114  11.46 +/- 1.73   1.267% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  20.01 +/- 1.81   0.192% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.08 +/- 2.75   0.204% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.00 +/- 2.91   0.246% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.77 +/- 1.52   0.683% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.95, support = 3.87, residual support = 43.2:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.05  59.370% * 90.8205% (0.96  10.0 10.00   3.90  44.03) =  97.397%  kept
          HB2   LYS+ 111 - QG    GLU- 114   4.04 +/- 1.59  24.346% *  3.0134% (0.72   1.0  1.00   0.88   0.11) =   1.325%  kept
          HB2   LEU  115 - QG    GLU- 114   4.63 +/- 1.36  14.404% *  4.8843% (0.20   1.0  1.00   5.25  21.22) =   1.271%  kept
        T HB3   GLU-  25 - QG    GLU- 114  25.28 +/- 4.91   0.372% *  0.8902% (0.94   1.0 10.00   0.02   0.02) =   0.006%
          HG2   PRO   68 - QG    GLU- 114  18.69 +/- 3.42   0.382% *  0.0816% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QG    GLU- 114  22.40 +/- 4.67   0.191% *  0.0754% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  20.10 +/- 3.27   0.118% *  0.0869% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG    GLU- 114  11.93 +/- 2.02   0.474% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.82 +/- 2.84   0.164% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  22.82 +/- 3.87   0.075% *  0.0754% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  21.31 +/- 3.48   0.105% *  0.0127% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.647, support = 5.81, residual support = 186.4:
    * O T HB2   LEU  115 - HA    LEU  115   2.66 +/- 0.23  25.241% * 54.4646% (0.84  10.0 10.00   6.33 224.46) =  72.667%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.71 +/- 0.22  23.353% *  8.4904% (0.13  10.0  1.00   4.76 168.40) =  10.481%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.31 +/- 0.15  36.489% *  4.5994% (0.07  10.0 10.00   3.54  44.03) =   8.871%  kept
        T QB    GLU- 114 - HA    LEU  115   4.23 +/- 0.42   6.797% * 16.8104% (0.26   1.0 10.00   5.18  21.22) =   6.039%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.74 +/- 0.27   2.447% * 14.9018% (0.23   1.0 10.00   4.48  21.22) =   1.928%  kept
        T HB2   LEU  115 - HA    ARG+  54  11.42 +/- 1.67   0.378% *  0.3054% (0.47   1.0 10.00   0.02   0.02) =   0.006%
          HG3   PRO   58 - HA    ARG+  54   8.18 +/- 2.19   2.188% *  0.0305% (0.47   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - HA    LEU  115  10.53 +/- 1.76   0.532% *  0.0543% (0.83   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLU- 114 - HA    ARG+  54  13.92 +/- 1.36   0.186% *  0.0943% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    LEU  115  15.13 +/- 2.92   0.191% *  0.0436% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.18 +/- 3.36   0.248% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  12.71 +/- 2.08   0.302% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.44 +/- 3.21   0.177% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  16.35 +/- 2.95   0.137% *  0.0245% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  18.62 +/- 4.35   0.108% *  0.0287% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  19.22 +/- 4.78   0.212% *  0.0137% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  18.19 +/- 5.08   0.153% *  0.0161% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.94 +/- 1.27   0.145% *  0.0151% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.61 +/- 4.34   0.282% *  0.0067% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  18.95 +/- 3.27   0.101% *  0.0119% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  20.89 +/- 4.10   0.104% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  22.17 +/- 4.76   0.065% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.81 +/- 4.08   0.076% *  0.0056% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.47 +/- 0.95   0.087% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.501, support = 6.32, residual support = 218.6:
    * O T HG    LEU  115 - HA    LEU  115   3.54 +/- 0.49  23.094% * 56.2178% (0.72  10.0 10.00   6.19 224.46) =  52.645%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.42 +/- 0.27  54.838% * 20.0033% (0.26  10.0 10.00   6.62 224.46) =  44.480%  kept
        T HG    LEU  115 - HA    GLU- 114   6.64 +/- 0.84   3.327% * 15.3815% (0.20   1.0 10.00   4.00  21.22) =   2.075%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.32 +/- 0.30   3.379% *  5.4730% (0.07   1.0 10.00   3.82  21.22) =   0.750%  kept
        T HG    LEU  115 - HA    ARG+  54  10.94 +/- 1.80   0.888% *  0.3152% (0.41   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   LEU   40 - HA    LEU  115  15.58 +/- 2.10   0.280% *  0.6424% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T QG2   THR   26 - HA    LEU  115  19.31 +/- 3.63   0.643% *  0.2211% (0.28   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA  120 - HA    LEU  115   7.60 +/- 0.61   1.989% *  0.0562% (0.72   1.0  1.00   0.02   0.02) =   0.005%
        T HG    LEU   67 - HA    LEU  115  15.05 +/- 3.54   0.358% *  0.2664% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LEU  115 - HA    ARG+  54  11.34 +/- 1.64   0.652% *  0.1122% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HA    LEU  115  14.02 +/- 1.88   0.350% *  0.2000% (0.26   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU   40 - HA    ARG+  54  21.58 +/- 4.44   0.127% *  0.3602% (0.46   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   67 - HA    ARG+  54  16.81 +/- 3.33   0.250% *  0.1494% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HA    GLU- 114   7.54 +/- 0.93   2.237% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU- 114  18.69 +/- 2.83   0.184% *  0.1758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   8.49 +/- 1.25   1.590% *  0.0144% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   26 - HA    GLU- 114  22.43 +/- 4.21   0.373% *  0.0605% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    ARG+  54  15.29 +/- 3.46   0.977% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  20.22 +/- 4.43   0.184% *  0.1122% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    GLU- 114  17.10 +/- 2.62   0.267% *  0.0547% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    ARG+  54  15.51 +/- 2.00   0.318% *  0.0315% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  17.21 +/- 2.67   0.246% *  0.0393% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  13.18 +/- 3.21   0.719% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   9.50 +/- 2.19   1.470% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.44 +/- 1.87   0.308% *  0.0180% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  20.08 +/- 4.02   0.224% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  18.89 +/- 2.52   0.277% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  18.71 +/- 3.91   0.183% *  0.0073% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.43 +/- 2.93   0.118% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.15 +/- 2.01   0.149% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.797, support = 6.17, residual support = 210.9:
    *   T QD1   LEU  115 - HA    LEU  115   3.72 +/- 0.57  64.116% * 76.4428% (0.84 10.00   6.33 224.46) =  93.418%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.35 +/- 0.75  14.855% * 20.9152% (0.23 10.00   4.43  21.22) =   5.922%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.13 +/- 1.86  13.653% *  2.5094% (0.47 10.00   0.12   0.02) =   0.653%  kept
          QG1   VAL   75 - HA    LEU  115  11.64 +/- 1.36   2.649% *  0.0723% (0.79  1.00   0.02   0.02) =   0.004%
          QG1   VAL   75 - HA    ARG+  54  11.98 +/- 2.06   3.553% *  0.0405% (0.44  1.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    GLU- 114  14.87 +/- 1.20   1.173% *  0.0198% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.765, support = 7.25, residual support = 209.7:
    *   T QD2   LEU  115 - HA    LEU  115   3.12 +/- 0.44  45.557% * 74.2163% (0.81 10.00   7.49 224.46) =  92.799%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.59 +/- 0.77  12.078% * 20.3060% (0.22 10.00   4.41  21.22) =   6.731%  kept
        T QD2   LEU  115 - HA    ARG+  54   9.10 +/- 2.04   2.937% *  4.6168% (0.45 10.00   0.22   0.02) =   0.372%  kept
          QD1   LEU   63 - HA    LEU  115   8.25 +/- 2.66   6.478% *  0.3291% (0.79  1.00   0.09   0.02) =   0.059%
          QD1   LEU   73 - HA    LEU  115  13.21 +/- 4.94  11.252% *  0.0727% (0.79  1.00   0.02   0.02) =   0.022%
          QD2   LEU   63 - HA    LEU  115   9.08 +/- 2.53   5.210% *  0.0289% (0.31  1.00   0.02   0.02) =   0.004%
          QD1   LEU   63 - HA    ARG+  54  10.05 +/- 2.79   3.181% *  0.0408% (0.44  1.00   0.02   0.02) =   0.004%
          QD1   LEU  104 - HA    LEU  115  12.05 +/- 2.48   1.135% *  0.0588% (0.64  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HA    ARG+  54  15.29 +/- 4.50   1.448% *  0.0408% (0.44  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    ARG+  54  11.20 +/- 3.16   3.475% *  0.0162% (0.18  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    GLU- 114  11.47 +/- 2.70   1.422% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  115  18.11 +/- 2.70   0.378% *  0.0727% (0.79  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    GLU- 114  16.55 +/- 5.08   1.193% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  17.27 +/- 2.68   0.386% *  0.0408% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  16.38 +/- 2.87   0.523% *  0.0237% (0.26  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  12.22 +/- 2.67   1.489% *  0.0079% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  14.02 +/- 2.32   0.659% *  0.0161% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  19.51 +/- 3.85   0.270% *  0.0330% (0.36  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.12 +/- 2.56   0.388% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  21.16 +/- 2.57   0.219% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  19.07 +/- 3.00   0.324% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.814, support = 6.25, residual support = 215.7:
    * O T HA    LEU  115 - HB2   LEU  115   2.66 +/- 0.23  87.366% * 70.2377% (0.84  10.0 10.00   6.33 224.46) =  95.685%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.74 +/- 0.27   9.602% * 28.6837% (0.34   1.0 10.00   4.48  21.22) =   4.295%  kept
        T HA    ARG+  54 - HB2   LEU  115  11.42 +/- 1.67   1.584% *  0.7762% (0.92   1.0 10.00   0.02   0.02) =   0.019%
          HA    ASN   28 - HB2   LEU  115  21.51 +/- 3.60   0.435% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.70 +/- 1.16   0.329% *  0.0702% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  21.69 +/- 3.02   0.222% *  0.0578% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  20.86 +/- 2.03   0.204% *  0.0346% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.15 +/- 1.77   0.163% *  0.0409% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  27.19 +/- 2.99   0.095% *  0.0260% (0.31   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 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 = 0.565, support = 6.21, residual support = 224.5:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  75.311% * 25.8976% (0.31  10.0 10.00   6.30 224.46) =  54.115%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.70 +/- 0.29  22.719% * 72.7830% (0.87  10.0 10.00   6.09 224.46) =  45.879%  kept
        T HB3   LEU   40 - HB2   LEU  115  16.66 +/- 2.29   0.113% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - HB2   LEU  115   9.00 +/- 0.80   0.613% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU  115  15.06 +/- 1.73   0.139% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HB2   LEU  115  19.61 +/- 3.79   0.264% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  16.89 +/- 2.98   0.144% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.74 +/- 1.22   0.378% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  15.42 +/- 3.07   0.159% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.12 +/- 2.09   0.160% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 224.5:
    * O T QD1   LEU  115 - HB2   LEU  115   2.47 +/- 0.21  98.784% * 99.9055% (1.00  10.0 10.00   6.11 224.46) =  99.999%  kept
          QG1   VAL   75 - HB2   LEU  115  11.32 +/- 1.19   1.216% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 7.28, residual support = 224.3:
    * O T QD2   LEU  115 - HB2   LEU  115   2.72 +/- 0.48  71.534% * 99.2167% (0.97  10.0 10.00   7.28 224.46) =  99.936%  kept
          QD1   LEU   63 - HB2   LEU  115   8.39 +/- 2.37   6.118% *  0.4399% (0.95   1.0  1.00   0.09   0.02) =   0.038%
          QD1   LEU   73 - HB2   LEU  115  13.34 +/- 5.36  16.115% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.022%
          QD2   LEU   63 - HB2   LEU  115   9.33 +/- 2.19   4.292% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   LEU  115  13.28 +/- 1.99   0.831% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  17.74 +/- 2.70   0.506% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  16.06 +/- 2.92   0.604% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.692, support = 6.02, residual support = 209.1:
    * O T HA    LEU  115 - HG    LEU  115   3.54 +/- 0.49  61.335% * 69.7478% (0.72  10.0 10.00   6.19 224.46) =  92.460%  kept
        T HA    GLU- 114 - HG    LEU  115   6.64 +/- 0.84  12.095% * 28.4836% (0.30   1.0 10.00   4.00  21.22) =   7.446%  kept
        T HA    ARG+  54 - HG    LEU  115  10.94 +/- 1.80   4.200% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.070%
        T HA    LEU  115 - HG    LEU   40  14.02 +/- 1.88   1.353% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.007%
        T HA    ARG+  54 - HG    LEU   40  20.22 +/- 4.43   0.817% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.005%
          HA    ALA   34 - HG    LEU   40   9.24 +/- 1.43   8.261% *  0.0195% (0.20   1.0  1.00   0.02   0.46) =   0.003%
        T HA    GLU- 114 - HG    LEU   40  17.10 +/- 2.62   1.223% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   28 - HG    LEU  115  21.43 +/- 3.85   0.823% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU   40  14.44 +/- 2.36   1.837% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU   40  16.18 +/- 6.91   1.901% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU  115  17.06 +/- 1.43   0.636% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  11.80 +/- 2.06   2.823% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG    LEU  115  21.47 +/- 2.88   0.356% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  21.34 +/- 2.25   0.337% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.45 +/- 1.67   0.273% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.08 +/- 1.21   1.244% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  26.95 +/- 2.89   0.163% *  0.0258% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.68 +/- 2.61   0.323% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.862, support = 6.07, residual support = 222.5:
    * O T HB2   LEU  115 - HG    LEU  115   2.70 +/- 0.29  68.403% * 92.0742% (0.87  10.0 10.00   6.09 224.46) =  99.043%  kept
          QB    GLU- 114 - HG    LEU  115   5.87 +/- 0.90   9.276% *  6.2919% (0.27   1.0  1.00   4.43  21.22) =   0.918%  kept
        T HB2   LEU   67 - HG    LEU   40   9.63 +/- 3.66   3.451% *  0.2504% (0.24   1.0 10.00   0.02   0.02) =   0.014%
          HG3   PRO   58 - HG    LEU  115   8.35 +/- 2.36   8.120% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.012%
        T HB2   LEU   67 - HG    LEU  115  14.66 +/- 2.75   0.679% *  0.7373% (0.69   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LEU  115 - HG    LEU   40  15.06 +/- 1.73   0.500% *  0.3127% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HG    LEU  115  19.15 +/- 3.98   2.688% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HG    LEU  115  18.00 +/- 4.78   0.641% *  0.0484% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  10.84 +/- 3.75   1.861% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.69 +/- 1.66   0.760% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  17.16 +/- 2.82   0.379% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  14.44 +/- 4.48   0.910% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.76 +/- 2.91   0.903% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  18.76 +/- 3.22   0.296% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.22 +/- 2.46   0.858% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  22.07 +/- 4.86   0.275% *  0.0087% (0.08   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 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.98, residual support = 224.5:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  97.996% * 99.5358% (0.87  10.0 10.00   5.98 224.46) =  99.997%  kept
        T QD1   LEU  115 - HG    LEU   40  12.41 +/- 1.82   0.607% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HG    LEU  115  11.44 +/- 1.73   0.732% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU   40  11.49 +/- 1.08   0.665% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.1, residual support = 224.4:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  73.490% * 98.7362% (0.84  10.0 10.00   7.11 224.46) =  99.954%  kept
          QD1   LEU   63 - HG    LEU  115   7.67 +/- 2.58   5.347% *  0.4378% (0.82   1.0  1.00   0.09   0.02) =   0.032%
          QD1   LEU   73 - HG    LEU  115  13.34 +/- 5.09   3.406% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.005%
        T QD2   LEU  115 - HG    LEU   40  12.21 +/- 1.55   0.453% *  0.3354% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HG    LEU  115   8.66 +/- 2.60   3.816% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HG    LEU   40   6.79 +/- 1.28   3.824% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU   40   8.29 +/- 2.47   2.235% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU   40   7.59 +/- 2.48   5.118% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40   9.99 +/- 1.55   1.006% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.42 +/- 1.84   0.346% *  0.0782% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  17.91 +/- 2.77   0.166% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  16.13 +/- 3.35   0.230% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  16.48 +/- 2.79   0.226% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.58 +/- 3.49   0.336% *  0.0107% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.794, support = 6.09, residual support = 204.3:
    *   T HA    LEU  115 - QD1   LEU  115   3.72 +/- 0.57  64.669% * 67.6867% (0.84 10.00   6.33 224.46) =  90.209%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.35 +/- 0.75  14.990% * 27.6420% (0.34 10.00   4.43  21.22) =   8.540%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.13 +/- 1.86  13.780% *  4.3799% (0.92 10.00   0.12   0.02) =   1.244%  kept
          HA    ASN   28 - QD1   LEU  115  17.82 +/- 3.37   2.341% *  0.0703% (0.87  1.00   0.02   0.02) =   0.003%
          HA    ALA  124 - QD1   LEU  115  15.01 +/- 1.09   1.170% *  0.0677% (0.84  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QD1   LEU  115  17.87 +/- 2.63   1.116% *  0.0557% (0.69  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD1   LEU  115  17.07 +/- 2.12   0.923% *  0.0333% (0.41  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  18.91 +/- 1.67   0.594% *  0.0394% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  22.56 +/- 2.66   0.418% *  0.0250% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 0.988, support = 6.07, residual support = 220.1:
    * O T HB2   LEU  115 - QD1   LEU  115   2.47 +/- 0.21  65.687% * 90.1455% (1.00  10.0 10.00   6.11 224.46) =  97.896%  kept
          QB    GLU- 114 - QD1   LEU  115   5.35 +/- 0.90  14.652% *  7.0951% (0.31   1.0  1.00   5.10  21.22) =   1.719%  kept
          HG3   PRO   58 - QD1   LEU  115   6.80 +/- 1.99   9.024% *  2.5405% (1.00   1.0  1.00   0.56   0.02) =   0.379%  kept
          HB    ILE   19 - QD1   LEU  115  15.73 +/- 3.62   6.644% *  0.0338% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   67 - QD1   LEU  115  11.78 +/- 1.79   0.867% *  0.0722% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   9.62 +/- 1.78   1.605% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   LEU  115  14.66 +/- 4.34   0.835% *  0.0474% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU  115  13.99 +/- 2.35   0.687% *  0.0404% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.756, support = 6.07, residual support = 224.4:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  56.258% * 72.7830% (0.87  10.0 10.00   5.98 224.46) =  80.090%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.46 +/- 0.38  39.286% * 25.8976% (0.31  10.0 10.00   6.41 224.46) =  19.900%  kept
        T HB3   LEU   40 - QD1   LEU  115  13.66 +/- 2.19   0.268% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QD1   LEU  115   8.07 +/- 0.95   1.227% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - QD1   LEU  115  12.41 +/- 1.82   0.337% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD1   LEU  115  12.99 +/- 3.18   0.531% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   LEU  115  11.83 +/- 2.32   0.476% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  15.93 +/- 3.21   0.450% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.17 +/- 1.89   0.530% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.71 +/- 0.90   0.636% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 7.27, residual support = 224.3:
    * O T QD2   LEU  115 - QD1   LEU  115   2.03 +/- 0.06  68.149% * 99.2167% (0.97  10.0 10.00   7.27 224.46) =  99.919%  kept
          QD1   LEU   63 - QD1   LEU  115   6.23 +/- 1.86   8.616% *  0.4399% (0.95   1.0  1.00   0.09   0.02) =   0.056%
          QD1   LEU   73 - QD1   LEU  115  10.80 +/- 4.62  12.882% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.019%
          QD2   LEU   63 - QD1   LEU  115   6.97 +/- 1.94   9.266% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  104 - QD1   LEU  115  11.55 +/- 1.59   0.442% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD1   LEU  115  14.42 +/- 2.24   0.248% *  0.0973% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  13.29 +/- 2.41   0.396% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.76, support = 7.13, residual support = 202.6:
    *   T HA    LEU  115 - QD2   LEU  115   3.12 +/- 0.44  71.717% * 64.6146% (0.81 10.00   7.49 224.46) =  89.348%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.59 +/- 0.77  19.373% * 26.3874% (0.33 10.00   4.41  21.22) =   9.857%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.10 +/- 2.04   5.061% *  7.9230% (0.89 10.00   0.22   0.02) =   0.773%  kept
          HA    ASN   28 - QD2   LEU  115  17.73 +/- 3.84   1.218% *  0.8640% (0.84  1.00   0.26   0.02) =   0.020%
          HA    ALA  124 - QD2   LEU  115  13.62 +/- 1.43   1.064% *  0.0646% (0.81  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD2   LEU  115  17.66 +/- 2.70   0.520% *  0.0531% (0.66  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD2   LEU  115  18.64 +/- 1.67   0.381% *  0.0377% (0.47  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  18.31 +/- 2.12   0.436% *  0.0318% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  22.23 +/- 2.73   0.230% *  0.0239% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.953, support = 7.2, residual support = 219.2:
    * O T HB2   LEU  115 - QD2   LEU  115   2.72 +/- 0.48  60.987% * 90.2979% (0.97  10.0 10.00   7.28 224.46) =  97.495%  kept
          QB    GLU- 114 - QD2   LEU  115   5.15 +/- 1.06  14.103% *  7.0934% (0.30   1.0  1.00   5.09  21.22) =   1.771%  kept
          HG3   PRO   58 - QD2   LEU  115   6.62 +/- 2.14  17.231% *  2.3893% (0.96   1.0  1.00   0.53   0.02) =   0.729%  kept
          HB    ILE   19 - QD2   LEU  115  15.72 +/- 3.50   3.333% *  0.0339% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - QD2   LEU  115  12.09 +/- 1.97   1.081% *  0.0723% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD2   LEU  115  10.58 +/- 1.90   1.877% *  0.0251% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  14.80 +/- 3.80   0.731% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  14.05 +/- 2.14   0.658% *  0.0405% (0.43   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.756, support = 7.16, residual support = 224.0:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  62.625% * 69.8420% (0.84  10.0 10.00   7.11 224.46) =  84.787%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.79 +/- 0.41  31.136% * 24.8511% (0.30  10.0 10.00   7.56 224.46) =  15.000%  kept
          QB    ALA  120 - QD2   LEU  115   6.75 +/- 1.15   2.585% *  4.1106% (0.84   1.0  1.00   1.18   0.02) =   0.206%  kept
        T HB3   LEU   40 - QD2   LEU  115  13.46 +/- 1.69   0.286% *  0.7980% (0.96   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - QD2   LEU  115  12.21 +/- 1.55   0.388% *  0.2485% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD2   LEU  115  13.78 +/- 2.56   0.393% *  0.0488% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.51 +/- 0.89   1.046% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  15.99 +/- 3.33   0.682% *  0.0275% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  12.08 +/- 2.39   0.446% *  0.0331% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.71 +/- 1.41   0.413% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.27, residual support = 224.5:
    * O T QD1   LEU  115 - QD2   LEU  115   2.03 +/- 0.06  98.874% * 99.9055% (0.97  10.0 10.00   7.27 224.46) =  99.999%  kept
          QG1   VAL   75 - QD2   LEU  115   9.85 +/- 1.40   1.126% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 119.7:
    * O T HB2   GLN  116 - HA    GLN  116   2.83 +/- 0.19  77.958% * 98.6426% (1.00  10.0 10.00   5.18 119.68) =  99.981%  kept
          HB2   PRO   58 - HA    GLN  116   7.89 +/- 2.32  20.036% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.015%
        T HB2   GLU- 100 - HA    GLN  116  22.32 +/- 2.45   0.179% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  12.09 +/- 2.53   1.410% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLN   32 - HA    GLN  116  23.88 +/- 3.40   0.219% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLN  116  21.87 +/- 2.50   0.198% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.13, residual support = 119.5:
    * O T HG2   GLN  116 - HA    GLN  116   2.70 +/- 0.55  94.357% * 97.8556% (1.00  10.0 10.00   5.14 119.68) =  99.876%  kept
          HB3   PHE   95 - HA    GLN  116   9.00 +/- 1.57   5.402% *  2.1172% (0.99   1.0  1.00   0.44   0.02) =   0.124%  kept
          HG2   GLU-  25 - HA    GLN  116  28.10 +/- 5.47   0.241% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.17, residual support = 119.7:
    * O T HA    GLN  116 - HB2   GLN  116   2.83 +/- 0.19  97.208% * 98.1197% (1.00  10.0 10.00   5.18 119.68) =  99.996%  kept
        T HA    GLU-  29 - HB2   GLN  116  27.86 +/- 4.30   0.197% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   GLN  116  27.92 +/- 3.48   0.156% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  18.49 +/- 3.13   0.565% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLN  116  20.58 +/- 4.36   0.528% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  23.16 +/- 5.37   0.640% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  20.30 +/- 3.22   0.438% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  25.37 +/- 2.36   0.156% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  28.19 +/- 2.90   0.114% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 119.7:
    * O T HG2   GLN  116 - HB2   GLN  116   2.69 +/- 0.22  97.733% * 99.8732% (1.00  10.0 10.00   5.68 119.68) =  99.998%  kept
          HB3   PHE   95 - HB2   GLN  116  10.34 +/- 1.09   1.995% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HB2   GLN  116  29.80 +/- 5.70   0.272% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 119.7:
    * O T HA    GLN  116 - HG2   GLN  116   2.70 +/- 0.55  97.339% * 99.5202% (1.00  10.0 10.00   5.14 119.68) =  99.998%  kept
          HA    VAL   70 - HG2   GLN  116  17.31 +/- 3.30   0.749% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLN  116  19.60 +/- 4.27   0.447% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  27.20 +/- 4.68   0.250% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  27.15 +/- 3.59   0.196% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  20.26 +/- 3.93   0.417% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  24.50 +/- 2.16   0.186% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  22.00 +/- 4.98   0.319% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  28.53 +/- 3.04   0.097% *  0.0604% (0.61   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 119.7:
    * O T HB2   GLN  116 - HG2   GLN  116   2.69 +/- 0.22  82.691% * 99.6852% (1.00  10.0 10.00   5.68 119.68) =  99.988%  kept
          HB2   PRO   58 - HG2   GLN  116   8.36 +/- 2.99  15.992% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          HB3   PHE   97 - HG2   GLN  116  13.72 +/- 2.31   0.870% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG2   GLN  116  23.90 +/- 2.24   0.130% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  22.92 +/- 2.46   0.168% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  25.16 +/- 3.61   0.148% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 1.28, residual support = 15.4:
    * O T QB    SER  117 - HA    SER  117   2.43 +/- 0.10  84.349% * 93.1246% (1.00  10.0 10.00   1.28  15.42) =  99.604%  kept
          HA    ALA  120 - HA    SER  117   5.83 +/- 0.51   6.895% *  2.8714% (0.41   1.0  1.00   1.50   5.22) =   0.251%  kept
          HA    LYS+ 121 - HA    SER  117   7.13 +/- 1.12   4.857% *  2.2807% (0.84   1.0  1.00   0.59   0.02) =   0.140%  kept
        T HA2   GLY   51 - HA    SER  117  21.35 +/- 2.33   0.150% *  0.8352% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QB    SER   48 - HA    SER  117  22.29 +/- 2.91   0.158% *  0.6024% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HA    SER  117  12.82 +/- 1.53   0.675% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  23.54 +/- 6.11   2.523% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.36 +/- 1.38   0.321% *  0.0712% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  26.36 +/- 2.30   0.073% *  0.1437% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.28, residual support = 15.4:
    * O T HA    SER  117 - QB    SER  117   2.43 +/- 0.10  79.351% * 99.1287% (1.00  10.0 10.00   1.28  15.42) =  99.994%  kept
          HA    ASP-  62 - QB    SER   48  15.33 +/- 5.12  12.559% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   48   8.75 +/- 1.00   2.145% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   26 - QB    SER  117  24.21 +/- 4.96   0.515% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER  117 - QB    SER   48  22.29 +/- 2.91   0.132% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.04 +/- 1.96   0.200% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.32 +/- 3.91   3.062% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.88 +/- 1.00   0.466% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.13 +/- 1.35   0.567% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  26.36 +/- 2.30   0.069% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  19.57 +/- 5.35   0.273% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.73 +/- 2.74   0.214% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  21.11 +/- 7.13   0.216% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  23.22 +/- 2.33   0.100% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.96 +/- 3.61   0.131% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.74, residual support = 261.5:
    * O T HB    ILE  119 - HA    ILE  119   2.94 +/- 0.10  84.354% * 99.2403% (0.87  10.0 10.00   6.74 261.55) =  99.984%  kept
          HG3   GLN   30 - HA    ILE  119  19.10 +/- 4.53   5.584% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - HA    ILE  119  18.14 +/- 4.10   2.926% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - HA    ILE  119  15.23 +/- 4.16   1.252% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    ILE  119  13.18 +/- 1.75   1.293% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ILE  119  15.15 +/- 3.11   0.774% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    ILE  119  16.57 +/- 2.34   0.726% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    ILE  119  19.61 +/- 4.84   0.404% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    ILE  119  13.87 +/- 2.17   1.198% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  18.91 +/- 4.02   0.611% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  18.77 +/- 3.71   0.519% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  25.25 +/- 5.27   0.358% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 261.5:
    * O T QG2   ILE  119 - HA    ILE  119   2.67 +/- 0.28  72.645% * 99.7168% (1.00  10.0 10.00   6.94 261.55) =  99.979%  kept
          QD2   LEU   71 - HA    ILE  119  12.90 +/- 3.77  13.069% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.016%
          QD1   LEU   67 - HA    ILE  119  10.17 +/- 4.16   7.797% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    ILE  119  14.16 +/- 3.00   0.868% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    ILE  119   9.83 +/- 3.82   3.684% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    ILE  119  12.26 +/- 3.63   1.503% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  119  16.57 +/- 2.71   0.433% *  0.0374% (0.38   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 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.97, residual support = 261.5:
    * O T HG12  ILE  119 - HA    ILE  119   2.57 +/- 0.42  86.890% * 99.4466% (1.00  10.0 10.00   6.97 261.55) =  99.993%  kept
          HB2   ASP- 105 - HA    ILE  119   9.74 +/- 4.90   6.861% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    ILE  119  12.73 +/- 2.79   1.555% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    ILE  119  11.91 +/- 2.05   1.274% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ILE  119  23.09 +/- 4.92   0.939% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ILE  119  18.44 +/- 2.59   0.921% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ILE  119  22.01 +/- 2.61   0.424% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  20.54 +/- 3.75   0.338% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  18.62 +/- 3.27   0.350% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  20.41 +/- 2.27   0.311% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  26.88 +/- 4.50   0.136% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 6.85, residual support = 260.1:
    * O T HG13  ILE  119 - HA    ILE  119   2.85 +/- 0.45  70.943% * 94.1564% (1.00  10.0 10.00   6.87 261.55) =  99.438%  kept
          HG2   LYS+ 121 - HA    ILE  119   7.11 +/- 0.37   5.919% *  4.8652% (0.31   1.0  1.00   3.35   7.60) =   0.429%  kept
          QG1   VAL  107 - HA    ILE  119   7.24 +/- 3.20  11.989% *  0.7170% (0.15   1.0  1.00   0.99   0.02) =   0.128%  kept
          QG1   VAL   24 - HA    ILE  119  18.42 +/- 5.02   3.395% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HA    ILE  119  12.87 +/- 1.67   1.471% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HA    ILE  119   8.59 +/- 2.64   4.827% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    ILE  119  16.65 +/- 3.09   0.961% *  0.0647% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ILE  119  18.10 +/- 3.21   0.495% *  0.0939% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.15, residual support = 261.5:
    *   T QD1   ILE  119 - HA    ILE  119   3.46 +/- 0.49  88.142% * 99.2846% (0.97 10.00   6.15 261.55) =  99.982%  kept
        T HB    VAL   75 - HA    ILE  119  14.96 +/- 1.87   1.441% *  0.5824% (0.57 10.00   0.02   0.02) =   0.010%
          HB2   LEU  104 - HA    ILE  119  12.25 +/- 5.44   7.991% *  0.0747% (0.73  1.00   0.02   0.02) =   0.007%
          QG2   VAL  108 - HA    ILE  119  12.70 +/- 2.70   2.426% *  0.0582% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 3.37 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.6, residual support = 235.5:
    * O T HA    ILE  119 - HB    ILE  119   2.94 +/- 0.10  85.732% * 50.8167% (0.87  10.0 10.00   6.74 261.55) =  87.674%  kept
        T HA    THR  118 - HB    ILE  119   5.59 +/- 0.19  12.487% * 49.0416% (0.84   1.0 10.00   5.64  50.58) =  12.324%  kept
          HA2   GLY  109 - HB    ILE  119  14.53 +/- 2.13   0.880% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    ILE  119  21.97 +/- 2.58   0.278% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  22.84 +/- 2.74   0.240% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  18.41 +/- 1.81   0.383% *  0.0089% (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 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 261.5:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.02  94.237% * 99.7168% (0.87  10.0 10.00   6.42 261.55) =  99.997%  kept
          QD2   LEU   71 - HB    ILE  119  14.57 +/- 3.50   2.096% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB    ILE  119  11.51 +/- 3.74   1.662% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.38 +/- 2.20   0.304% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.48 +/- 2.99   0.892% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.43 +/- 2.77   0.502% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.57 +/- 3.36   0.307% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.05, residual support = 261.5:
    * O T HG12  ILE  119 - HB    ILE  119   2.59 +/- 0.18  92.896% * 99.4466% (0.87  10.0 10.00   6.05 261.55) =  99.996%  kept
          HB3   PHE   72 - HB    ILE  119  14.41 +/- 3.10   1.351% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB    ILE  119  10.85 +/- 3.85   2.563% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB    ILE  119  12.75 +/- 1.84   0.961% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB    ILE  119  25.10 +/- 4.81   0.540% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  18.00 +/- 3.14   0.566% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.22 +/- 3.91   0.295% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  21.99 +/- 2.76   0.200% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  20.38 +/- 3.39   0.307% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  21.25 +/- 2.43   0.192% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  28.63 +/- 4.71   0.129% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.863, support = 6.0, residual support = 260.0:
    * O T HG13  ILE  119 - HB    ILE  119   2.81 +/- 0.32  77.305% * 95.3997% (0.87  10.0 10.00   6.03 261.55) =  99.408%  kept
        T QG1   VAL  107 - HB    ILE  119   7.20 +/- 2.67  10.267% *  4.1736% (0.13   1.0 10.00   0.57   0.02) =   0.578%  kept
        T QG2   VAL  107 - HB    ILE  119   8.14 +/- 2.32   5.486% *  0.1472% (0.13   1.0 10.00   0.02   0.02) =   0.011%
          HD3   LYS+ 112 - HB    ILE  119  10.90 +/- 1.73   1.851% *  0.0502% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HB    ILE  119   8.78 +/- 0.37   2.789% *  0.0294% (0.27   1.0  1.00   0.02   7.60) =   0.001%
          QG1   VAL   24 - HB    ILE  119  19.63 +/- 5.20   1.490% *  0.0392% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB    ILE  119  17.90 +/- 3.35   0.530% *  0.0655% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  20.15 +/- 2.93   0.282% *  0.0952% (0.87   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 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.57, residual support = 261.5:
    * O T QD1   ILE  119 - HB    ILE  119   2.47 +/- 0.40  97.187% * 99.2846% (0.84  10.0 10.00   5.57 261.55) =  99.991%  kept
        T QG2   VAL  108 - HB    ILE  119  12.74 +/- 2.28   1.262% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LEU  104 - HB    ILE  119  14.09 +/- 4.23   1.089% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  16.06 +/- 1.64   0.462% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.8, residual support = 240.7:
    * O T HA    ILE  119 - QG2   ILE  119   2.67 +/- 0.28  88.013% * 50.8167% (1.00  10.0 10.00   6.94 261.55) =  90.110%  kept
        T HA    THR  118 - QG2   ILE  119   5.83 +/- 0.26  10.008% * 49.0416% (0.97   1.0 10.00   5.48  50.58) =   9.889%  kept
          HA2   GLY  109 - QG2   ILE  119  13.87 +/- 1.77   0.859% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   ILE  119  18.88 +/- 2.75   0.367% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  20.08 +/- 2.56   0.277% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  15.78 +/- 1.81   0.475% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 261.5:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.02  92.689% * 99.2403% (0.87  10.0 10.00   6.42 261.55) =  99.994%  kept
          HG3   GLN   30 - QG2   ILE  119  17.35 +/- 3.93   1.210% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG2   ILE  119  16.66 +/- 3.48   0.809% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG2   ILE  119  13.05 +/- 3.57   0.801% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QG2   ILE  119  11.28 +/- 1.56   1.088% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - QG2   ILE  119  12.32 +/- 2.18   1.364% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  13.33 +/- 2.20   0.604% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  14.22 +/- 1.99   0.354% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  18.10 +/- 3.67   0.204% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  16.26 +/- 3.14   0.329% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  16.55 +/- 3.22   0.304% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  22.32 +/- 4.97   0.244% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.34, residual support = 261.5:
    * O T HG12  ILE  119 - QG2   ILE  119   3.14 +/- 0.22  83.473% * 99.4466% (1.00  10.0 10.00   6.35 261.55) =  99.989%  kept
          HB3   PHE   72 - QG2   ILE  119  11.99 +/- 2.41   2.960% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ASP- 105 - QG2   ILE  119  10.17 +/- 3.39   5.104% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - QG2   ILE  119  11.13 +/- 1.86   2.402% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   92 - QG2   ILE  119  16.29 +/- 2.91   2.236% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - QG2   ILE  119  19.27 +/- 2.62   0.742% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QG2   ILE  119  20.69 +/- 4.41   0.725% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE  119  16.31 +/- 2.73   0.819% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   ILE  119  17.90 +/- 3.16   0.592% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  18.16 +/- 2.53   0.588% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  23.11 +/- 4.03   0.360% *  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 = 6.31, residual support = 261.5:
    * O T HG13  ILE  119 - QG2   ILE  119   2.53 +/- 0.28  80.819% * 99.6771% (1.00  10.0 10.00   6.31 261.55) =  99.992%  kept
          QB    ALA   20 - QG2   ILE  119  14.56 +/- 3.09   2.875% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG2   ILE  119   7.65 +/- 0.27   3.227% *  0.0308% (0.31   1.0  1.00   0.02   7.60) =   0.001%
          HD3   LYS+ 112 - QG2   ILE  119  10.40 +/- 1.62   1.627% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - QG2   ILE  119   7.40 +/- 2.15   5.431% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   ILE  119  16.48 +/- 4.53   2.020% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  16.82 +/- 2.79   0.602% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   8.26 +/- 1.88   3.399% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 261.6:
    *   T QD1   ILE  119 - QG2   ILE  119   2.01 +/- 0.23  97.966% * 99.8078% (0.97 10.00   5.86 261.55) =  99.999%  kept
          HB2   LEU  104 - QG2   ILE  119  12.24 +/- 3.96   1.100% *  0.0751% (0.73  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QG2   ILE  119  11.95 +/- 1.86   0.577% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  13.86 +/- 1.70   0.357% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.89, residual support = 239.2:
    * O T HA    ILE  119 - HG12  ILE  119   2.57 +/- 0.42  87.468% * 50.8167% (1.00  10.0 10.00   6.97 261.55) =  89.408%  kept
        T HA    THR  118 - HG12  ILE  119   5.77 +/- 0.46  10.736% * 49.0416% (0.97   1.0 10.00   6.24  50.58) =  10.591%  kept
          HA2   GLY  109 - HG12  ILE  119  14.20 +/- 2.04   0.716% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG12  ILE  119  20.83 +/- 2.27   0.314% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  21.21 +/- 2.48   0.306% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  16.32 +/- 1.64   0.459% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.05, residual support = 261.5:
    * O T HB    ILE  119 - HG12  ILE  119   2.59 +/- 0.18  87.002% * 98.6651% (0.87  10.0 10.00   6.05 261.55) =  99.984%  kept
          HG3   GLN   30 - HG12  ILE  119  19.31 +/- 4.34   3.507% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   ARG+  54 - HG12  ILE  119  14.68 +/- 1.76   0.578% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLN   30 - HG12  ILE  119  18.33 +/- 4.01   3.357% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - HG12  ILE  119  11.72 +/- 1.95   1.684% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG12  ILE  119  15.28 +/- 2.96   0.586% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG12  ILE  119  14.27 +/- 2.58   0.669% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG12  ILE  119  12.02 +/- 2.25   1.381% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HG12  ILE  119  20.52 +/- 3.77   0.245% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  19.41 +/- 3.82   0.357% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  18.90 +/- 3.55   0.316% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  25.08 +/- 5.13   0.319% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.34, residual support = 261.5:
    * O T QG2   ILE  119 - HG12  ILE  119   3.14 +/- 0.22  73.079% * 99.7168% (1.00  10.0 10.00   6.35 261.55) =  99.981%  kept
          QD2   LEU   71 - HG12  ILE  119  13.09 +/- 3.46  11.190% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.013%
          QD1   LEU   67 - HG12  ILE  119   9.89 +/- 3.53   8.162% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HG12  ILE  119  14.23 +/- 2.26   1.055% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  10.30 +/- 2.95   3.801% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  12.46 +/- 2.79   1.815% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  15.55 +/- 2.97   0.900% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.12 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 = 6.21, residual support = 261.5:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  90.307% * 99.6771% (1.00  10.0 10.00   6.21 261.55) =  99.997%  kept
          QG1   VAL  107 - HG12  ILE  119   6.53 +/- 2.64   4.959% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG12  ILE  119  10.73 +/- 1.66   0.676% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   7.48 +/- 2.38   2.281% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  18.08 +/- 4.88   0.749% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.10 +/- 0.66   0.688% *  0.0308% (0.31   1.0  1.00   0.02   7.60) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.41 +/- 2.98   0.209% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  18.42 +/- 2.98   0.131% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.61, residual support = 261.6:
    * O T QD1   ILE  119 - HG12  ILE  119   2.14 +/- 0.02  97.958% * 99.8078% (0.97  10.0 10.00   5.61 261.55) =  99.999%  kept
          HB2   LEU  104 - HG12  ILE  119  12.96 +/- 4.19   0.930% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HG12  ILE  119  12.03 +/- 2.31   0.717% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  13.93 +/- 1.55   0.395% *  0.0586% (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 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.73, residual support = 239.4:
    * O T HA    ILE  119 - HG13  ILE  119   2.85 +/- 0.45  87.242% * 50.8167% (1.00  10.0 10.00   6.87 261.55) =  89.519%  kept
        T HA    THR  118 - HG13  ILE  119   6.59 +/- 0.80  10.582% * 49.0416% (0.97   1.0 10.00   5.46  50.58) =  10.479%  kept
          HA2   GLY  109 - HG13  ILE  119  15.14 +/- 1.73   1.059% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  20.96 +/- 2.40   0.315% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  21.89 +/- 2.27   0.237% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  16.66 +/- 1.87   0.564% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.03, residual support = 261.5:
    * O T HB    ILE  119 - HG13  ILE  119   2.81 +/- 0.32  88.925% * 99.2403% (0.87  10.0 10.00   6.03 261.55) =  99.991%  kept
          HG3   GLN   30 - HG13  ILE  119  19.44 +/- 4.32   1.489% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG13  ILE  119  18.53 +/- 4.06   1.621% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HG13  ILE  119  14.84 +/- 3.55   1.292% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  12.48 +/- 1.66   1.797% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG13  ILE  119  12.58 +/- 2.08   1.888% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  14.65 +/- 2.17   0.840% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  15.35 +/- 2.15   0.667% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HG13  ILE  119  20.94 +/- 4.07   0.320% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  18.63 +/- 3.70   0.470% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  19.29 +/- 3.76   0.441% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  25.40 +/- 5.12   0.248% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 261.5:
    * O T QG2   ILE  119 - HG13  ILE  119   2.53 +/- 0.28  81.715% * 99.7168% (1.00  10.0 10.00   6.31 261.55) =  99.991%  kept
          QD2   LEU   71 - HG13  ILE  119  13.09 +/- 3.38   5.273% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU   67 - HG13  ILE  119   9.81 +/- 3.65   8.596% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HG13  ILE  119  14.93 +/- 2.13   0.533% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG13  ILE  119  15.59 +/- 3.29   0.981% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  10.55 +/- 3.23   2.059% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  13.19 +/- 2.71   0.842% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 6.21, residual support = 261.5:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  96.787% * 99.4466% (1.00  10.0 10.00   6.21 261.55) =  99.998%  kept
          HB3   PHE   72 - HG13  ILE  119  12.46 +/- 3.28   0.985% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HG13  ILE  119  11.03 +/- 3.71   1.065% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  10.97 +/- 1.93   0.504% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  23.60 +/- 4.68   0.145% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.57 +/- 2.47   0.154% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  20.66 +/- 3.83   0.083% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  21.26 +/- 2.18   0.067% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  19.04 +/- 3.12   0.095% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  19.56 +/- 2.21   0.079% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  27.06 +/- 4.45   0.038% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.6, residual support = 261.6:
    * O T QD1   ILE  119 - HG13  ILE  119   2.14 +/- 0.02  98.021% * 99.8078% (0.97  10.0 10.00   5.60 261.55) =  99.999%  kept
          HB2   LEU  104 - HG13  ILE  119  13.59 +/- 4.41   1.052% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HG13  ILE  119  12.88 +/- 1.96   0.559% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  14.32 +/- 1.70   0.369% *  0.0586% (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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.1, residual support = 252.6:
    *   T HA    ILE  119 - QD1   ILE  119   3.46 +/- 0.49  80.020% * 80.0557% (0.97 10.00   6.15 261.55) =  95.742%  kept
          HA    THR  118 - QD1   ILE  119   6.36 +/- 0.27  14.515% * 19.5948% (0.93  1.00   5.07  50.58) =   4.251%  kept
        T HA    VAL   75 - QD1   ILE  119  14.12 +/- 1.72   1.508% *  0.1402% (0.17 10.00   0.02   0.02) =   0.003%
          HA2   GLY  109 - QD1   ILE  119  12.54 +/- 1.81   2.327% *  0.0581% (0.70  1.00   0.02   0.02) =   0.002%
          HB2   TRP   49 - QD1   ILE  119  16.80 +/- 2.25   0.917% *  0.0793% (0.96  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QD1   ILE  119  18.25 +/- 2.05   0.711% *  0.0718% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 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 = 5.57, residual support = 261.5:
    * O T HB    ILE  119 - QD1   ILE  119   2.47 +/- 0.40  82.497% * 98.5836% (0.84  10.0 10.00   5.57 261.55) =  99.982%  kept
        T HB    VAL  108 - QD1   ILE  119  13.04 +/- 1.95   0.726% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.007%
          HB2   PRO   93 - QD1   ILE  119  10.21 +/- 2.17   7.394% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - QD1   ILE  119  10.07 +/- 1.83   3.289% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QD1   ILE  119  16.21 +/- 3.40   1.092% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QD1   ILE  119  16.96 +/- 3.71   0.919% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QD1   ILE  119  11.20 +/- 1.62   1.456% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD1   ILE  119  12.70 +/- 2.10   0.787% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD1   ILE  119  18.40 +/- 3.17   0.354% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  16.57 +/- 3.17   0.587% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  15.94 +/- 2.98   0.540% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  21.67 +/- 4.26   0.359% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 261.5:
    *   T QG2   ILE  119 - QD1   ILE  119   2.01 +/- 0.23  89.543% * 99.7168% (0.97 10.00   5.86 261.55) =  99.995%  kept
          QD2   LEU   71 - QD1   ILE  119  11.46 +/- 2.80   2.979% *  0.0865% (0.84  1.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - QD1   ILE  119   8.61 +/- 2.68   3.927% *  0.0197% (0.19  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - QD1   ILE  119  13.02 +/- 2.97   0.989% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  13.04 +/- 1.77   0.387% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.54 +/- 2.52   1.509% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.64 +/- 2.16   0.666% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.61, residual support = 261.5:
    * O T HG12  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  91.829% * 99.4466% (0.97  10.0 10.00   5.61 261.55) =  99.995%  kept
          HB3   PHE   72 - QD1   ILE  119  10.88 +/- 3.10   2.857% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - QD1   ILE  119   9.35 +/- 1.73   1.440% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QD1   ILE  119   9.94 +/- 2.90   1.681% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QD1   ILE  119  14.44 +/- 2.60   0.745% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD1   ILE  119  20.37 +/- 3.97   0.329% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  17.58 +/- 2.04   0.234% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.65 +/- 3.13   0.240% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  16.35 +/- 2.78   0.274% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.32 +/- 2.19   0.265% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  22.96 +/- 3.92   0.107% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.6, residual support = 261.5:
    * O T HG13  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  85.019% * 99.6771% (0.97  10.0 10.00   5.60 261.55) =  99.995%  kept
          HD3   LYS+ 112 - QD1   ILE  119   8.54 +/- 1.52   2.210% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - QD1   ILE  119   6.51 +/- 2.01   5.404% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD1   ILE  119   7.04 +/- 1.95   4.175% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QD1   ILE  119  15.70 +/- 4.05   1.071% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   ILE  119   8.90 +/- 0.67   1.275% *  0.0308% (0.30   1.0  1.00   0.02   7.60) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.95 +/- 2.61   0.552% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  16.45 +/- 2.70   0.294% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.94, support = 2.28, residual support = 13.2:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.02  91.544% * 85.5096% (0.95  10.0 10.00   2.27  13.32) =  99.306%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.46 +/- 0.82   3.905% * 13.9474% (0.15   1.0 10.00   4.41   2.58) =   0.691%  kept
          HG    LEU  115 - HA    ALA  120  10.65 +/- 1.33   0.880% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    ALA  120  15.58 +/- 5.80   0.980% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    ALA  120  15.50 +/- 4.93   0.504% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  17.16 +/- 2.45   0.209% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.73 +/- 1.20   0.808% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  14.47 +/- 5.07   0.718% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  20.69 +/- 4.22   0.337% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  21.23 +/- 2.70   0.114% *  0.0440% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.939, support = 2.31, residual support = 13.0:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.02  75.355% * 84.1025% (0.95  10.0 10.00   2.27  13.32) =  97.137%  kept
          HA    LYS+ 121 - QB    ALA  120   3.85 +/- 0.07  12.745% * 13.2268% (0.72   1.0  1.00   4.12   2.58) =   2.584%  kept
          QB    SER  117 - QB    ALA  120   4.63 +/- 0.40   8.000% *  2.2437% (0.39   1.0  1.00   1.30   5.22) =   0.275%  kept
          HA2   GLY   16 - QB    ALA  120  18.46 +/- 4.84   2.881% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - QB    ALA  120  15.51 +/- 1.62   0.244% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA  120  15.39 +/- 1.81   0.230% *  0.0643% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  19.95 +/- 2.64   0.120% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.45 +/- 2.58   0.136% *  0.0578% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  23.51 +/- 2.44   0.066% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.19 +/- 2.91   0.222% *  0.0166% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.933, support = 7.91, residual support = 295.7:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.06  40.629% * 76.8577% (1.00  10.0 10.00   8.30 313.01) =  92.023%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.30 +/- 0.62  33.627% *  4.8133% (0.06   1.0 10.00   4.88 159.52) =   4.770%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.41 +/- 0.39   6.780% * 15.9269% (0.31   1.0 10.00   1.34   2.43) =   3.182%  kept
        T QD    LYS+ 102 - HA    LYS+ 121  16.41 +/- 6.66   0.647% *  0.4044% (0.53   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  38 - HA    LYS+ 121  18.06 +/- 5.45   0.339% *  0.6893% (0.90   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  65 - HA    LYS+ 121  17.41 +/- 2.16   0.238% *  0.7669% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.47 +/- 2.73   0.290% *  0.2137% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HA    LYS+  65   8.59 +/- 3.63  14.004% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  16.70 +/- 1.93   0.251% *  0.0482% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.66 +/- 2.12   0.472% *  0.0237% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  18.92 +/- 2.34   0.187% *  0.0433% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.24 +/- 4.11   0.072% *  0.0753% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.63 +/- 2.41   0.202% *  0.0262% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.74 +/- 2.31   0.112% *  0.0466% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  17.46 +/- 3.12   0.287% *  0.0149% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.48 +/- 2.62   0.120% *  0.0254% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  22.16 +/- 3.29   0.129% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.37 +/- 1.80   0.963% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  19.26 +/- 3.36   0.231% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  16.40 +/- 2.92   0.422% *  0.0016% (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 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.35, residual support = 313.0:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.66 +/- 0.60  84.953% * 99.6412% (1.00  10.0 10.00   7.35 313.01) =  99.994%  kept
          QG2   VAL  107 - HA    LYS+ 121  11.11 +/- 2.50   2.484% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HA    LYS+ 121   8.76 +/- 0.38   3.289% *  0.0308% (0.31   1.0  1.00   0.02   7.60) =   0.001%
          QB    ALA   20 - HA    LYS+ 121  19.62 +/- 4.08   0.522% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  16.41 +/- 4.60   0.769% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  18.71 +/- 2.32   0.437% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  10.94 +/- 3.78   3.833% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  19.41 +/- 4.21   0.634% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.22 +/- 2.13   0.942% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  12.54 +/- 1.70   1.146% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  19.02 +/- 3.04   0.538% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  17.78 +/- 2.12   0.454% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 313.0:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.07 +/- 0.50  71.841% * 99.4380% (1.00  10.0 10.00   6.74 313.01) =  99.985%  kept
        T QD2   LEU   73 - HA    LYS+ 121  15.43 +/- 2.67   0.968% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  123 - HA    LYS+ 121   7.22 +/- 0.17   6.378% *  0.0484% (0.49   1.0  1.00   0.02   2.43) =   0.004%
        T QD2   LEU   73 - HA    LYS+  65   8.56 +/- 1.68  13.404% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HA    LYS+ 121  12.75 +/- 1.03   1.278% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HA    LYS+  65  18.72 +/- 2.06   0.434% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  19.63 +/- 4.29   0.439% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  11.11 +/- 1.89   2.413% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  14.02 +/- 3.09   2.225% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  16.35 +/- 2.13   0.618% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.707, support = 7.72, residual support = 303.3:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.60 +/- 0.66  19.368% * 69.2258% (1.00   1.0 10.00   7.65 313.01) =  59.770%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.64 +/- 0.21  36.009% * 21.3664% (0.31  10.0 10.00   8.22 313.01) =  34.299%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.12 +/- 0.81  28.568% *  4.3065% (0.06  10.0 10.00   5.39 159.52) =   5.485%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.36 +/- 0.61   2.758% *  3.4792% (0.05   1.0 10.00   5.56  30.49) =   0.428%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.53 +/- 4.48   0.369% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  65 - HA    LYS+ 121  19.03 +/- 2.09   0.100% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HA    LYS+ 121  13.25 +/- 7.21   2.553% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+  65   8.72 +/- 3.78   4.213% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+ 121  20.25 +/- 4.44   0.343% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LYS+  65   8.85 +/- 2.98   3.798% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  22.13 +/- 2.66   0.065% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.56 +/- 2.17   0.128% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.59 +/- 5.49   0.404% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.16 +/- 2.15   0.246% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.81 +/- 2.02   0.070% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.29 +/- 2.22   0.147% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.13 +/- 2.18   0.281% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.39 +/- 2.60   0.353% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  19.12 +/- 3.30   0.127% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.03 +/- 2.43   0.102% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.969, support = 6.66, residual support = 264.6:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.64 +/- 0.86  70.677% * 55.1677% (1.00   6.70 313.01) =  81.270%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.95 +/- 0.40  20.147% * 44.5878% (0.84   6.49  54.62) =  18.724%  kept
          HG2   GLN   30 - HA    LYS+ 121  21.72 +/- 4.69   1.231% *  0.1131% (0.69   0.02   0.02) =   0.003%
          HB3   ASN   28 - HA    LYS+ 121  23.96 +/- 5.57   1.127% *  0.0738% (0.45   0.02   0.02) =   0.002%
          HB3   HIS  122 - HA    LYS+  65  14.05 +/- 3.11   2.257% *  0.0086% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  17.05 +/- 2.15   1.258% *  0.0103% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  15.66 +/- 2.23   1.372% *  0.0071% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  27.71 +/- 2.80   0.231% *  0.0254% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  20.61 +/- 2.28   0.603% *  0.0046% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  17.26 +/- 3.71   1.096% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.97 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 = 8.21, residual support = 303.5:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.95 +/- 0.06  74.108% * 81.4738% (1.00  10.0 10.00   8.30 313.01) =  96.923%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.67 +/- 0.27  10.651% * 17.3362% (0.76   1.0  1.00   5.57   2.58) =   2.964%  kept
          QB    SER  117 - HB2   LYS+ 121   6.44 +/- 1.37  11.616% *  0.5839% (0.84   1.0  1.00   0.17   0.02) =   0.109%  kept
        T HA    LYS+  65 - HB2   LYS+ 121  16.70 +/- 1.93   0.474% *  0.2779% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB2   LYS+ 121  16.08 +/- 2.61   0.538% *  0.0808% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  12.14 +/- 1.54   1.313% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  20.02 +/- 5.11   0.706% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  22.85 +/- 2.63   0.243% *  0.0808% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  22.40 +/- 3.08   0.223% *  0.0771% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  25.67 +/- 3.35   0.129% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.75, residual support = 313.0:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.85 +/- 0.22  87.372% * 99.7211% (1.00  10.0 10.00   7.75 313.01) =  99.992%  kept
          QG2   VAL  107 - HB2   LYS+ 121   9.33 +/- 2.84   3.840% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  119 - HB2   LYS+ 121   7.12 +/- 0.47   6.067% *  0.0308% (0.31   1.0  1.00   0.02   7.60) =   0.002%
          QB    ALA   20 - HB2   LYS+ 121  18.17 +/- 3.52   0.980% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB2   LYS+ 121  14.53 +/- 4.69   1.179% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   LYS+ 121  17.77 +/- 4.09   0.562% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 7.11, residual support = 309.9:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.74 +/- 0.23  92.344% * 81.5862% (1.00  10.0 10.00   7.17 313.01) =  99.012%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.98 +/- 0.31   4.137% * 18.0678% (0.49   1.0 10.00   0.91   2.43) =   0.982%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  13.66 +/- 2.73   1.284% *  0.2783% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HB2   LYS+ 121  11.02 +/- 1.15   1.710% *  0.0495% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   LYS+ 121  17.81 +/- 4.26   0.525% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.17 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 = 0.731, support = 8.37, residual support = 313.0:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.35 +/- 0.42  31.958% * 74.7463% (1.00  10.0 10.00   8.11 313.01) =  61.119%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  65.854% * 23.0703% (0.31  10.0 10.00   8.77 313.01) =  38.873%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  14.38 +/- 4.02   0.294% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  65 - HB2   LYS+ 121  17.20 +/- 1.89   0.081% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.51 +/- 1.87   0.052% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  12.10 +/- 6.78   1.004% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HB2   LYS+ 121  18.79 +/- 4.39   0.230% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.81 +/- 2.48   0.053% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  13.40 +/- 4.77   0.297% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  13.63 +/- 2.21   0.177% *  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 = 0.961, support = 7.01, residual support = 251.8:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.67 +/- 0.34  67.921% * 56.6051% (1.00   7.15 313.01) =  76.298%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.30 +/- 0.63  27.642% * 43.1909% (0.84   6.53  54.62) =  23.693%  kept
          HG2   GLN   30 - HB2   LYS+ 121  20.00 +/- 4.77   3.410% *  0.1087% (0.69   0.02   0.02) =   0.007%
          HB3   ASN   28 - HB2   LYS+ 121  22.26 +/- 5.43   0.794% *  0.0710% (0.45   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   LYS+ 121  25.28 +/- 2.52   0.233% *  0.0244% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 7.32, residual support = 309.5:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.66 +/- 0.60  82.111% * 84.3213% (1.00  10.0 10.00   7.35 313.01) =  98.861%  kept
          HA    ALA  120 - HG2   LYS+ 121   7.06 +/- 0.32   5.263% * 14.9809% (0.76   1.0  1.00   4.65   2.58) =   1.126%  kept
          QB    SER  117 - HG2   LYS+ 121   7.50 +/- 1.60   9.482% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.010%
        T HA    LYS+  65 - HG2   LYS+ 121  18.71 +/- 2.32   0.418% *  0.2876% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+ 121  17.64 +/- 3.06   0.625% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG2   LYS+ 121  14.51 +/- 1.82   1.161% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  24.04 +/- 3.19   0.231% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  24.89 +/- 3.23   0.195% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  21.17 +/- 5.42   0.381% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  26.69 +/- 3.72   0.134% *  0.0347% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.75, residual support = 313.0:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.85 +/- 0.22  89.348% * 99.4783% (1.00  10.0 10.00   7.75 313.01) =  99.995%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.77 +/- 0.54   5.067% *  0.0307% (0.31   1.0  1.00   0.02   2.43) =   0.002%
          QD    LYS+ 102 - HG2   LYS+ 121  15.24 +/- 7.30   2.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG2   LYS+ 121  17.86 +/- 5.55   0.841% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG2   LYS+ 121  17.66 +/- 2.32   0.489% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+ 121  14.99 +/- 2.12   0.891% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.16 +/- 4.57   0.169% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  17.24 +/- 3.20   0.582% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  21.35 +/- 2.28   0.234% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.30 +/- 2.79   0.377% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.0:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  98.647% * 99.3314% (1.00  10.0 10.00   6.31 313.01) =  99.998%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  15.01 +/- 2.80   0.224% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   9.05 +/- 0.41   0.729% *  0.0483% (0.49   1.0  1.00   0.02   2.43) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  18.76 +/- 4.56   0.123% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.85 +/- 1.24   0.277% *  0.0602% (0.61   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 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.803, support = 7.33, residual support = 313.0:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.88 +/- 0.09  40.923% * 75.5250% (1.00  10.0 10.00   7.18 313.01) =  71.543%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.65 +/- 0.15  52.714% * 23.3106% (0.31  10.0 10.00   7.69 313.01) =  28.444%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  16.15 +/- 4.46   0.622% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU  104 - HG2   LYS+ 121  12.17 +/- 7.76   3.943% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.97 +/- 2.83   0.382% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG2   LYS+ 121  19.80 +/- 4.33   0.351% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.79 +/- 2.49   0.105% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  19.27 +/- 2.32   0.161% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  14.52 +/- 5.47   0.693% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.39 +/- 2.01   0.107% *  0.0577% (0.76   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 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 6.28, residual support = 309.6:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.33 +/- 0.48  93.399% * 81.4013% (1.00  10.0   6.29 313.01) =  98.664%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.74 +/- 0.69   5.565% * 18.4938% (0.84   1.0   5.44  54.62) =   1.336%  kept
          HB3   ASN   28 - HG2   LYS+ 121  23.00 +/- 5.58   0.597% *  0.0365% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG2   LYS+ 121  21.19 +/- 4.67   0.335% *  0.0559% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  26.97 +/- 2.95   0.103% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.996, support = 6.7, residual support = 309.0:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.07 +/- 0.50  51.528% * 85.2657% (1.00  10.0 10.00   6.74 313.01) =  98.716%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.50 +/- 0.35   3.709% * 13.0264% (0.76   1.0  1.00   4.00   2.58) =   1.085%  kept
          HA    PHE   60 - QD2   LEU   73   8.98 +/- 3.14  14.690% *  0.4569% (0.09   1.0  1.00   1.13   1.63) =   0.151%  kept
        T HA    LYS+  65 - QD2   LEU   73   8.56 +/- 1.68   9.758% *  0.0992% (0.12   1.0 10.00   0.02   0.02) =   0.022%
          QB    SER  117 - HG3   LYS+ 121   7.54 +/- 1.58   7.948% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.013%
        T HA    LYS+ 121 - QD2   LEU   73  15.43 +/- 2.67   0.548% *  0.2908% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HG3   LYS+ 121  18.72 +/- 2.06   0.308% *  0.2908% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD2   LEU   73  12.53 +/- 2.20   2.891% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD2   LEU   73   9.85 +/- 1.66   2.059% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD2   LEU   73  14.09 +/- 3.53   1.735% *  0.0243% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 121  17.46 +/- 2.89   0.374% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+ 121  21.08 +/- 5.47   0.522% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.03 +/- 2.84   0.194% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  16.35 +/- 3.19   0.558% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  15.46 +/- 2.89   0.692% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  13.40 +/- 3.66   1.062% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  14.49 +/- 1.45   0.535% *  0.0237% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  24.05 +/- 2.83   0.132% *  0.0807% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  15.04 +/- 2.18   0.644% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  26.53 +/- 3.97   0.115% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.993, support = 7.15, residual support = 310.4:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.74 +/- 0.23  69.422% * 89.4887% (1.00  10.0 10.00   7.17 313.01) =  99.058%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.21 +/- 1.07   8.851% *  5.0263% (0.21   1.0  1.00   5.43  41.66) =   0.709%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.25 +/- 0.57   3.008% *  4.5967% (0.31   1.0 10.00   0.33   2.43) =   0.220%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  13.66 +/- 2.73   0.965% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - QD2   LEU   73   9.31 +/- 1.71   3.869% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HG3   LYS+ 121  14.68 +/- 7.34   1.684% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QD2   LEU   73  11.61 +/- 2.84   1.685% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 121  17.45 +/- 5.34   0.497% *  0.0803% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QD2   LEU   73  11.14 +/- 3.10   3.779% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG3   LYS+ 121  17.76 +/- 2.12   0.385% *  0.0893% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU   73  13.13 +/- 1.63   0.799% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  12.67 +/- 2.32   1.077% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  15.15 +/- 1.92   0.527% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  13.03 +/- 2.96   1.322% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.95 +/- 4.65   0.126% *  0.0877% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  17.33 +/- 2.93   0.399% *  0.0249% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  21.16 +/- 1.97   0.180% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.32 +/- 2.11   0.271% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  18.13 +/- 4.53   0.642% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.10 +/- 2.70   0.513% *  0.0094% (0.11   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 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.0:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  90.618% * 98.9593% (1.00  10.0 10.00   6.31 313.01) =  99.995%  kept
        T HB3   LEU   31 - QD2   LEU   73   8.56 +/- 2.77   1.385% *  0.0938% (0.09   1.0 10.00   0.02   1.32) =   0.001%
        T HG2   LYS+ 121 - QD2   LEU   73  15.01 +/- 2.80   0.206% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD2   LEU   73   7.41 +/- 3.06   2.254% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG3   LYS+ 121  10.56 +/- 3.02   0.644% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD2   LEU   73  10.31 +/- 2.43   1.576% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - HG3   LYS+ 121  18.01 +/- 4.70   0.143% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  19.30 +/- 3.94   0.301% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.76 +/- 0.50   0.540% *  0.0305% (0.31   1.0  1.00   0.02   7.60) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  14.48 +/- 5.57   0.314% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  12.03 +/- 3.37   1.347% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  10.04 +/- 1.84   0.671% *  0.0164% (0.17   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 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 = 0.771, support = 6.7, residual support = 308.4:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.87 +/- 0.10  28.455% * 67.7542% (1.00  10.0 10.00   6.58 313.01) =  67.081%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.49 +/- 0.27  42.895% * 20.9122% (0.31  10.0 10.00   7.02 313.01) =  31.211%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.39 +/- 0.90   7.117% *  5.3036% (0.26   1.0  1.00   6.01  41.66) =   1.313%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.23 +/- 1.11   2.323% *  4.5723% (0.07   1.0 10.00   2.89  41.66) =   0.370%  kept
        T QD    LYS+  66 - HG3   LYS+ 121  16.29 +/- 4.20   0.307% *  0.5425% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU  104 - HG3   LYS+ 121  11.64 +/- 7.73   6.350% *  0.0209% (0.31   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  66 - QD2   LEU   73  11.44 +/- 1.53   0.613% *  0.1850% (0.27   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   26 - QD2   LEU   73   7.35 +/- 2.51   3.989% *  0.0223% (0.33   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 121 - QD2   LEU   73  14.43 +/- 2.90   0.377% *  0.2310% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HG2   LYS+  65 - QD2   LEU   73   9.66 +/- 1.69   1.345% *  0.0229% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD2   LEU   73  13.89 +/- 2.82   0.400% *  0.0713% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG3   LYS+ 121  19.55 +/- 4.62   0.409% *  0.0654% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QD2   LEU   73  11.63 +/- 2.86   2.247% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG3   LYS+ 121  21.63 +/- 2.21   0.072% *  0.1341% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  19.36 +/- 2.01   0.100% *  0.0672% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.96 +/- 1.51   1.597% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  14.07 +/- 5.18   0.465% *  0.0119% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.18 +/- 1.78   0.075% *  0.0518% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  15.06 +/- 2.65   0.251% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  16.05 +/- 4.23   0.612% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 5.97, residual support = 307.7:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.88 +/- 0.42  69.053% * 81.8232% (1.00  10.0   5.99 313.01) =  97.981%  kept
          HB3   HIS  122 - HG3   LYS+ 121   6.94 +/- 0.67   6.161% * 17.5405% (0.84   1.0   5.13  54.62) =   1.874%  kept
          HG2   GLN   30 - QD2   LEU   73   7.31 +/- 3.27  17.718% *  0.4628% (0.23   1.0   0.48   4.76) =   0.142%  kept
          HG2   GLN   30 - HG3   LYS+ 121  20.84 +/- 4.90   0.747% *  0.0562% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   HIS  122 - QD2   LEU   73  12.43 +/- 2.57   1.331% *  0.0233% (0.28   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD2   LEU   73  13.76 +/- 2.60   1.051% *  0.0279% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   ASN   28 - QD2   LEU   73  10.70 +/- 3.05   2.319% *  0.0125% (0.15   1.0   0.02   0.89) =   0.001%
          HB3   ASN   28 - HG3   LYS+ 121  22.63 +/- 5.91   0.382% *  0.0367% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  12.49 +/- 1.34   1.140% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  26.89 +/- 2.35   0.098% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.963, support = 7.23, residual support = 272.8:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.60 +/- 0.66  31.472% * 54.7966% (1.00 10.00   7.65 313.01) =  86.960%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.46 +/- 0.82   5.669% * 41.8771% (0.76 10.00   4.41   2.58) =  11.972%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.36 +/- 0.61   7.204% *  2.3243% (0.04 10.00   5.56  30.49) =   0.844%  kept
          QB    SER  117 - HD2   LYS+ 121   6.20 +/- 1.93  11.716% *  0.3252% (0.84  1.00   0.14   0.02) =   0.192%  kept
        T HA    LYS+  65 - HD3   LYS+  74   8.72 +/- 3.78   6.233% *  0.0292% (0.05 10.00   0.02   0.02) =   0.009%
        T HA    LYS+  65 - HD2   LYS+ 121  17.56 +/- 2.17   0.457% *  0.1869% (0.34 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QD    LYS+  66  15.53 +/- 4.48   1.216% *  0.0681% (0.12 10.00   0.02   0.02) =   0.004%
          QB    SER   48 - QD    LYS+  66  15.94 +/- 6.29  10.587% *  0.0064% (0.12  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HD2   LYS+ 121  20.80 +/- 5.53   1.167% *  0.0225% (0.41  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    LYS+  66  16.76 +/- 5.45   3.645% *  0.0068% (0.12  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 121  16.60 +/- 2.44   0.427% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+  74  11.07 +/- 3.52   2.480% *  0.0081% (0.15  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD2   LYS+ 121  23.43 +/- 2.90   0.341% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+  74  22.13 +/- 2.66   0.168% *  0.0855% (0.16 10.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD2   LYS+ 121  13.06 +/- 1.54   0.904% *  0.0152% (0.28  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    LYS+  66  13.45 +/- 4.73   2.111% *  0.0052% (0.10  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  66  13.43 +/- 5.17   3.380% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  22.88 +/- 3.10   0.180% *  0.0518% (0.95  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74  10.46 +/- 3.77   3.367% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  15.33 +/- 3.03   0.897% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  13.03 +/- 1.80   0.795% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  14.69 +/- 2.66   0.993% *  0.0057% (0.10  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  16.95 +/- 3.49   0.668% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.63 +/- 0.96   2.294% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  25.99 +/- 3.40   0.112% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  19.22 +/- 2.86   0.304% *  0.0071% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  17.96 +/- 5.01   0.455% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  21.19 +/- 3.41   0.236% *  0.0065% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.55 +/- 1.85   0.329% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  22.93 +/- 3.60   0.192% *  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 = 0.833, support = 7.25, residual support = 285.2:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.35 +/- 0.42  27.838% * 79.1506% (1.00  10.0 10.00   8.11 313.01) =  81.448%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  56.993% *  7.4880% (0.09  10.0  1.00   3.34 186.65) =  15.775%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.60 +/- 1.43   7.576% *  9.8204% (0.12   1.0 10.00   4.18  30.49) =   2.750%  kept
        T QD    LYS+  65 - HD3   LYS+  74   8.89 +/- 3.93   2.879% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.013%
        T QD    LYS+ 102 - HD2   LYS+ 121  15.63 +/- 6.41   0.252% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HD2   LYS+ 121  18.24 +/- 4.79   0.099% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HD2   LYS+ 121  16.64 +/- 2.24   0.086% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+ 121 - QD    LYS+  66  14.38 +/- 4.02   0.257% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  15.89 +/- 3.07   0.108% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.52 +/- 0.88   0.835% *  0.0244% (0.31   1.0  1.00   0.02   2.43) =   0.001%
        T HD2   LYS+  74 - HD2   LYS+ 121  20.21 +/- 1.92   0.040% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - QD    LYS+  66  17.73 +/- 2.96   0.085% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  19.81 +/- 2.48   0.046% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  20.62 +/- 2.71   0.044% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  13.81 +/- 2.08   0.170% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  11.49 +/- 4.70   0.706% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  20.77 +/- 2.28   0.039% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  12.20 +/- 3.16   0.419% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  24.36 +/- 4.08   0.028% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.85 +/- 2.20   0.073% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.90 +/- 3.36   0.070% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  21.35 +/- 2.70   0.036% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.90 +/- 2.39   0.149% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  13.61 +/- 5.07   0.391% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  22.50 +/- 3.45   0.033% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.48 +/- 3.53   0.249% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.09 +/- 1.27   0.260% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  14.23 +/- 2.78   0.152% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  20.70 +/- 3.48   0.052% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  22.00 +/- 3.45   0.037% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.18, residual support = 313.0:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.88 +/- 0.09  71.992% * 99.3656% (1.00  10.0 10.00   7.18 313.01) =  99.989%  kept
          QG2   VAL  107 - HD2   LYS+ 121   9.55 +/- 2.98   3.040% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+ 121 - QD    LYS+  66  16.15 +/- 4.46   1.038% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HD2   LYS+ 121   8.11 +/- 0.65   3.523% *  0.0307% (0.31   1.0  1.00   0.02   7.60) =   0.002%
          QB    ALA   20 - HD3   LYS+  74   8.86 +/- 5.42   6.133% *  0.0124% (0.12   1.0  1.00   0.02   5.48) =   0.001%
          QB    ALA   20 - HD2   LYS+ 121  19.02 +/- 3.66   0.669% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HD2   LYS+ 121  14.87 +/- 4.94   1.096% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.79 +/- 2.49   0.186% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  12.89 +/- 3.73   2.394% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66  10.52 +/- 3.32   4.576% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  13.60 +/- 2.58   1.251% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  18.54 +/- 4.07   0.406% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  14.30 +/- 1.99   0.721% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.70 +/- 2.90   1.314% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  16.06 +/- 3.40   0.659% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.69 +/- 1.51   0.341% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  19.74 +/- 2.68   0.280% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  18.48 +/- 2.63   0.381% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 313.0:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.87 +/- 0.10  68.313% * 99.1222% (1.00  10.0 10.00   6.58 313.01) =  99.983%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  14.43 +/- 2.90   0.927% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - HD3   LYS+  74   7.23 +/- 1.11   5.236% *  0.0527% (0.05   1.0 10.00   0.02  41.66) =   0.004%
          QD2   LEU  123 - HD2   LYS+ 121   8.64 +/- 0.69   2.784% *  0.0482% (0.49   1.0  1.00   0.02   2.43) =   0.002%
        T HG3   LYS+ 121 - QD    LYS+  66  16.29 +/- 4.20   0.869% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HD3   LYS+  74  11.42 +/- 3.86   8.206% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HD2   LYS+ 121  11.54 +/- 1.40   1.240% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD    LYS+  66  11.44 +/- 1.53   1.537% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QD    LYS+  66  10.45 +/- 4.39   6.088% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HD3   LYS+  74  21.63 +/- 2.21   0.182% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  10.44 +/- 1.82   2.152% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  18.65 +/- 4.17   0.431% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.77 +/- 2.86   1.185% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  18.21 +/- 3.25   0.380% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  17.58 +/- 2.89   0.468% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.997, support = 6.43, residual support = 307.8:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.27 +/- 0.13  83.638% * 80.2286% (1.00  10.0  1.00   6.45 313.01) =  97.989%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.50 +/- 1.22   7.242% * 18.9627% (0.84   1.0  1.00   5.66  54.62) =   2.005%  kept
        T HG2   GLN   30 - HD2   LYS+ 121  21.01 +/- 4.78   0.537% *  0.5511% (0.69   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   GLN   30 - HD3   LYS+  74  14.48 +/- 2.95   0.403% *  0.0860% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - QD    LYS+  66  11.73 +/- 4.60   3.348% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  17.33 +/- 2.74   0.267% *  0.0685% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  14.71 +/- 4.39   1.319% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  23.09 +/- 5.21   0.202% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.21 +/- 3.55   0.541% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.57 +/- 1.86   1.329% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  17.99 +/- 2.91   0.238% *  0.0105% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  19.58 +/- 2.26   0.147% *  0.0125% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  21.35 +/- 3.75   0.233% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  25.85 +/- 2.53   0.064% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  18.59 +/- 4.48   0.492% *  0.0015% (0.02   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 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 75.8:
    * O T HB2   HIS  122 - HA    HIS  122   2.62 +/- 0.26  99.151% * 99.8210% (1.00  10.0 10.00   3.44  75.84) =  99.999%  kept
          HA    LYS+ 112 - HA    HIS  122  16.17 +/- 0.74   0.452% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  19.91 +/- 2.87   0.397% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.992, support = 3.79, residual support = 74.8:
    * O T HB3   HIS  122 - HA    HIS  122   2.62 +/- 0.28  71.669% * 87.9013% (1.00  10.0 10.00   3.82  75.84) =  95.245%  kept
          QE    LYS+ 121 - HA    HIS  122   5.81 +/- 1.90  26.170% * 12.0172% (0.84   1.0  1.00   3.27  54.62) =   4.755%  kept
          HG2   GLN   30 - HA    HIS  122  19.03 +/- 4.98   1.289% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   28 - HA    HIS  122  22.00 +/- 5.57   0.791% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  26.44 +/- 3.24   0.082% *  0.0361% (0.41   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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 75.8:
    * O T HA    HIS  122 - HB2   HIS  122   2.62 +/- 0.26  96.079% * 99.8702% (1.00  10.0 10.00   3.44  75.84) =  99.998%  kept
          HA    VAL   41 - HB2   HIS  122  12.49 +/- 4.81   1.950% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HB2   HIS  122  21.14 +/- 3.58   1.551% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.71 +/- 2.48   0.420% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.39, residual support = 75.7:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  95.062% * 85.9727% (1.00  10.0 10.00   4.40  75.84) =  99.305%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.26 +/- 1.99   4.099% * 13.9475% (0.84   1.0  1.00   3.88  54.62) =   0.695%  kept
          HG2   GLN   30 - HB2   HIS  122  17.76 +/- 4.71   0.551% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  21.13 +/- 5.26   0.240% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  24.77 +/- 3.41   0.048% *  0.0353% (0.41   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 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.82, residual support = 75.8:
    * O T HA    HIS  122 - HB3   HIS  122   2.62 +/- 0.28  96.927% * 99.8702% (1.00  10.0 10.00   3.82  75.84) =  99.998%  kept
          HA    VAL   41 - HB3   HIS  122  12.49 +/- 5.16   2.111% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HB3   HIS  122  20.72 +/- 3.25   0.579% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.36 +/- 2.48   0.383% *  0.0249% (0.25   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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 75.8:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.673% * 99.8210% (1.00  10.0 10.00   4.40  75.84) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.84 +/- 1.09   0.175% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  17.81 +/- 2.88   0.153% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 203.9:
    * O T HB2   LEU  123 - HA    LEU  123   2.95 +/- 0.15  87.465% * 98.5720% (1.00  10.0 10.00   6.13 203.97) =  99.981%  kept
        T QD    LYS+  99 - HA    LEU  123  13.98 +/- 6.39   2.336% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+ 106 - HA    LEU  123  18.13 +/- 3.96   0.511% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HA    LEU  123   7.80 +/- 0.14   4.827% *  0.0304% (0.31   1.0  1.00   0.02   2.43) =   0.002%
          HD2   LYS+ 111 - HA    LEU  123  20.07 +/- 2.84   0.709% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LEU  123  23.25 +/- 3.60   0.725% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HA    LEU  123  18.24 +/- 6.33   0.993% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LEU  123  20.88 +/- 3.18   0.532% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LEU  123  19.74 +/- 5.86   0.486% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HA    LEU  123  15.48 +/- 3.04   0.978% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.81 +/- 2.78   0.307% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  27.95 +/- 4.25   0.131% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 204.0:
    * O T HB3   LEU  123 - HA    LEU  123   2.62 +/- 0.14  96.990% * 99.6484% (1.00  10.0 10.00   5.49 203.97) =  99.998%  kept
          QB    ALA   57 - HA    LEU  123  13.39 +/- 3.14   1.724% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HA    LEU  123  20.36 +/- 3.11   0.448% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  20.29 +/- 4.78   0.343% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  21.33 +/- 2.85   0.221% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  21.62 +/- 3.88   0.273% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 203.9:
    * O T HG    LEU  123 - HA    LEU  123   2.95 +/- 0.76  80.548% * 98.6685% (0.69  10.0 10.00   5.41 203.97) =  99.974%  kept
          HG3   PRO   68 - HA    LEU  123  14.56 +/- 7.17   5.559% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.009%
        T HB    ILE   56 - HA    LEU  123  15.59 +/- 3.16   1.401% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PRO   52 - HA    LEU  123  21.95 +/- 5.29   2.640% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HA    LEU  123  14.12 +/- 5.32   2.063% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    LEU  123  12.61 +/- 5.33   3.554% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LEU  123  20.45 +/- 4.19   0.668% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  20.42 +/- 4.80   0.493% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  17.11 +/- 3.59   0.792% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    LEU  123  20.94 +/- 3.91   0.467% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU  123  17.35 +/- 3.96   0.837% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  29.75 +/- 5.05   0.352% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  19.98 +/- 4.28   0.495% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  28.28 +/- 3.05   0.131% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 203.7:
    *   T QD1   LEU  123 - HA    LEU  123   2.77 +/- 0.70  84.375% * 98.0881% (1.00 10.00   5.99 203.97) =  99.866%  kept
          QG1   VAL   70 - HA    LEU  123  10.90 +/- 4.79   6.451% *  1.6165% (0.92  1.00   0.36   0.02) =   0.126%  kept
          QD1   LEU   71 - HA    LEU  123  14.66 +/- 4.73   3.193% *  0.0981% (1.00  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HA    LEU  123  14.76 +/- 3.43   2.232% *  0.0819% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HA    LEU  123  15.61 +/- 6.47   1.908% *  0.0819% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    LEU  123  12.99 +/- 3.58   1.841% *  0.0335% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 2.92 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 204.0:
    *   T QD2   LEU  123 - HA    LEU  123   3.01 +/- 0.38  94.439% * 99.9316% (1.00 10.00   4.89 203.97) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.16 +/- 0.35   3.777% *  0.0486% (0.49  1.00   0.02   2.43) =   0.002%
          HB3   LEU  104 - HA    LEU  123  15.61 +/- 6.47   1.784% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 203.9:
    * O T HA    LEU  123 - HB2   LEU  123   2.95 +/- 0.15  91.604% * 98.7431% (1.00  10.0 10.00   6.13 203.97) =  99.989%  kept
        T HA    LYS+  99 - HB2   LEU  123  17.70 +/- 5.19   0.685% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   56 - HB2   LEU  123  14.71 +/- 2.86   1.424% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HB2   LEU  123  12.39 +/- 1.59   2.175% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  13.10 +/- 2.76   1.886% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   LEU  123  16.56 +/- 4.80   0.938% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB2   LEU  123  22.04 +/- 4.28   0.344% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  21.96 +/- 4.71   0.571% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  26.87 +/- 5.30   0.373% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.44, residual support = 203.9:
    * O T HG    LEU  123 - HB2   LEU  123   2.63 +/- 0.34  87.644% * 97.8726% (0.69  10.0 10.00   5.45 203.97) =  99.984%  kept
        T QB    LYS+ 106 - HB2   LEU  123  16.02 +/- 3.17   0.510% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - HB2   LEU  123  15.92 +/- 6.50   1.411% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB2   LEU  123  21.09 +/- 4.80   1.782% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HB2   LEU  123  17.78 +/- 3.02   0.411% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB2   LEU  123  13.19 +/- 4.80   1.347% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HB2   LEU  123  13.32 +/- 5.10   3.961% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB2   LEU  123  29.00 +/- 4.77   0.674% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   LEU  123  20.57 +/- 3.36   0.349% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HB2   LEU  123  19.90 +/- 4.15   0.283% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  14.58 +/- 2.97   0.995% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  21.56 +/- 3.65   0.240% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  19.64 +/- 3.63   0.283% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  28.21 +/- 2.95   0.110% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 203.9:
    * O T QD1   LEU  123 - HB2   LEU  123   2.45 +/- 0.36  87.208% * 99.6081% (1.00  10.0 10.00   5.99 203.97) =  99.988%  kept
          QG1   VAL   18 - HB2   LEU  123  15.72 +/- 3.55   8.021% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   70 - HB2   LEU  123  11.78 +/- 4.26   1.905% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  15.25 +/- 5.74   1.115% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU  123  15.76 +/- 4.15   0.714% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  13.32 +/- 3.70   1.037% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 4.98, residual support = 203.2:
    * O T QD2   LEU  123 - HB2   LEU  123   2.88 +/- 0.22  94.187% * 92.4894% (1.00  10.0 10.00   5.00 203.97) =  99.615%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.25 +/- 0.57   4.489% *  7.4923% (0.49   1.0 10.00   0.33   2.43) =   0.385%  kept
          HB3   LEU  104 - HB2   LEU  123  15.25 +/- 5.74   1.325% *  0.0183% (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 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 203.9:
    * O T HA    LEU  123 - HG    LEU  123   2.95 +/- 0.76  86.267% * 99.5102% (0.69  10.0 10.00   5.41 203.97) =  99.990%  kept
          HA    ILE   56 - HG    LEU  123  13.89 +/- 3.37   3.381% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.004%
          HA    PRO   58 - HG    LEU  123  11.90 +/- 3.29   4.605% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU  123  12.61 +/- 1.61   2.028% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU  123  16.68 +/- 4.66   1.298% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU  123  18.17 +/- 5.05   0.761% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU  123  22.19 +/- 4.03   0.479% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG    LEU  123  21.13 +/- 4.26   0.752% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  26.02 +/- 4.84   0.429% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.44, residual support = 203.9:
    * O T HB2   LEU  123 - HG    LEU  123   2.63 +/- 0.34  89.217% * 96.6014% (0.69  10.0 10.00   5.45 203.97) =  99.968%  kept
        T HG3   PRO   93 - HG    LEU  123  19.36 +/- 3.61   0.937% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.010%
        T HD2   LYS+ 111 - HG    LEU  123  18.28 +/- 3.18   1.032% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+ 102 - HG    LEU  123  20.24 +/- 5.00   0.343% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG    LEU  123  14.85 +/- 2.89   0.859% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   92 - HG    LEU  123  21.98 +/- 3.93   1.514% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG    LEU  123   7.83 +/- 0.71   3.531% *  0.0298% (0.21   1.0  1.00   0.02   2.43) =   0.001%
          QD    LYS+  99 - HG    LEU  123  15.03 +/- 5.39   1.197% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG    LEU  123  19.52 +/- 5.24   0.577% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  17.70 +/- 3.65   0.389% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  20.68 +/- 2.87   0.269% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  27.48 +/- 3.83   0.135% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 203.9:
    * O T HB3   LEU  123 - HG    LEU  123   2.73 +/- 0.14  93.607% * 97.8109% (0.69  10.0 10.00   5.12 203.97) =  99.968%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.57 +/- 3.28   2.663% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.026%
        T QD    LYS+  33 - HG    LEU  123  21.27 +/- 4.10   0.316% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG    LEU  123  12.22 +/- 3.28   2.727% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   ARG+  54 - HG    LEU  123  20.16 +/- 3.90   0.430% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG    LEU  123  20.90 +/- 2.82   0.257% *  0.0554% (0.39   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 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.57, residual support = 204.0:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.02  95.167% * 99.6081% (0.69  10.0 10.00   5.57 203.97) =  99.996%  kept
          QG1   VAL   70 - HG    LEU  123  11.26 +/- 4.02   1.765% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  123  15.00 +/- 3.10   1.270% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HG    LEU  123  15.40 +/- 3.82   0.423% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  16.10 +/- 5.61   0.501% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  12.47 +/- 3.27   0.874% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.57, residual support = 204.0:
    * O T QD2   LEU  123 - HG    LEU  123   2.11 +/- 0.02  98.386% * 99.9316% (0.69  10.0 10.00   4.57 203.97) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.65 +/- 0.65   1.096% *  0.0486% (0.33   1.0  1.00   0.02   2.43) =   0.001%
          HB3   LEU  104 - HG    LEU  123  16.10 +/- 5.61   0.518% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 203.9:
    *   T HA    LEU  123 - QD1   LEU  123   2.77 +/- 0.70  79.685% * 99.5102% (1.00 10.00   5.99 203.97) =  99.985%  kept
          HA    ILE   56 - QD1   LEU  123  10.53 +/- 2.62   3.860% *  0.0975% (0.98  1.00   0.02   0.02) =   0.005%
          HA    PRO   58 - QD1   LEU  123   8.83 +/- 2.63   8.577% *  0.0373% (0.38  1.00   0.02   0.02) =   0.004%
          HA    ASP- 113 - QD1   LEU  123   9.88 +/- 1.25   3.897% *  0.0524% (0.53  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - QD1   LEU  123  14.51 +/- 4.11   1.080% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD1   LEU  123  13.21 +/- 3.75   1.483% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU  123  17.99 +/- 3.27   0.507% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU  123  17.23 +/- 3.38   0.540% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  21.32 +/- 3.91   0.371% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 5.98, residual support = 203.0:
    * O T HB2   LEU  123 - QD1   LEU  123   2.45 +/- 0.36  81.357% * 94.4923% (1.00  10.0 10.00   5.99 203.97) =  99.497%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.84 +/- 0.50   7.796% *  4.8989% (0.31   1.0  1.00   3.36   2.43) =   0.494%  kept
          HD2   LYS+ 111 - QD1   LEU  123  14.57 +/- 2.20   2.199% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD1   LEU  123  17.36 +/- 3.32   1.519% *  0.0757% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU  123  15.19 +/- 3.05   0.983% *  0.0943% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  12.04 +/- 4.35   1.988% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD1   LEU  123  11.67 +/- 2.20   1.548% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  123  16.44 +/- 3.88   0.493% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD1   LEU  123  15.93 +/- 4.06   0.799% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  123  14.09 +/- 2.82   0.718% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  16.35 +/- 2.62   0.458% *  0.0611% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  21.94 +/- 3.14   0.143% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 203.9:
    * O T HB3   LEU  123 - QD1   LEU  123   2.98 +/- 0.27  83.208% * 99.6484% (1.00  10.0 10.00   5.67 203.97) =  99.983%  kept
          QB    ALA   57 - QD1   LEU  123   9.31 +/- 2.67  11.858% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.012%
          HD3   LYS+ 111 - QD1   LEU  123  14.81 +/- 2.43   2.405% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  33 - QD1   LEU  123  17.13 +/- 3.57   0.864% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  16.40 +/- 2.48   0.689% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  15.83 +/- 2.94   0.976% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.57, residual support = 203.9:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.02  84.105% * 98.8924% (0.69  10.0 10.00   5.57 203.97) =  99.988%  kept
          HG3   PRO   68 - QD1   LEU  123  11.75 +/- 5.04   2.168% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   52 - QD1   LEU  123  16.14 +/- 3.95   1.674% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QD1   LEU  123   9.34 +/- 4.09   6.847% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD1   LEU  123  10.98 +/- 3.84   1.118% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QD1   LEU  123  15.29 +/- 3.01   0.400% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QD1   LEU  123  10.50 +/- 2.83   1.619% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  23.01 +/- 3.94   0.437% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  13.14 +/- 2.52   0.440% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  16.50 +/- 3.20   0.226% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.30 +/- 3.13   0.263% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.03 +/- 2.32   0.375% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  16.09 +/- 2.92   0.241% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  22.34 +/- 2.40   0.088% *  0.0815% (0.57   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 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 204.0:
    * O T QD2   LEU  123 - QD1   LEU  123   2.08 +/- 0.04  96.992% * 99.7540% (1.00  10.0 10.00   4.94 203.97) =  99.997%  kept
        T HB3   LEU  104 - QD1   LEU  123  12.80 +/- 4.55   0.937% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD1   LEU  123   7.60 +/- 0.50   2.071% *  0.0486% (0.49   1.0  1.00   0.02   2.43) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 203.9:
    *   T HA    LEU  123 - QD2   LEU  123   3.01 +/- 0.38  82.424% * 99.5102% (1.00 10.00   4.89 203.97) =  99.988%  kept
          HA    ILE   56 - QD2   LEU  123  11.85 +/- 3.07   3.934% *  0.0975% (0.98  1.00   0.02   0.02) =   0.005%
          HA    PRO   58 - QD2   LEU  123  10.08 +/- 3.10   7.595% *  0.0373% (0.38  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD2   LEU  123  10.90 +/- 1.39   2.601% *  0.0524% (0.53  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - QD2   LEU  123  16.12 +/- 3.90   0.821% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD2   LEU  123  14.85 +/- 3.74   1.249% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD2   LEU  123  19.33 +/- 3.36   0.462% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD2   LEU  123  18.24 +/- 3.48   0.550% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  22.19 +/- 4.16   0.364% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 203.9:
    * O T HB2   LEU  123 - QD2   LEU  123   2.88 +/- 0.22  78.786% * 99.0560% (1.00  10.0 10.00   5.00 203.97) =  99.969%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.98 +/- 0.31   3.891% *  0.3057% (0.31   1.0 10.00   0.02   2.43) =   0.015%
          HD2   LYS+ 111 - QD2   LEU  123  15.76 +/- 2.90   4.685% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB3   MET   92 - QD2   LEU  123  19.03 +/- 3.96   4.786% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HG3   PRO   93 - QD2   LEU  123  16.77 +/- 3.43   1.265% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - QD2   LEU  123  12.72 +/- 2.73   2.255% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD2   LEU  123  13.32 +/- 4.28   1.503% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU  123  16.85 +/- 4.39   1.073% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU  123  17.82 +/- 3.97   0.469% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD2   LEU  123  18.11 +/- 2.78   0.477% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.76 +/- 2.52   0.601% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.72 +/- 3.56   0.210% *  0.0407% (0.41   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 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 204.0:
    * O T HB3   LEU  123 - QD2   LEU  123   2.19 +/- 0.33  93.708% * 99.6484% (1.00  10.0 10.00   4.56 203.97) =  99.994%  kept
          QB    ALA   57 - QD2   LEU  123  10.25 +/- 3.09   2.990% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - QD2   LEU  123  16.02 +/- 2.99   2.388% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - QD2   LEU  123  18.37 +/- 3.54   0.319% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  18.13 +/- 2.80   0.224% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  16.94 +/- 3.38   0.372% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.57, residual support = 203.9:
    * O T HG    LEU  123 - QD2   LEU  123   2.11 +/- 0.02  78.918% * 98.6685% (0.69  10.0 10.00   4.57 203.97) =  99.985%  kept
          QB    LYS+  66 - QD2   LEU  123  10.45 +/- 4.40  14.508% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - QD2   LEU  123  12.67 +/- 5.59   1.784% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T HB    ILE   56 - QD2   LEU  123  12.03 +/- 3.16   0.887% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - QD2   LEU  123  24.57 +/- 4.87   1.298% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - QD2   LEU  123  17.45 +/- 4.51   0.737% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  12.86 +/- 3.56   0.518% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD2   LEU  123  16.39 +/- 3.49   0.328% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD2   LEU  123  14.83 +/- 2.26   0.258% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.30 +/- 3.09   0.142% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  18.54 +/- 3.07   0.172% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  15.90 +/- 2.13   0.216% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.94 +/- 2.75   0.145% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  23.82 +/- 3.13   0.087% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 204.0:
    * O T QD1   LEU  123 - QD2   LEU  123   2.08 +/- 0.04  93.889% * 99.6081% (1.00  10.0 10.00   4.94 203.97) =  99.995%  kept
          QG1   VAL   70 - QD2   LEU  123  10.00 +/- 3.28   1.979% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD2   LEU  123  13.02 +/- 2.72   1.703% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU  123  13.48 +/- 3.14   0.609% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  123  10.97 +/- 2.71   1.328% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  14.56 +/- 4.32   0.492% *  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 = 9.12:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  86.259% * 97.4620% (1.00  10.0 10.00   1.00   9.12) =  99.995%  kept
        T HB2   LEU   31 - HA    ALA   34   7.62 +/- 0.36   1.919% *  0.0730% (0.07   1.0 10.00   0.02  11.78) =   0.002%
        T HB2   LEU   31 - HA    ALA  124  23.41 +/- 4.76   0.106% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ALA  124  26.73 +/- 3.34   0.070% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA  124 - HA    ALA   34  17.95 +/- 4.87   0.314% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  16.76 +/- 2.82   0.266% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  20.14 +/- 5.65   0.153% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  20.94 +/- 3.06   0.111% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  17.49 +/- 7.77   0.374% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.74 +/- 2.35   3.049% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.46 +/- 1.92   0.946% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  20.69 +/- 7.83   0.429% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.81 +/- 1.73   0.098% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.08 +/- 3.38   0.133% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.80 +/- 2.25   0.081% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.78 +/- 0.52   2.804% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.32 +/- 2.82   0.183% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  20.48 +/- 5.02   0.131% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  22.47 +/- 6.93   0.139% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  31.28 +/- 4.90   0.034% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.76 +/- 1.45   0.195% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.75 +/- 1.95   0.208% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  13.21 +/- 2.50   0.828% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.39 +/- 2.86   0.077% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  21.32 +/- 5.33   0.133% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  12.36 +/- 2.36   0.575% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.82 +/- 1.75   0.075% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  16.72 +/- 1.58   0.196% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  27.91 +/- 2.74   0.044% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  25.92 +/- 3.67   0.069% *  0.0028% (0.03   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 1629 (1.35, 1.35, 61.60 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 61.60 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.12:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  98.173% * 98.8388% (1.00  10.0 10.00   1.00   9.12) =  99.996%  kept
        T HA    ASN   28 - QB    ALA  124  21.32 +/- 4.71   0.408% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ALA   34 - QB    ALA  124  17.95 +/- 4.87   0.358% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA  124  20.41 +/- 5.90   0.320% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  19.73 +/- 3.07   0.174% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.29 +/- 0.94   0.339% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.23 +/- 3.19   0.056% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  20.27 +/- 5.76   0.173% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 204.0:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  99.031% * 97.4949% (1.00  10.0 10.00   5.51 203.97) =  99.996%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.25 +/- 2.98   0.290% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HB2   LEU  123  21.46 +/- 4.18   0.081% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LEU  123  13.12 +/- 2.77   0.454% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  21.78 +/- 2.90   0.062% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  21.20 +/- 3.36   0.081% *  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 = 5.51, residual support = 204.0:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  97.224% * 96.4170% (0.99  10.0 10.00   5.51 203.97) =  99.994%  kept
        T HD2   LYS+ 111 - HB3   LEU  123  19.00 +/- 3.04   0.274% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HB3   LEU  123  19.67 +/- 5.68   0.166% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  20.42 +/- 5.48   0.106% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB3   LEU  123  16.44 +/- 3.01   0.191% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LEU  123   8.09 +/- 0.64   1.099% *  0.0365% (0.38   1.0  1.00   0.02   2.43) =   0.000%
          HB3   MET   92 - HB3   LEU  123  23.15 +/- 4.12   0.273% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  28.70 +/- 4.30   0.030% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  20.75 +/- 3.35   0.124% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  15.10 +/- 5.76   0.326% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  18.22 +/- 3.66   0.121% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.02 +/- 3.16   0.066% *  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 = 5.67, residual support = 203.9:
    * O T QD1   LEU  123 - HB3   LEU  123   2.98 +/- 0.27  84.305% * 99.6081% (1.00  10.0 10.00   5.67 203.97) =  99.985%  kept
          QG1   VAL   18 - HB3   LEU  123  16.05 +/- 3.59   9.279% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   70 - HB3   LEU  123  12.28 +/- 4.25   2.865% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HB3   LEU  123  16.14 +/- 4.28   1.089% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  16.36 +/- 5.94   0.951% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  14.05 +/- 3.37   1.511% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 204.0:
    * O T QD2   LEU  123 - HB3   LEU  123   2.19 +/- 0.33  96.604% * 99.9316% (1.00  10.0 10.00   4.56 203.97) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.46 +/- 0.69   2.054% *  0.0486% (0.49   1.0  1.00   0.02   2.43) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  16.36 +/- 5.94   1.343% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 203.9:
    * O T HG    LEU  123 - HB3   LEU  123   2.73 +/- 0.14  88.694% * 95.7694% (0.69  10.0 10.00   5.12 203.97) =  99.963%  kept
        T HG3   PRO   68 - HB3   LEU  123  16.09 +/- 6.74   1.531% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.023%
        T HG2   ARG+  54 - HB3   LEU  123  21.06 +/- 3.87   0.323% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  33 - HB3   LEU  123  22.04 +/- 3.70   0.234% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HB3   LEU  123  14.43 +/- 4.97   1.252% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB3   LEU  123  21.84 +/- 5.22   1.251% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   LEU  123  13.67 +/- 5.10   3.667% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB3   LEU  123  29.89 +/- 5.38   0.799% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HB3   LEU  123  17.15 +/- 3.28   0.441% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  21.02 +/- 4.37   0.254% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  15.43 +/- 3.26   0.842% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  20.74 +/- 3.84   0.250% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  18.72 +/- 3.20   0.361% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  28.97 +/- 3.40   0.099% *  0.0789% (0.57   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 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 204.0:
    * O T HA    LEU  123 - HB3   LEU  123   2.62 +/- 0.14  95.013% * 99.5102% (1.00  10.0 10.00   5.49 203.97) =  99.997%  kept
          HA    ILE   56 - HB3   LEU  123  15.45 +/- 3.16   0.776% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB3   LEU  123  13.41 +/- 1.64   0.991% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU  123  13.61 +/- 3.25   1.353% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB3   LEU  123  18.54 +/- 5.41   0.439% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  17.30 +/- 5.05   0.683% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  22.64 +/- 4.51   0.258% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  22.24 +/- 4.45   0.283% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  27.03 +/- 5.13   0.203% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 5.62, residual support = 313.0:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  88.505% * 76.1572% (1.00  10.0   5.58 313.01) =  97.079%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.88 +/- 0.25   8.624% * 23.5057% (0.31  10.0   7.03 313.01) =   2.920%  kept
          HG    LEU  104 - HD3   LYS+ 121  12.45 +/- 7.45   1.270% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  15.95 +/- 4.72   0.444% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  19.94 +/- 4.48   0.166% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  14.57 +/- 5.18   0.550% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  19.06 +/- 2.55   0.087% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  14.52 +/- 3.10   0.243% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  21.11 +/- 2.18   0.057% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  21.44 +/- 2.25   0.054% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 313.0:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.74 +/- 0.25  91.912% * 99.7211% (1.00  10.0   6.28 313.01) =  99.994%  kept
          QG2   VAL  107 - HD3   LYS+ 121  10.30 +/- 3.32   3.115% *  0.0921% (0.92   1.0   0.02   0.02) =   0.003%
          HG13  ILE  119 - HD3   LYS+ 121   9.48 +/- 0.73   2.356% *  0.0308% (0.31   1.0   0.02   7.60) =   0.001%
          QB    ALA   20 - HD3   LYS+ 121  19.47 +/- 3.87   0.895% *  0.0799% (0.80   1.0   0.02   0.02) =   0.001%
          HG13  ILE  103 - HD3   LYS+ 121  14.97 +/- 5.53   1.305% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LEU   31 - HD3   LYS+ 121  18.65 +/- 4.36   0.417% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 313.0:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.44 +/- 0.28  95.639% * 98.9917% (1.00  10.0 10.00   5.98 313.01) =  99.990%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.51 +/- 1.39   0.836% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - HD3   LYS+ 121  14.96 +/- 2.86   0.894% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD3   LYS+ 121   9.46 +/- 0.85   2.198% *  0.0482% (0.49   1.0  1.00   0.02   2.43) =   0.001%
          HG    LEU   31 - HD3   LYS+ 121  18.87 +/- 4.30   0.434% *  0.0220% (0.22   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 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.11, residual support = 313.0:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.33 +/- 0.22  83.447% * 99.2313% (1.00  10.0  1.00   7.11 313.01) =  99.988%  kept
        T HD3   LYS+ 111 - HD3   LYS+ 121  16.68 +/- 3.33   0.957% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HD3   LYS+ 121  15.30 +/- 7.09   4.339% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU  123 - HD3   LYS+ 121   8.42 +/- 1.12   6.833% *  0.0306% (0.31   1.0  1.00   0.02   2.43) =   0.003%
          QD    LYS+  38 - HD3   LYS+ 121  18.13 +/- 5.26   1.130% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD3   LYS+ 121  17.49 +/- 2.54   0.761% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD3   LYS+ 121  14.83 +/- 2.07   1.342% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  25.01 +/- 4.37   0.261% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  21.01 +/- 1.90   0.350% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.92 +/- 2.12   0.581% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.71, residual support = 309.6:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.46 +/- 0.13  92.747% * 83.7768% (1.00  10.0   5.72 313.01) =  98.674%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.24 +/- 1.35   6.478% * 16.1151% (0.84   1.0   4.61  54.62) =   1.326%  kept
          HG2   GLN   30 - HD3   LYS+ 121  21.34 +/- 4.89   0.450% *  0.0575% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  23.22 +/- 5.43   0.241% *  0.0376% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  26.68 +/- 2.51   0.084% *  0.0129% (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 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 6.62, residual support = 306.9:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   3.99 +/- 0.87  59.069% * 88.0815% (1.00 10.00   6.69 313.01) =  98.023%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.57 +/- 0.95   9.158% * 11.1897% (0.76  1.00   3.32   2.58) =   1.931%  kept
          QB    SER  117 - HD3   LYS+ 121   7.00 +/- 2.33  24.148% *  0.0736% (0.84  1.00   0.02   0.02) =   0.033%
        T HA    LYS+  65 - HD3   LYS+ 121  18.45 +/- 2.42   1.093% *  0.3005% (0.34 10.00   0.02   0.02) =   0.006%
          HB    THR   94 - HD3   LYS+ 121  17.39 +/- 2.85   1.025% *  0.0873% (0.99  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HD3   LYS+ 121  21.19 +/- 5.64   2.167% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD3   LYS+ 121  24.53 +/- 2.94   0.818% *  0.0873% (0.99  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD3   LYS+ 121  14.19 +/- 1.54   1.705% *  0.0245% (0.28  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+ 121  23.71 +/- 3.07   0.497% *  0.0833% (0.95  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD3   LYS+ 121  26.52 +/- 3.84   0.319% *  0.0362% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.69, residual support = 313.0:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.65 +/- 0.15  91.498% * 99.7211% (0.84  10.0 10.00   7.69 313.01) =  99.995%  kept
          QG2   VAL  107 - HB3   LYS+ 121   9.64 +/- 2.71   2.676% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HB3   LYS+ 121   8.05 +/- 0.64   3.634% *  0.0308% (0.26   1.0  1.00   0.02   7.60) =   0.001%
          QB    ALA   20 - HB3   LYS+ 121  18.59 +/- 3.53   0.717% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB3   LYS+ 121  14.33 +/- 4.92   0.988% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   LYS+ 121  17.75 +/- 4.50   0.486% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.02, residual support = 313.0:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.49 +/- 0.27  94.608% * 99.5295% (0.84  10.0 10.00   7.02 313.01) =  99.994%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  13.89 +/- 2.82   0.965% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HB3   LYS+ 121   8.36 +/- 0.23   2.862% *  0.0484% (0.41   1.0  1.00   0.02   2.43) =   0.001%
          QD1   ILE   56 - HB3   LYS+ 121  11.81 +/- 0.98   1.037% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  17.90 +/- 4.57   0.528% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.77, residual support = 313.0:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  97.107% * 97.1314% (0.84  10.0 10.00   8.77 313.01) =  99.993%  kept
        T QD    LYS+ 102 - HB3   LYS+ 121  15.20 +/- 6.46   0.393% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB3   LYS+ 121  16.39 +/- 2.18   0.181% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HB3   LYS+ 121  17.49 +/- 5.09   0.160% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB3   LYS+ 121   7.04 +/- 0.28   1.523% *  0.0300% (0.26   1.0  1.00   0.02   2.43) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  16.52 +/- 2.50   0.155% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  13.92 +/- 1.83   0.242% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  24.08 +/- 4.36   0.049% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.96 +/- 2.52   0.078% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.94 +/- 2.17   0.112% *  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 = 0.801, support = 6.64, residual support = 249.8:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.93 +/- 0.37  65.593% * 59.3701% (0.84  1.00   6.99 313.01) =  75.527%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.70 +/- 1.22  32.020% * 39.3611% (0.70  1.00   5.55  54.62) =  24.443%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  20.22 +/- 4.70   1.244% *  1.1665% (0.57 10.00   0.02   0.02) =   0.028%
          HB3   ASN   28 - HB3   LYS+ 121  22.33 +/- 5.62   0.876% *  0.0761% (0.37  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB3   LYS+ 121  25.77 +/- 2.46   0.267% *  0.0262% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.832, support = 8.16, residual support = 307.8:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.64 +/- 0.21  81.447% * 83.4945% (0.84  10.0 10.00   8.22 313.01) =  98.336%  kept
          HA    ALA  120 - HB3   LYS+ 121   6.05 +/- 0.28   7.181% * 14.9695% (0.64   1.0  1.00   4.69   2.58) =   1.555%  kept
          QB    SER  117 - HB3   LYS+ 121   6.68 +/- 1.20   8.034% *  0.9148% (0.70   1.0  1.00   0.26   0.02) =   0.106%  kept
        T HA    LYS+  65 - HB3   LYS+ 121  17.29 +/- 2.22   0.388% *  0.2848% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB3   LYS+ 121  16.36 +/- 2.66   0.444% *  0.0828% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB3   LYS+ 121  20.31 +/- 5.53   1.050% *  0.0343% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB3   LYS+ 121  12.99 +/- 1.75   1.042% *  0.0232% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  22.94 +/- 2.89   0.161% *  0.0790% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  23.67 +/- 2.75   0.140% *  0.0828% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  25.81 +/- 3.48   0.113% *  0.0343% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.784, support = 8.59, residual support = 313.0:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  66.050% * 55.3563% (0.84  10.0 10.00   8.77 313.01) =  72.678%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.35 +/- 0.42  32.053% * 42.8727% (0.65  10.0 10.00   8.11 313.01) =  27.316%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  14.38 +/- 4.02   0.295% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU  104 - HB2   LYS+ 121  12.10 +/- 6.78   1.007% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HB2   LYS+ 121  17.20 +/- 1.89   0.082% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.81 +/- 2.48   0.053% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.51 +/- 1.87   0.052% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  13.63 +/- 2.21   0.177% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  18.79 +/- 4.39   0.230% *  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 = 0.76, support = 7.98, residual support = 308.3:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.64 +/- 0.21  36.283% * 52.0655% (0.84  10.0 10.00   8.22 313.01) =  68.673%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.60 +/- 0.66  19.515% * 40.3240% (0.65   1.0 10.00   7.65 313.01) =  28.607%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.12 +/- 0.81  28.785% *  2.2150% (0.04  10.0 10.00   5.39 159.52) =   2.318%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.36 +/- 0.61   2.780% *  3.7757% (0.06   1.0 10.00   5.56  30.49) =   0.382%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.53 +/- 4.48   0.372% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU  104 - HA    LYS+ 121  13.25 +/- 7.21   2.573% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.005%
        T HD3   LYS+  74 - HA    LYS+  65   8.72 +/- 3.78   4.245% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  65 - HA    LYS+ 121  19.03 +/- 2.09   0.101% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  22.13 +/- 2.66   0.066% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+ 121  15.16 +/- 2.15   0.248% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  20.25 +/- 4.44   0.346% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.29 +/- 2.22   0.148% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   8.85 +/- 2.98   3.827% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.56 +/- 2.17   0.129% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.81 +/- 2.02   0.070% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.13 +/- 2.18   0.283% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  19.12 +/- 3.30   0.128% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.03 +/- 2.43   0.103% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.981, support = 6.66, residual support = 310.1:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   3.99 +/- 0.87  23.986% * 97.6597% (1.00   1.0 10.00   6.69 313.01) =  98.125%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.26 +/- 0.47  36.149% *  1.2130% (0.01  10.0 10.00   5.27 159.52) =   1.837%  kept
          HG12  ILE   19 - HA    LYS+ 121  19.16 +/- 5.48   8.691% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.022%
        T HG3   LYS+  33 - HA    LYS+ 121  21.90 +/- 4.81   0.290% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - HA    LYS+ 121  14.00 +/- 4.96   0.820% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HA    LYS+ 121  18.98 +/- 2.40   0.236% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HA    LYS+ 121  13.86 +/- 2.21   0.918% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+  65   8.75 +/- 2.87   3.869% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+ 121  24.72 +/- 5.22   0.386% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    LYS+ 121  15.35 +/- 1.45   0.443% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  18.45 +/- 2.42   0.287% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+ 121  21.33 +/- 2.28   0.171% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   6.15 +/- 1.13   7.835% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  13.47 +/- 3.37   0.725% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  17.07 +/- 5.10   0.502% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.50 +/- 0.88   6.656% *  0.0012% (0.01   1.0  1.00   0.02   0.29) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  26.88 +/- 4.50   0.082% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.10 +/- 2.52   0.256% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.49 +/- 4.98   0.079% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  12.39 +/- 3.68   0.971% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.12 +/- 3.11   0.240% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  15.30 +/- 2.77   0.567% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.42 +/- 2.35   2.411% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  18.00 +/- 2.99   0.474% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  18.45 +/- 3.65   0.515% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.29 +/- 2.76   0.471% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  11.01 +/- 1.67   1.600% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  17.68 +/- 4.11   0.371% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 26.01 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 26.66 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.3, residual support = 223.9:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  91.384% * 92.4393% (1.00  10.0 10.00   6.30 224.46) =  99.734%  kept
          QB    GLU- 114 - HB3   LEU  115   5.34 +/- 0.46   3.489% *  6.3506% (0.31   1.0  1.00   4.45  21.22) =   0.262%  kept
        T HB2   LEU   67 - HB3   LEU  115  14.47 +/- 2.21   0.202% *  0.7402% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - HB3   LEU  115   9.55 +/- 2.04   1.095% *  0.0922% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HB3   LEU   40   9.87 +/- 3.54   0.907% *  0.0868% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HB3   LEU   40  16.66 +/- 2.29   0.136% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.81 +/- 3.28   0.355% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  17.96 +/- 4.47   0.158% *  0.0486% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.07 +/- 1.36   0.247% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.10 +/- 2.50   0.135% *  0.0414% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  10.60 +/- 3.87   0.764% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.66 +/- 4.73   0.329% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.57 +/- 3.46   0.412% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.04 +/- 2.78   0.076% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.64 +/- 2.79   0.228% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  23.43 +/- 4.89   0.082% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 7.18, residual support = 238.0:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  94.935% * 98.3538% (1.00  10.0 10.00   7.18 238.06) =  99.995%  kept
        T HB    VAL   42 - HB3   LYS+ 112  15.91 +/- 3.18   0.280% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HB3   LYS+ 112   8.68 +/- 2.25   1.877% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HB3   LYS+ 112  19.28 +/- 6.42   0.896% *  0.0964% (0.98   1.0  1.00   0.02   0.11) =   0.001%
          HB3   ASP-  44 - HB3   LYS+ 112  12.96 +/- 3.43   1.143% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.17 +/- 1.84   0.176% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  16.77 +/- 2.18   0.138% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  17.17 +/- 2.29   0.125% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  24.67 +/- 2.98   0.040% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  17.94 +/- 2.26   0.116% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.57 +/- 2.13   0.129% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  27.60 +/- 3.82   0.033% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  20.18 +/- 3.07   0.087% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  28.93 +/- 4.59   0.027% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.903, support = 4.58, residual support = 237.8:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  74.510% * 54.1508% (0.95  10.0   4.33 238.06) =  81.028%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.07 +/- 0.70  22.687% * 41.3835% (0.72  10.0   5.64 238.06) =  18.855%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   7.91 +/- 1.56   1.334% *  4.3520% (0.36   1.0   4.28  28.90) =   0.117%  kept
          QG2   THR   94 - HD3   LYS+ 112  11.07 +/- 2.57   1.242% *  0.0434% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   LEU   71 - HD3   LYS+ 112  23.09 +/- 4.43   0.102% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  17.30 +/- 3.36   0.126% *  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 = 0.994, support = 6.78, residual support = 311.0:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  67.717% * 96.6947% (1.00  10.0   6.85 315.01) =  98.712%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.57 +/- 1.82  31.189% *  2.7392% (0.57   1.0   1.00   0.11) =   1.288%  kept
          HB    ILE  119 - HB3   LYS+ 111  10.97 +/- 1.69   0.733% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  26.92 +/- 5.35   0.057% *  0.0958% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.83 +/- 3.01   0.042% *  0.0839% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.78 +/- 4.62   0.040% *  0.0867% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  26.94 +/- 4.58   0.027% *  0.0958% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.62 +/- 3.59   0.063% *  0.0398% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  24.19 +/- 3.67   0.042% *  0.0471% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  25.88 +/- 3.63   0.032% *  0.0471% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.82 +/- 3.35   0.035% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  25.93 +/- 2.13   0.022% *  0.0269% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 63.87 ppm):
    1 diagonal assignment:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
 
    Peak 1745 (1.15, 1.15, 62.58 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 60.1:
    * O T QG1   VAL  107 - HA    VAL  107   2.40 +/- 0.42  83.501% * 99.7711% (1.00  10.0 10.00   4.59  60.07) =  99.988%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.50 +/- 2.76  13.331% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.012%
          QG1   VAL   24 - HA    VAL  107  18.62 +/- 3.26   0.298% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  14.10 +/- 3.77   1.223% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.51 +/- 2.61   1.107% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  18.19 +/- 2.81   0.290% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  18.62 +/- 2.11   0.251% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 60.1:
    * O T QG2   VAL  107 - HA    VAL  107   2.55 +/- 0.21  94.281% * 99.7501% (1.00  10.0 10.00   3.62  60.07) =  99.996%  kept
          HG2   LYS+ 121 - HA    VAL  107  11.92 +/- 4.85   2.009% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HA    VAL  107  10.74 +/- 1.39   1.474% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  11.51 +/- 2.61   1.663% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  19.30 +/- 2.54   0.284% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  18.62 +/- 2.11   0.290% *  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 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 3.28, residual support = 40.9:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.92 +/- 0.11  65.146% * 83.9697% (1.00  10.0 10.00   3.23  41.88) =  94.760%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.41 +/- 0.25  19.593% * 15.3954% (0.87   1.0  1.00   4.23  23.72) =   5.225%  kept
          HB    ILE  103 - HA    ASP- 105   6.28 +/- 0.63   7.335% *  0.0832% (0.99   1.0  1.00   0.02   3.32) =   0.011%
          HG12  ILE  103 - HA    ASP- 105   7.32 +/- 0.74   4.625% *  0.0130% (0.15   1.0  1.00   0.02   3.32) =   0.001%
          QB    LYS+  33 - HA    ASP- 105  17.40 +/- 2.46   0.400% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ASP- 105  20.21 +/- 3.98   0.284% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  16.32 +/- 4.73   0.618% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  16.42 +/- 1.84   0.460% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  22.10 +/- 2.59   0.172% *  0.0753% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.22 +/- 2.60   0.154% *  0.0838% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  16.76 +/- 2.54   0.438% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  22.99 +/- 1.59   0.138% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  17.08 +/- 2.93   0.455% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  21.19 +/- 1.71   0.183% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.15 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 = 3.37, residual support = 41.9:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  95.629% * 99.5527% (0.95  10.0 10.00   3.37  41.88) =  99.998%  kept
          HB2   MET   96 - HB3   ASP- 105   8.31 +/- 1.25   2.048% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   ASP- 105  12.90 +/- 1.28   0.267% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  10.47 +/- 3.92   1.271% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  13.31 +/- 3.39   0.427% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  20.22 +/- 2.47   0.079% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.99 +/- 1.96   0.103% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  20.66 +/- 3.23   0.084% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  19.90 +/- 3.75   0.091% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 5.01, residual support = 141.5:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  46.319% * 66.9933% (1.00  10.0  1.00   4.91 135.02) =  67.311%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  46.319% * 32.5339% (0.49  10.0  1.00   5.22 154.86) =  32.688%  kept
          HD3   LYS+  74 - HG3   LYS+  65   9.16 +/- 4.42   6.338% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 111 - HG3   LYS+ 106  14.01 +/- 2.27   0.115% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  10.69 +/- 1.85   0.252% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  19.61 +/- 2.99   0.040% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  18.74 +/- 1.73   0.041% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  20.82 +/- 3.98   0.065% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  19.33 +/- 1.85   0.038% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  19.43 +/- 3.56   0.048% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  15.54 +/- 3.03   0.123% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  23.13 +/- 4.58   0.027% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  19.34 +/- 2.47   0.041% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  18.57 +/- 2.22   0.046% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  23.12 +/- 2.94   0.024% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.15 +/- 2.43   0.051% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.17 +/- 4.31   0.030% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.42 +/- 2.62   0.044% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.07 +/- 3.23   0.014% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  22.43 +/- 2.05   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 = 138.0:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  94.557% * 81.2509% (0.80  10.0 10.00   4.30 138.77) =  99.303%  kept
          QB    LYS+ 102 - HG13  ILE  103   5.96 +/- 0.72   2.946% * 18.2348% (0.73   1.0  1.00   4.95  23.65) =   0.694%  kept
          HB    VAL   41 - HG13  ILE  103   7.80 +/- 1.61   1.762% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG13  ILE  103  14.61 +/- 2.93   0.263% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  18.18 +/- 2.52   0.103% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  17.01 +/- 1.39   0.111% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  17.59 +/- 2.81   0.129% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  20.02 +/- 3.20   0.075% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  21.91 +/- 2.09   0.053% *  0.0534% (0.53   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 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.65, residual support = 186.6:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  93.687% * 99.4757% (0.80  10.0   5.65 186.65) =  99.997%  kept
          HG    LEU   67 - HB3   LYS+  74  10.35 +/- 3.50   2.595% *  0.0310% (0.25   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB3   LYS+  74   9.79 +/- 3.39   1.311% *  0.0557% (0.45   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HB3   LYS+  74  10.07 +/- 3.29   0.842% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HB3   LYS+  74  13.63 +/- 2.83   0.360% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  16.24 +/- 3.78   0.261% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.36 +/- 2.65   0.123% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  13.24 +/- 2.71   0.383% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  15.77 +/- 3.56   0.355% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  19.90 +/- 2.74   0.082% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 217.0:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.182% * 99.3078% (1.00  10.0 10.00   5.17 217.01) =  99.999%  kept
          HG3   LYS+ 111 - HG13  ILE   89  15.67 +/- 3.66   0.259% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  24.26 +/- 3.25   0.047% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  16.24 +/- 2.58   0.154% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  16.19 +/- 3.49   0.210% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  23.72 +/- 3.10   0.052% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  23.03 +/- 2.93   0.054% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  24.91 +/- 4.08   0.043% *  0.0248% (0.25   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 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 50.60 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 57.72 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 57.72 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.1:
    * O T HA    ALA   57 - QB    ALA   57   2.14 +/- 0.01  93.629% * 99.6237% (1.00  10.0 10.00   2.81  24.10) =  99.997%  kept
          HA1   GLY   51 - QB    ALA   57   8.97 +/- 1.64   1.839% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER  117 - QB    ALA   57  12.17 +/- 2.27   0.862% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  13.69 +/- 4.21   1.436% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57  10.27 +/- 2.25   1.373% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  17.00 +/- 4.31   0.313% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.48 +/- 1.96   0.139% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  17.81 +/- 1.78   0.183% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  19.93 +/- 3.49   0.158% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  26.35 +/- 4.34   0.068% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 56.43 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.748% * 97.5263% (1.00  10.0 10.00   2.81  10.17) =  99.998%  kept
          HA    ALA   57 - HA2   GLY   51  10.55 +/- 0.89   0.487% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.18 +/- 3.24   0.086% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  29.14 +/- 3.44   0.028% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  25.76 +/- 2.06   0.035% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  14.04 +/- 1.79   0.224% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  21.35 +/- 2.33   0.064% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  18.19 +/- 2.27   0.100% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  14.99 +/- 1.83   0.214% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  36.00 +/- 5.05   0.015% *  0.0366% (0.38   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 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 = 2.69, residual support = 65.0:
    * O   QG2   VAL   24 - QG1   VAL   24   2.02 +/- 0.06  94.171% * 99.5951% (1.00  10.0  1.00   2.69  64.99) =  99.993%  kept
          HG    LEU   63 - QG1   VAL   24  15.83 +/- 4.38   5.043% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.005%
        T QG1   VAL  107 - QG1   VAL   24  15.09 +/- 2.80   0.416% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL   24  20.62 +/- 4.17   0.370% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 31.51 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 58.05 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.51, residual support = 159.3:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  97.261% * 99.4743% (1.00  10.0 10.00   6.51 159.29) =  99.999%  kept
          HB3   ASN   28 - HG3   GLN   30   8.54 +/- 0.60   0.890% *  0.0918% (0.92   1.0  1.00   0.02  18.12) =   0.001%
          HB3   HIS  122 - HG3   GLN   30  17.73 +/- 4.69   0.616% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  19.10 +/- 4.31   0.242% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.99 +/- 3.74   0.041% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  13.44 +/- 3.20   0.378% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  21.22 +/- 2.22   0.062% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.30 +/- 2.15   0.170% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  17.09 +/- 1.93   0.123% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.41 +/- 3.16   0.028% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.93 +/- 2.33   0.143% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  23.10 +/- 2.13   0.046% *  0.0072% (0.07   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 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 = 154.0:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.73 +/- 0.48  68.615% * 96.1747% (1.00  10.0   4.68 154.86) =  99.455%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.10 +/- 1.19  11.953% *  2.9628% (0.31   1.0   1.99   0.55) =   0.534%  kept
          HB2   ASN   28 - HG2   LYS+  33   9.30 +/- 1.23   2.532% *  0.0943% (0.98   1.0   0.02   0.02) =   0.004%
          HB2   ASN   35 - HG2   LYS+  33   8.42 +/- 0.59   2.906% *  0.0328% (0.34   1.0   0.02   4.66) =   0.001%
          HB2   ASP-  86 - QG    LYS+  81   9.11 +/- 0.83   2.489% *  0.0316% (0.33   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+ 106  19.75 +/- 4.33   1.222% *  0.0523% (0.54   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG2   LYS+ 106  15.90 +/- 4.77   0.989% *  0.0401% (0.42   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+  33  18.63 +/- 2.79   0.392% *  0.0863% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.30 +/- 0.84   3.060% *  0.0103% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  15.07 +/- 4.17   1.936% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  18.79 +/- 7.04   0.544% *  0.0451% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  17.77 +/- 3.72   0.534% *  0.0413% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.90 +/- 3.95   0.328% *  0.0572% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  18.37 +/- 2.05   0.275% *  0.0583% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  23.77 +/- 6.75   0.232% *  0.0661% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  21.43 +/- 4.42   0.236% *  0.0460% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.25 +/- 3.29   0.170% *  0.0622% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.20 +/- 2.68   0.203% *  0.0377% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.31 +/- 3.65   0.316% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.11 +/- 3.08   0.281% *  0.0199% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  19.06 +/- 2.54   0.285% *  0.0130% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.37 +/- 3.79   0.260% *  0.0090% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.83 +/- 4.22   0.120% *  0.0157% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  24.85 +/- 2.33   0.123% *  0.0071% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 154.9:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.25 +/- 0.07  98.269% * 98.2551% (1.00  10.0 10.00   5.63 154.86) =  99.996%  kept
        T HG2   LYS+ 106 - QB    LYS+  33  18.18 +/- 1.72   0.204% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QB    LYS+  33  21.22 +/- 4.38   0.162% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QB    LYS+  33  13.50 +/- 2.55   0.727% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  17.14 +/- 2.32   0.264% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  19.17 +/- 4.15   0.295% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.07 +/- 2.92   0.079% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.978, support = 4.81, residual support = 216.4:
    *     QE    LYS+  38 - HA    LYS+  38   4.19 +/- 0.87  35.144% * 93.8673% (1.00  1.00   4.84 221.00) =  97.521%  kept
          QE    LYS+  99 - HA    GLU- 100   5.89 +/- 0.87  16.973% *  4.3829% (0.05  1.00   4.17  38.83) =   2.199%  kept
          QE    LYS+  99 - HA    LYS+  38   6.41 +/- 1.68  16.270% *  0.3482% (0.90  1.00   0.02   0.02) =   0.167%  kept
          QE    LYS+ 102 - HA    LYS+  38  12.24 +/- 2.89   6.643% *  0.3584% (0.92  1.00   0.02   0.02) =   0.070%
        T HB3   TRP   27 - HA    LYS+  38  15.22 +/- 1.67   0.921% *  0.8644% (0.22 10.00   0.02   0.02) =   0.024%
          QE    LYS+  38 - HA    GLU- 100   7.65 +/- 2.36  14.224% *  0.0235% (0.06  1.00   0.02   0.02) =   0.010%
          QE    LYS+ 102 - HA    GLU- 100   8.84 +/- 1.04   5.227% *  0.0217% (0.06  1.00   0.02   0.02) =   0.003%
          HB2   PHE   97 - HA    LYS+  38  13.52 +/- 1.53   1.339% *  0.0768% (0.20  1.00   0.02   0.02) =   0.003%
        T HB3   TRP   27 - HA    GLU- 100  15.74 +/- 3.26   1.251% *  0.0522% (0.01 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    GLU- 100  11.51 +/- 0.82   2.011% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.01 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 = 0.899, support = 4.78, residual support = 157.4:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.69 +/- 0.51  40.548% * 54.8141% (1.00  10.0 10.00   4.35 159.52) =  55.440%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.70 +/- 0.57  42.059% * 42.4513% (0.77  10.0 10.00   5.31 154.86) =  44.536%  kept
          HB2   ASN   35 - HG3   LYS+ 102  12.47 +/- 4.64  10.352% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.007%
        T QE    LYS+  33 - HG3   LYS+ 102  14.49 +/- 2.88   0.495% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  65 - HG3   LYS+ 106  18.94 +/- 4.37   0.370% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+  65  18.14 +/- 2.17   0.161% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+  33  18.97 +/- 2.78   0.137% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG3   LYS+  33   7.43 +/- 0.39   2.104% *  0.0287% (0.52   1.0  1.00   0.02   4.66) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.63 +/- 1.21   0.947% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  17.75 +/- 1.85   0.202% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.40 +/- 3.56   0.079% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+ 102  16.67 +/- 5.50   0.412% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  19.42 +/- 7.19   0.329% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.95 +/- 2.86   0.185% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.86 +/- 4.59   0.466% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  15.67 +/- 4.74   0.356% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  23.25 +/- 3.89   0.089% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  23.94 +/- 6.74   0.075% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.28 +/- 3.77   0.141% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.30 +/- 2.02   0.083% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.60 +/- 2.94   0.133% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  25.03 +/- 3.33   0.075% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.55 +/- 2.91   0.138% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.76 +/- 3.14   0.064% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 92.2:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.30 +/- 0.08  92.482% * 99.1144% (1.00  10.0 10.00   4.47  92.21) =  99.997%  kept
          QG    GLU-  14 - HG3   GLU-  29  13.04 +/- 4.64   4.489% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   90 - HG3   GLU-  29  25.16 +/- 4.40   0.090% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  14.57 +/- 4.15   1.343% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  24.59 +/- 4.75   0.290% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.11 +/- 3.23   0.388% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  15.82 +/- 2.16   0.341% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  22.79 +/- 3.02   0.158% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  19.62 +/- 4.58   0.202% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.68 +/- 2.59   0.059% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  19.74 +/- 1.62   0.156% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 92.2:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.608% * 99.6674% (1.00  10.0 10.00   4.18  92.21) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  23.34 +/- 8.70   0.096% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  24.27 +/- 3.25   0.059% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  22.26 +/- 3.08   0.056% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  27.03 +/- 4.69   0.047% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  19.28 +/- 2.59   0.087% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.19 +/- 2.37   0.048% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.3:
    * O T QG    GLN   17 - HB3   GLN   17   2.37 +/- 0.13  96.138% * 98.5118% (0.76  10.0 10.00   4.31  85.30) =  99.980%  kept
        T HB    VAL   70 - HB3   GLN   17  12.70 +/- 5.47   1.609% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.018%
          HB2   GLU-  25 - HB3   GLN   17  17.16 +/- 4.60   1.377% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLN   17  20.00 +/- 3.62   0.207% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  19.30 +/- 6.32   0.321% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  21.08 +/- 3.50   0.191% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  22.38 +/- 3.67   0.157% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 85.2:
    * O T HA    GLN   17 - HB3   GLN   17   2.72 +/- 0.21  78.914% * 98.6708% (1.00  10.0 10.00   4.00  85.30) =  99.836%  kept
          HA    GLU-  15 - HB3   GLN   17   5.46 +/- 0.65  13.228% *  0.9281% (0.57   1.0  1.00   0.33   0.02) =   0.157%  kept
          HA    SER   13 - HB3   GLN   17   8.77 +/- 1.82   5.434% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   37 - HB3   GLN   17  17.32 +/- 5.30   0.834% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  16.67 +/- 3.84   0.461% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  21.17 +/- 4.80   0.234% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  17.98 +/- 4.15   0.384% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.25 +/- 3.50   0.511% *  0.0370% (0.38   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 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 85.0:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  83.192% * 89.4199% (1.00  10.0 10.00   4.16  85.30) =  99.635%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.31 +/- 0.75   2.085% *  9.1200% (1.00   1.0 10.00   0.20   0.02) =   0.255%  kept
        T HB3   PRO   68 - HB3   GLN   17  12.73 +/- 7.25  11.085% *  0.7160% (0.80   1.0 10.00   0.02   0.02) =   0.106%  kept
        T HG3   GLN   30 - HB3   GLN   17  12.48 +/- 3.40   0.427% *  0.3676% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HB3   GLN   17  13.54 +/- 6.20   1.356% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HB3   GLN   17   7.92 +/- 0.81   1.035% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HB3   GLN   17  17.78 +/- 4.34   0.274% *  0.0846% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.78 +/- 4.51   0.087% *  0.0578% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  13.20 +/- 3.04   0.283% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  27.79 +/- 4.86   0.033% *  0.0886% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  20.44 +/- 4.00   0.088% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  21.72 +/- 3.44   0.054% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2202 (1.92, 1.92, 30.50 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  14 - HB3   GLU-  14  (1.00)  kept
          HG3   MET   11 - HG3   MET   11  (0.34)  kept
 
    Peak 2204 (1.92, 4.31, 56.62 ppm):
    12 chemical-shift based assignments, quality = 0.863, support = 3.28, residual support = 45.9:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.83 +/- 0.19  52.776% * 72.0932% (1.00  10.0 10.00   3.08  45.47) =  78.280%  kept
      O T HG3   MET   11 - HA    MET   11   3.26 +/- 0.63  39.294% * 26.7625% (0.37  10.0 10.00   4.00  47.69) =  21.636%  kept
        T HG3   MET   11 - HA    GLU-  14  10.00 +/- 2.59   5.228% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.073%
        T HB3   GLU-  14 - HA    MET   11   9.61 +/- 1.49   1.823% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.011%
          HB2   LEU   40 - HA    GLU-  14  17.83 +/- 3.89   0.326% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.46 +/- 2.97   0.100% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  24.04 +/- 4.44   0.117% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.69 +/- 3.95   0.152% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.34 +/- 2.92   0.052% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.61 +/- 3.49   0.047% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.85 +/- 5.67   0.059% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.78 +/- 3.03   0.026% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 62.9:
    * O T HB2   MET   92 - HA    MET   92   2.73 +/- 0.30  89.627% * 99.5277% (1.00  10.0 10.00   3.87  62.93) =  99.996%  kept
          HB    ILE   56 - HA    MET   92  11.06 +/- 3.25   2.362% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HA    MET   92   7.52 +/- 0.63   5.052% *  0.0197% (0.20   1.0  1.00   0.02   0.22) =   0.001%
          HB3   PRO   58 - HA    MET   92  17.08 +/- 2.90   0.453% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.93 +/- 0.97   0.949% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  12.64 +/- 1.26   1.026% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  22.48 +/- 2.11   0.188% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  29.12 +/- 1.39   0.081% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.91 +/- 1.88   0.135% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  29.70 +/- 3.00   0.084% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  36.42 +/- 3.21   0.043% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.989, support = 4.25, residual support = 60.2:
    * O T HB3   MET   92 - HA    MET   92   2.75 +/- 0.17  73.943% * 83.8432% (1.00  10.0 10.00   4.22  62.93) =  95.525%  kept
          HG3   PRO   93 - HA    MET   92   4.40 +/- 0.17  18.666% * 15.5387% (0.76   1.0  1.00   4.85   1.94) =   4.469%  kept
          HD2   LYS+ 111 - HA    MET   92  12.91 +/- 3.53   1.896% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HA    MET   92  22.72 +/- 4.05   0.915% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92  10.16 +/- 2.83   2.957% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    MET   92  13.78 +/- 1.59   0.690% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    MET   92  16.89 +/- 3.02   0.544% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    MET   92  27.39 +/- 1.55   0.077% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.15 +/- 1.17   0.146% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.65 +/- 1.70   0.166% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 62.9:
    * O T HG2   MET   92 - HA    MET   92   3.22 +/- 0.39  65.559% * 99.5593% (1.00  10.0 10.00   2.49  62.93) =  99.964%  kept
          HG2   PRO   52 - HA    MET   92   6.96 +/- 3.96  31.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.031%
          QG    GLU- 114 - HA    MET   92  12.11 +/- 2.42   2.182% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    MET   92  13.99 +/- 1.86   0.972% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HA    MET   92  31.91 +/- 1.43   0.075% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  26.77 +/- 2.90   0.134% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  32.42 +/- 2.95   0.077% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.9:
    * O T HG3   MET   92 - HA    MET   92   3.08 +/- 0.90  80.047% * 99.3565% (1.00  10.0 10.00   3.97  62.93) =  99.983%  kept
        T HB2   ASP-  44 - HA    MET   92  11.50 +/- 0.98   2.766% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.007%
          HG12  ILE  119 - HA    MET   92  16.18 +/- 2.79   4.680% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - HA    MET   92   7.61 +/- 0.75   7.988% *  0.0339% (0.34   1.0  1.00   0.02   0.22) =   0.003%
          HB3   ASP-  76 - HA    MET   92  12.86 +/- 2.00   2.142% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HA    MET   92  17.21 +/- 1.13   0.843% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    MET   92  26.55 +/- 2.24   0.202% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  18.18 +/- 1.22   0.649% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.34 +/- 1.53   0.196% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  26.06 +/- 2.93   0.229% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  26.38 +/- 3.51   0.258% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.922, support = 1.88, residual support = 5.86:
          HB    VAL  108 - QB    LYS+ 106   4.31 +/- 0.21  76.527% * 80.3469% (0.92  1.00   1.89   5.90) =  99.219%  kept
          HB    ILE  119 - QB    LYS+ 106  12.96 +/- 2.91   3.854% *  6.4543% (1.00  1.00   0.14   0.02) =   0.401%  kept
        T HB2   GLN   30 - QB    LYS+ 106  16.14 +/- 1.43   1.641% *  9.1966% (1.00 10.00   0.02   0.02) =   0.243%  kept
          HB2   PRO   93 - QB    LYS+ 106  11.44 +/- 1.07   4.802% *  0.5207% (0.57  1.00   0.02   0.02) =   0.040%
          HB3   GLU- 100 - QB    LYS+ 106  14.51 +/- 1.18   2.265% *  0.9115% (0.99  1.00   0.02   0.02) =   0.033%
          HG3   GLN   30 - QB    LYS+ 106  17.35 +/- 1.98   1.414% *  0.7977% (0.87  1.00   0.02   0.02) =   0.018%
          HB2   LYS+ 111 - QB    LYS+ 106  11.64 +/- 1.35   4.529% *  0.2047% (0.22  1.00   0.02   0.02) =   0.015%
          HB2   ARG+  54 - QB    LYS+ 106  18.66 +/- 1.93   1.129% *  0.7977% (0.87  1.00   0.02   0.02) =   0.015%
          HB3   PRO   68 - QB    LYS+ 106  19.74 +/- 2.79   1.005% *  0.4476% (0.49  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - QB    LYS+ 106  20.72 +/- 3.66   2.032% *  0.1611% (0.18  1.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - QB    LYS+ 106  21.86 +/- 3.31   0.803% *  0.1611% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.83 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   2.20 +/- 0.03  95.847% * 99.8873% (0.76  10.0   4.64  26.36) =  99.997%  kept
          HN    HIS   22 - HA    VAL   75  11.00 +/- 5.66   3.938% *  0.0636% (0.49   1.0   0.02   0.02) =   0.003%
          HN    VAL  108 - HA    VAL   75  17.07 +/- 1.22   0.215% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.22, residual support = 82.4:
      O   HN    VAL   75 - HA    VAL   75   2.90 +/- 0.04  93.544% * 93.2829% (0.90  10.0   5.24  82.79) =  99.506%  kept
          HN    ASP-  78 - HA    VAL   75   7.11 +/- 0.23   6.456% *  6.7171% (0.95   1.0   1.37   0.34) =   0.494%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.458, support = 0.736, residual support = 17.7:
          HA    PHE   45 - HB    VAL   75   4.42 +/- 1.77  74.925% * 89.9031% (0.45   0.75  18.05) =  98.122%  kept
          HA    VAL   41 - HB    VAL   75   9.59 +/- 1.31  22.959% *  5.1606% (0.97   0.02   0.02) =   1.726%  kept
          HA    HIS  122 - HB    VAL   75  17.85 +/- 2.64   2.115% *  4.9363% (0.92   0.02   0.02) =   0.152%  kept
    Distance limit 3.75 A violated in 3 structures by 0.70 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.14, residual support = 18.0:
          QD    PHE   45 - HB    VAL   75   4.49 +/- 1.48  91.198% * 98.5829% (0.87   2.14  18.05) =  99.931%  kept
          HD2   HIS  122 - HB    VAL   75  15.02 +/- 2.21   4.745% *  0.7298% (0.69   0.02   0.02) =   0.038%
          HE22  GLN  116 - HB    VAL   75  19.29 +/- 2.51   4.057% *  0.6873% (0.65   0.02   0.02) =   0.031%
    Distance limit 3.83 A violated in 4 structures by 0.76 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.793, support = 0.02, residual support = 1.28:
        T HZ    PHE   72 - HB    VAL   75   6.49 +/- 0.63  65.886% * 97.5882% (0.80 10.00   0.02   1.28) =  98.736%  kept
          HZ2   TRP   27 - HB    VAL   75   9.66 +/- 3.68  34.114% *  2.4118% (0.20  1.00   0.02   1.35) =   1.264%  kept
    Distance limit 4.19 A violated in 18 structures by 2.01 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.44, residual support = 82.7:
      O   HN    VAL   75 - HB    VAL   75   2.50 +/- 0.53  95.957% * 97.4284% (0.99  10.0   4.44  82.79) =  99.889%  kept
          HN    ASP-  78 - HB    VAL   75   8.19 +/- 0.46   4.043% *  2.5716% (0.65   1.0   0.81   0.34) =   0.111%  kept
    Distance limit 3.33 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 = 0.35, support = 2.41, residual support = 17.5:
        T QE    PHE   45 - QG1   VAL   75   3.23 +/- 0.82  71.594% * 85.7503% (0.34 10.00   2.46  18.05) =  96.487%  kept
          QD    PHE   72 - QG1   VAL   75   6.00 +/- 0.90  20.552% *  8.7904% (0.53  1.00   1.33   1.28) =   2.839%  kept
          HZ    PHE   72 - QG1   VAL   75   7.09 +/- 0.42   7.854% *  5.4593% (0.90  1.00   0.48   1.28) =   0.674%  kept
    Distance limit 3.36 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.12, residual support = 18.0:
          QD    PHE   45 - QG1   VAL   75   2.58 +/- 0.94  96.539% * 99.5840% (1.00   3.12  18.05) =  99.993%  kept
          HD2   HIS  122 - QG1   VAL   75  13.46 +/- 2.04   1.710% *  0.2184% (0.34   0.02   0.02) =   0.004%
          HE22  GLN  116 - QG1   VAL   75  16.57 +/- 2.26   1.751% *  0.1976% (0.31   0.02   0.02) =   0.004%
    Distance limit 3.44 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.902, support = 4.91, residual support = 73.6:
          HN    VAL   75 - QG1   VAL   75   3.37 +/- 0.36  78.542% * 68.6530% (0.90   5.24  82.79) =  88.909%  kept
          HN    ASP-  78 - QG1   VAL   75   5.46 +/- 0.40  21.458% * 31.3470% (0.95   2.27   0.34) =  11.091%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 26.3:
          HN    ASP-  76 - QG1   VAL   75   3.10 +/- 0.45  87.265% * 99.1032% (0.41   4.97  26.36) =  99.962%  kept
          HN    HIS   22 - QG1   VAL   75  11.23 +/- 4.20  11.069% *  0.1921% (0.20   0.02   0.02) =   0.025%
          HN    VAL  108 - QG1   VAL   75  12.07 +/- 1.23   1.666% *  0.7047% (0.73   0.02   0.02) =   0.014%
    Distance limit 3.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.761, support = 0.747, residual support = 2.14:
          HB2   CYS   21 - QG2   VAL   75   7.72 +/- 4.66  57.300% * 98.7151% (0.76   0.75   2.15) =  99.526%  kept
          QE    LYS+  81 - QG2   VAL   75  10.79 +/- 1.52  27.516% *  0.6032% (0.18   0.02   0.02) =   0.292%  kept
          QE    LYS+ 111 - QG2   VAL   75  15.35 +/- 2.07  15.185% *  0.6817% (0.20   0.02   0.02) =   0.182%  kept
    Distance limit 3.74 A violated in 12 structures by 2.98 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.639, support = 0.75, residual support = 11.4:
          HZ    PHE   45 - QG2   VAL   75   5.12 +/- 1.66  47.229% * 63.0260% (0.76   0.75  18.05) =  60.405%  kept
          HZ3   TRP   27 - QG2   VAL   75   5.83 +/- 4.07  52.771% * 36.9740% (0.45   0.75   1.35) =  39.595%  kept
    Distance limit 3.44 A violated in 4 structures by 0.86 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.955, support = 1.83, residual support = 13.9:
          QE    PHE   45 - QG2   VAL   75   3.93 +/- 1.35  50.607% * 64.7822% (0.97   2.14  18.05) =  75.046%  kept
          QD    PHE   72 - QG2   VAL   75   4.71 +/- 1.01  36.783% * 26.7270% (1.00   0.86   1.28) =  22.504%  kept
          HZ    PHE   72 - QG2   VAL   75   6.53 +/- 0.49  12.610% *  8.4908% (0.25   1.09   1.28) =   2.451%  kept
    Distance limit 3.92 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.746, support = 0.659, residual support = 1.17:
          HE3   TRP   27 - QG2   VAL   75   6.38 +/- 4.15  35.305% * 68.7020% (0.80   0.67   1.35) =  86.445%  kept
          HD2   HIS   22 - QG2   VAL   75  10.84 +/- 4.79  12.452% * 21.6072% (0.20   0.85   0.02) =   9.589%  kept
          QE    PHE   95 - QG2   VAL   75   8.59 +/- 1.45  18.760% *  2.5208% (0.98   0.02   0.02) =   1.685%  kept
          HN    THR   23 - QG2   VAL   75   9.24 +/- 4.57  12.321% *  2.4819% (0.97   0.02   0.02) =   1.090%  kept
          HN    LEU   67 - QG2   VAL   75  10.19 +/- 0.82  11.835% *  1.6636% (0.65   0.02   0.02) =   0.702%  kept
          QD    PHE   55 - QG2   VAL   75  13.88 +/- 1.81   4.393% *  2.2308% (0.87   0.02   0.02) =   0.349%  kept
          HD1   TRP   49 - QG2   VAL   75  12.80 +/- 1.21   4.934% *  0.7937% (0.31   0.02   0.02) =   0.140%  kept
    Distance limit 3.63 A violated in 8 structures by 1.31 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 4.83, residual support = 79.7:
          HN    VAL   75 - QG2   VAL   75   3.18 +/- 0.45  86.310% * 80.3113% (0.90   4.97  82.79) =  96.257%  kept
          HN    ASP-  78 - QG2   VAL   75   7.17 +/- 0.77  13.690% * 19.6887% (0.95   1.16   0.34) =   3.743%  kept
    Distance limit 3.65 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   5.24 +/- 1.12  92.411% * 48.3894% (0.61   0.02   0.02) =  91.947%  kept
          HN    VAL  108 - QG2   VAL   75  12.99 +/- 1.49   7.589% * 51.6106% (0.65   0.02   0.02) =   8.053%  kept
    Distance limit 4.08 A violated in 6 structures by 1.15 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.71, residual support = 35.7:
      O   HN    ASP-  76 - HB3   ASP-  76   3.10 +/- 0.45  99.517% * 99.4520% (0.15  10.0   3.71  35.72) =  99.997%  kept
          HN    VAL  108 - HB3   ASP-  76  19.67 +/- 1.56   0.483% *  0.5480% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.43 A violated in 0 structures by 0.05 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   2.78 +/- 0.48  85.734% * 99.6604% (0.41  10.0   3.66  35.72) =  99.996%  kept
          HN    HIS   22 - HB2   ASP-  76  12.71 +/- 6.99   2.708% *  0.0480% (0.20   1.0   0.02   0.02) =   0.002%
          HN    VAL  108 - QE    LYS+  66  19.38 +/- 4.39   1.677% *  0.0366% (0.15   1.0   0.02   0.02) =   0.001%
          HN    HIS   22 - QE    LYS+  66  17.94 +/- 4.64   5.608% *  0.0100% (0.04   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HB2   ASP-  76  19.66 +/- 1.75   0.315% *  0.1760% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASP-  76 - QE    LYS+  66  16.29 +/- 2.85   0.932% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  11.28 +/- 2.23   2.285% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  22.30 +/- 2.84   0.287% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.95 +/- 3.12   0.453% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.377, support = 0.591, residual support = 0.585:
          HN    LEU   80 - HA    THR   77   4.73 +/- 1.50  86.158% * 87.9422% (0.38   0.60   0.59) =  99.184%  kept
          HN    CYS   53 - HA    THR   77  13.35 +/- 2.48   7.227% *  4.7754% (0.61   0.02   0.02) =   0.452%  kept
          HN    THR   26 - HA    THR   77  17.15 +/- 5.67   4.606% *  5.0933% (0.65   0.02   0.02) =   0.307%  kept
          HN    ALA   34 - HA    THR   77  20.31 +/- 3.08   2.009% *  2.1891% (0.28   0.02   0.02) =   0.058%
    Distance limit 3.69 A violated in 6 structures by 1.15 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.65, support = 4.62, residual support = 27.4:
      O   HN    ASP-  78 - HA    THR   77   3.52 +/- 0.06  90.486% * 91.7983% (0.65  10.0   4.65  27.66) =  99.069%  kept
          HN    VAL   75 - HA    THR   77   7.70 +/- 0.65   9.514% *  8.2017% (0.99   1.0   1.17   0.75) =   0.931%  kept
    Distance limit 3.95 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 +/- 0.05 100.000% *100.0000% (0.53  10.0   4.03  37.50) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.16, residual support = 11.0:
        T QD    PHE   45 - QG2   THR   77   2.82 +/- 0.56 100.000% *100.0000% (0.80 10.00   3.16  11.00) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.66, residual support = 11.5:
          HN    THR   46 - QG2   THR   77   2.76 +/- 0.74  59.226% * 98.1993% (0.87   3.67  11.56) =  99.697%  kept
          HN    MET   92 - QG2   THR   77   4.84 +/- 2.51  37.127% *  0.4237% (0.69   0.02   0.02) =   0.270%  kept
          HN    LYS+  74 - QG2   THR   77   9.12 +/- 1.37   2.737% *  0.6046% (0.98   0.02   0.02) =   0.028%
          HN    LYS+ 112 - QG2   THR   77  12.95 +/- 1.69   0.824% *  0.3245% (0.53   0.02   0.02) =   0.005%
          HN    MET   11 - QG2   THR   77  26.69 +/- 3.20   0.086% *  0.4479% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.00 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   2.24 +/- 0.51 100.000% *100.0000% (0.87   4.03  37.50) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.617, support = 1.4, residual support = 4.64:
          HA    ALA   20 - HB2   LYS+  74   7.45 +/- 6.97  65.975% * 69.9202% (0.61   1.56   5.48) =  81.842%  kept
          HA    LEU   71 - HB2   LYS+  74   9.02 +/- 2.06  34.025% * 30.0798% (0.64   0.64   0.84) =  18.158%  kept
    Distance limit 3.84 A violated in 3 structures by 0.72 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.773, support = 2.05, residual support = 4.34:
          HA    ALA   20 - HB3   LYS+  74   7.34 +/- 6.94  64.702% * 62.6895% (0.76   2.30   5.48) =  75.489%  kept
          HA    LEU   71 - HB3   LYS+  74   8.57 +/- 2.01  35.298% * 37.3105% (0.80   1.30   0.84) =  24.511%  kept
    Distance limit 3.77 A violated in 3 structures by 0.68 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.6:
      O   HA    LYS+  74 - HB3   LYS+  74   2.83 +/- 0.19  98.616% * 99.8966% (0.80  10.0   6.20 186.65) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  14.36 +/- 1.01   0.821% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  16.25 +/- 1.18   0.562% *  0.0278% (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 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.2:
      O T HA    PRO   93 - HB2   PRO   93   2.43 +/- 0.20  99.771% * 99.9221% (0.49  10.0 10.00   5.98 132.19) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  20.22 +/- 2.55   0.229% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.428, support = 1.58, residual support = 1.69:
          HB3   MET   92 - HB3   PRO   93   5.78 +/- 0.69  26.376% * 75.0658% (0.41  1.00   1.81   1.94) =  86.786%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.68 +/- 3.81  18.859% *  6.2134% (0.31 10.00   0.02   0.02) =   5.136%  kept
        T HB2   LEU   73 - HB3   PRO   93  14.41 +/- 4.29   9.414% * 11.3974% (0.57 10.00   0.02   0.02) =   4.703%  kept
          QG1   ILE   56 - HB3   PRO   93   5.99 +/- 2.64  37.485% *  1.8054% (0.90  1.00   0.02   0.02) =   2.967%  kept
          QD    LYS+ 106 - HB3   PRO   93  12.10 +/- 1.62   2.958% *  1.5385% (0.76  1.00   0.02   0.02) =   0.199%  kept
          HB    ILE   89 - HB3   PRO   93  10.76 +/- 1.05   3.695% *  0.7555% (0.38  1.00   0.02   0.02) =   0.122%  kept
          QD    LYS+  99 - HB3   PRO   93  18.96 +/- 1.22   0.665% *  1.6120% (0.80  1.00   0.02   0.02) =   0.047%
          HB3   LYS+  99 - HB3   PRO   93  20.18 +/- 0.99   0.548% *  1.6120% (0.80  1.00   0.02   0.02) =   0.039%
    Distance limit 3.48 A violated in 1 structures by 0.79 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.2:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  96.069% * 99.4465% (0.80  10.0   6.01 132.19) =  99.997%  kept
          HG3   PRO   52 - HB3   PRO   93   8.81 +/- 2.55   1.523% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HB3   PRO   93  10.99 +/- 2.31   0.583% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HB3   PRO   93  10.25 +/- 1.80   0.691% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93  10.59 +/- 2.27   0.617% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.81 +/- 1.91   0.363% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  26.46 +/- 3.25   0.032% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  20.08 +/- 1.97   0.071% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  33.65 +/- 3.12   0.015% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.49 +/- 1.17   0.036% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 132.2:
      O   HA    PRO   93 - HB3   PRO   93   2.60 +/- 0.20 100.000% *100.0000% (0.92  10.0   5.13 132.19) = 100.000%  kept
    Distance limit 3.64 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   6.50 +/- 1.02 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.18 A violated in 16 structures by 2.32 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.935, support = 1.96, residual support = 12.2:
          QD1   ILE   19 - HG2   GLN   30   5.39 +/- 2.08  45.613% * 67.1402% (0.95   2.13  13.73) =  89.175%  kept
          QD2   LEU  104 - HG2   GLN   30  13.00 +/- 3.38  11.924% * 17.8170% (0.84   0.64   0.02) =   6.186%  kept
          QG2   VAL   18 - HG2   GLN   30   9.22 +/- 2.01  10.785% * 13.6167% (0.90   0.46   0.02) =   4.276%  kept
          QG1   VAL   41 - HG2   GLN   30   8.17 +/- 2.61  19.136% *  0.3246% (0.49   0.02   0.02) =   0.181%  kept
          QG1   VAL   43 - HG2   GLN   30  10.45 +/- 2.96   9.936% *  0.4580% (0.69   0.02   0.02) =   0.133%  kept
          QG2   THR   46 - HG2   GLN   30  15.24 +/- 2.81   2.606% *  0.6435% (0.97   0.02   0.02) =   0.049%
    Distance limit 3.89 A violated in 5 structures by 0.83 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.605, support = 0.748, residual support = 4.84:
        T QG2   THR   26 - HG2   GLN   30   3.03 +/- 0.64  87.118% * 87.3618% (0.61 10.00   0.75   4.85) =  99.712%  kept
        T HB3   LYS+ 121 - HG2   GLN   30  20.22 +/- 4.70   2.730% *  2.7891% (0.73 10.00   0.02   0.02) =   0.100%
        T HD2   LYS+ 121 - HG2   GLN   30  21.01 +/- 4.78   2.362% *  2.9354% (0.76 10.00   0.02   0.02) =   0.091%
        T QD    LYS+  66 - HG2   GLN   30  17.33 +/- 2.74   0.930% *  3.8324% (1.00 10.00   0.02   0.02) =   0.047%
        T HD3   LYS+  74 - HG2   GLN   30  14.48 +/- 2.95   1.207% *  2.1746% (0.57 10.00   0.02   0.02) =   0.034%
          HG    LEU  104 - HG2   GLN   30  15.62 +/- 3.76   2.363% *  0.2789% (0.73  1.00   0.02   0.02) =   0.009%
          HB2   LYS+  74 - HG2   GLN   30  11.80 +/- 3.16   2.203% *  0.1310% (0.34  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HG2   GLN   30  16.93 +/- 2.66   0.829% *  0.2638% (0.69  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HG2   GLN   30  26.13 +/- 3.67   0.257% *  0.2330% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.02, residual support = 238.1:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.56 +/- 0.28  96.053% * 99.8036% (0.95  10.0 10.00   7.02 238.06) =  99.996%  kept
          QG1   VAL   42 - HB3   LYS+ 112  11.76 +/- 2.88   2.535% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   47 - HB3   LYS+ 112  12.10 +/- 1.85   1.412% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.49, residual support = 238.1:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.68 +/- 0.29  96.842% * 99.8561% (0.73  10.0 10.00   6.49 238.06) =  99.999%  kept
          HB    THR   46 - HB3   LYS+ 112  13.59 +/- 3.11   1.972% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - HB3   LYS+ 112  25.63 +/- 6.42   0.672% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB3   LYS+ 112  16.40 +/- 1.37   0.514% *  0.0617% (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 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 238.1:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.80 +/- 0.65  96.786% * 99.7523% (0.97  10.0   5.98 238.06) =  99.998%  kept
          HN    LYS+  74 - HB3   LYS+ 112  19.52 +/- 4.62   0.944% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HB3   LYS+ 112  14.61 +/- 2.51   1.116% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  13.98 +/- 2.44   1.086% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  37.78 +/- 5.22   0.068% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.74, residual support = 238.0:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.81 +/- 0.62  88.830% * 99.6310% (0.84  10.0   5.74 238.06) =  99.995%  kept
          HN    LYS+  74 - HB    VAL   42   8.80 +/- 1.86   6.064% *  0.0310% (0.26   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 112 - HB    VAL   42  16.44 +/- 2.95   1.589% *  0.0840% (0.70   1.0   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB2   LYS+ 112  19.66 +/- 4.71   2.097% *  0.0368% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB    VAL   42  15.96 +/- 1.29   0.672% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  19.34 +/- 2.43   0.494% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  25.51 +/- 2.67   0.183% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  37.76 +/- 5.47   0.070% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.825, support = 2.05, residual support = 3.85:
          HA    PHE   72 - HB    VAL   42   5.49 +/- 2.19  52.647% * 92.8161% (0.85   2.11   4.00) =  96.129%  kept
          HA    MET   96 - HB    VAL   42   7.81 +/- 0.98  29.344% *  6.4203% (0.19   0.64   0.02) =   3.706%  kept
          HA    PHE   72 - HB2   LYS+ 112  19.52 +/- 5.12  12.157% *  0.6222% (0.60   0.02   0.02) =   0.149%  kept
          HA    MET   96 - HB2   LYS+ 112  14.17 +/- 2.22   5.852% *  0.1413% (0.14   0.02   0.02) =   0.016%
    Distance limit 3.86 A violated in 11 structures by 1.48 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.06, residual support = 86.3:
      O   HN    VAL   42 - HB    VAL   42   2.79 +/- 0.38  74.517% * 85.6861% (0.80  10.0   6.16  89.37) =  96.575%  kept
          HN    LEU   73 - HB    VAL   42   6.27 +/- 1.63  16.090% * 14.0465% (0.80   1.0   3.28   0.62) =   3.418%  kept
          HN    LEU   73 - HB2   LYS+ 112  18.72 +/- 5.65   2.970% *  0.0605% (0.57   1.0   0.02   0.11) =   0.003%
          HN    LYS+ 106 - HB    VAL   42  10.86 +/- 1.84   1.782% *  0.0600% (0.56   1.0   0.02   0.02) =   0.002%
          HN    ILE   19 - HB    VAL   42  10.99 +/- 3.96   2.842% *  0.0258% (0.24   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB2   LYS+ 112  14.54 +/- 1.96   1.036% *  0.0424% (0.40   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HB2   LYS+ 112  17.89 +/- 3.11   0.407% *  0.0605% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.28 +/- 4.75   0.355% *  0.0182% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.563, support = 1.77, residual support = 3.75:
          QD    PHE   60 - HB    VAL   42   8.09 +/- 1.67  18.601% * 78.7762% (0.66   2.00   4.55) =  80.015%  kept
          QD    PHE   55 - HB2   LYS+ 112   6.24 +/- 2.90  36.295% *  6.1819% (0.12   0.86   0.85) =  12.252%  kept
          HE3   TRP   27 - HB    VAL   42   9.71 +/- 1.23  10.754% * 11.8690% (0.22   0.92   0.13) =   6.970%  kept
          QD    PHE   60 - HB2   LYS+ 112  10.66 +/- 2.25  12.894% *  0.5559% (0.47   0.02   0.02) =   0.391%  kept
          HN    LYS+  66 - HB    VAL   42  10.03 +/- 2.27  12.876% *  0.2866% (0.24   0.02   0.02) =   0.202%  kept
          HN    LYS+  81 - HB    VAL   42  19.38 +/- 2.12   1.235% *  1.0217% (0.86   0.02   0.02) =   0.069%
          QD    PHE   55 - HB    VAL   42  15.84 +/- 1.68   2.802% *  0.2040% (0.17   0.02   0.02) =   0.031%
          HN    LYS+  81 - HB2   LYS+ 112  24.02 +/- 2.78   0.748% *  0.7210% (0.61   0.02   0.02) =   0.029%
          HN    LYS+  66 - HB2   LYS+ 112  16.53 +/- 1.69   2.389% *  0.2023% (0.17   0.02   0.02) =   0.026%
          HE3   TRP   27 - HB2   LYS+ 112  21.65 +/- 4.27   1.406% *  0.1814% (0.15   0.02   0.02) =   0.014%
    Distance limit 4.06 A violated in 8 structures by 1.23 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.495, support = 0.758, residual support = 3.98:
        T QD    PHE   72 - HB    VAL   42   4.26 +/- 1.45  47.508% * 79.7606% (0.46 10.00   0.73   4.00) =  87.362%  kept
          HZ    PHE   72 - HB    VAL   42   6.04 +/- 2.66  28.972% * 18.1953% (0.78  1.00   0.98   4.00) =  12.154%  kept
        T QD    PHE   72 - HB2   LYS+ 112  15.49 +/- 3.45  12.515% *  1.5402% (0.32 10.00   0.02   0.02) =   0.444%  kept
          QE    PHE   45 - HB    VAL   42   8.67 +/- 0.52   6.706% *  0.1415% (0.30  1.00   0.02   0.02) =   0.022%
          HZ    PHE   72 - HB2   LYS+ 112  16.07 +/- 2.60   2.165% *  0.2625% (0.55  1.00   0.02   0.02) =   0.013%
          QE    PHE   45 - HB2   LYS+ 112  14.19 +/- 2.05   2.133% *  0.0999% (0.21  1.00   0.02   0.02) =   0.005%
    Distance limit 3.98 A violated in 1 structures by 0.36 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   2.71 +/- 0.20  97.656% * 99.2681% (0.14  10.0   2.86  15.43) =  99.982%  kept
          HN    LEU   40 - HA1   GLY  101  11.16 +/- 2.08   2.344% *  0.7319% (1.00   1.0   0.02   0.02) =   0.018%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.69 +/- 0.28  98.246% * 99.7871% (0.38  10.0   2.86  15.43) =  99.996%  kept
          HN    LEU   40 - HA2   GLY  101  11.44 +/- 1.99   1.754% *  0.2129% (0.80   1.0   0.02   0.02) =   0.004%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.71, residual support = 5.16:
      O   HN    SER   13 - HA    ALA   12   2.51 +/- 0.21  98.933% * 99.9813% (0.84  10.0   1.71   5.16) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.04 +/- 1.99   1.067% *  0.0187% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.78 +/- 0.14  98.979% * 99.8617% (0.85  10.0   2.38  12.35) =  99.999%  kept
          HN    ASN   35 - HA    ALA   12  18.49 +/- 4.78   0.805% *  0.0618% (0.53   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ALA   12  27.87 +/- 3.16   0.125% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  32.68 +/- 5.01   0.091% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.3, residual support = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.76 +/- 0.22  98.000% * 99.7294% (0.46  10.0   2.30  12.35) =  99.997%  kept
          HN    ASN   35 - QB    ALA   12  15.61 +/- 4.19   1.278% *  0.1891% (0.87   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - QB    ALA   12  20.84 +/- 4.12   0.458% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.56 +/- 3.24   0.264% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 12.1:
      O   HN    ALA   12 - HA    MET   11   2.39 +/- 0.15  94.823% * 99.5700% (0.65  10.0   3.50  12.07) =  99.998%  kept
          HN    ALA   12 - HA    GLU-  14   7.59 +/- 1.13   3.840% *  0.0391% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    MET   11  19.78 +/- 4.45   0.461% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  16.24 +/- 4.33   0.586% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.78 +/- 3.10   0.055% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.68 +/- 2.78   0.112% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  34.97 +/- 5.25   0.039% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.84 +/- 4.79   0.085% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.58, residual support = 12.1:
          HN    ALA   12 - HG3   MET   11   4.17 +/- 0.48  78.046% * 98.7287% (0.97   3.58  12.07) =  99.946%  kept
          HN    ALA   12 - HB3   GLU-  14   7.90 +/- 1.37  16.642% *  0.1959% (0.34   0.02   0.02) =   0.042%
          HN    ASN   35 - HG3   MET   11  20.23 +/- 5.33   1.410% *  0.3236% (0.57   0.02   0.02) =   0.006%
          HN    ASN   35 - HB3   GLU-  14  15.51 +/- 4.75   2.425% *  0.1149% (0.20   0.02   0.02) =   0.004%
          HN    PHE   97 - HG3   MET   11  30.32 +/- 3.25   0.239% *  0.2350% (0.41   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   GLU-  14  23.44 +/- 2.85   0.565% *  0.0834% (0.15   0.02   0.02) =   0.001%
          HN    LEU  115 - HB3   GLU-  14  27.95 +/- 5.13   0.505% *  0.0834% (0.15   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  35.53 +/- 5.16   0.168% *  0.2350% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.63:
      O   HN    GLU-  14 - HA    SER   13   2.49 +/- 0.23  89.629% * 99.1146% (0.92  10.0   2.10   6.63) =  99.994%  kept
          HN    GLN   30 - HA    SER   13  15.58 +/- 4.48   1.610% *  0.0860% (0.80   1.0   0.02   0.02) =   0.002%
          HN    GLU-  29 - HA    SER   13  16.51 +/- 5.36   3.411% *  0.0331% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    SER   37  15.52 +/- 5.58   0.927% *  0.0530% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   37  12.81 +/- 1.20   0.748% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  12.84 +/- 1.52   0.819% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  22.49 +/- 4.42   0.317% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.22 +/- 1.23   0.536% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.46 +/- 2.98   0.347% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  19.58 +/- 5.47   0.287% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  20.46 +/- 2.19   0.193% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.67 +/- 2.96   0.120% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.27 +/- 0.81   0.183% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.74 +/- 1.17   0.485% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  26.18 +/- 3.05   0.101% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  33.03 +/- 4.56   0.052% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  21.65 +/- 2.32   0.159% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  29.32 +/- 4.62   0.076% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.639, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.14 +/- 1.73  18.270% * 21.8157% (0.99   0.02   0.02) =  34.604%  kept
          HN    ILE   19 - HA    SER   37  15.22 +/- 4.41  13.289% * 11.6574% (0.53   0.02   0.02) =  13.450%  kept
          HN    LEU   73 - HA    THR   46  12.92 +/- 1.03  14.528% *  7.5418% (0.34   0.02   0.02) =   9.513%  kept
          HN    ILE   19 - HA    THR   46  17.83 +/- 4.68   7.971% * 13.2032% (0.60   0.02   0.02) =   9.137%  kept
          HN    LEU   73 - HA    SER   13  17.82 +/- 3.96   6.901% * 12.4613% (0.57   0.02   0.02) =   7.466%  kept
          HN    VAL   42 - HA    SER   37  13.43 +/- 0.93  12.426% *  6.6588% (0.30   0.02   0.02) =   7.184%  kept
          HN    VAL   42 - HA    THR   46  13.95 +/- 0.61  10.800% *  7.5418% (0.34   0.02   0.02) =   7.072%  kept
          HN    LEU   73 - HA    SER   37  14.99 +/- 2.44  10.990% *  6.6588% (0.30   0.02   0.02) =   6.354%  kept
          HN    VAL   42 - HA    SER   13  19.28 +/- 2.81   4.826% * 12.4613% (0.57   0.02   0.02) =   5.221%  kept
    Distance limit 3.46 A violated in 20 structures by 5.79 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB3   SER   37   2.97 +/- 0.56  94.065% * 99.5355% (0.83  10.0   3.80  29.75) =  99.997%  kept
          HN    SER   37 - QB    SER   13  14.73 +/- 4.29   1.415% *  0.0762% (0.63   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - QB    SER   13  13.52 +/- 2.80   2.475% *  0.0288% (0.24   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB3   SER   37  15.65 +/- 2.85   1.140% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  21.96 +/- 3.10   0.295% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.94 +/- 5.23   0.353% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  28.82 +/- 3.76   0.135% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  30.36 +/- 3.33   0.123% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.613, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  22.37 +/- 3.38  24.950% * 22.8936% (0.69   0.02   0.02) =  39.888%  kept
          HA    TRP   87 - HB3   GLU-  14  32.49 +/- 4.79   9.878% * 33.2545% (1.00   0.02   0.02) =  22.938%  kept
          HA    LEU  104 - HB3   GLU-  14  24.29 +/- 3.43  20.406% * 12.5086% (0.38   0.02   0.02) =  17.825%  kept
          HA    PHE   59 - HG3   MET   11  29.67 +/- 4.55  11.472% *  8.1279% (0.24   0.02   0.02) =   6.511%  kept
          HA    TRP   87 - HG3   MET   11  38.64 +/- 4.17   5.695% * 11.8063% (0.35   0.02   0.02) =   4.695%  kept
          HA    ASP- 113 - HB3   GLU-  14  30.24 +/- 5.82  11.408% *  5.1424% (0.15   0.02   0.02) =   4.097%  kept
          HA    LEU  104 - HG3   MET   11  30.62 +/- 5.17  10.848% *  4.4409% (0.13   0.02   0.02) =   3.364%  kept
          HA    ASP- 113 - HG3   MET   11  37.80 +/- 5.93   5.342% *  1.8257% (0.05   0.02   0.02) =   0.681%  kept
    Distance limit 3.66 A violated in 20 structures by 15.19 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   3.30 +/- 0.30  84.420% * 99.5831% (0.92  10.0   3.88  45.47) =  99.992%  kept
          HN    GLU-  14 - HG3   MET   11   9.35 +/- 1.92   9.364% *  0.0354% (0.33   1.0   0.02   0.02) =   0.004%
          HE1   HIS  122 - HB3   GLU-  14  20.99 +/- 4.20   1.315% *  0.1069% (0.99   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HB3   GLU-  14  13.61 +/- 4.12   2.773% *  0.0368% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  14  21.91 +/- 2.95   0.363% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  18.65 +/- 4.37   1.098% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  27.96 +/- 5.28   0.276% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  27.81 +/- 3.98   0.176% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  30.66 +/- 5.00   0.136% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  36.31 +/- 5.16   0.080% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.88, residual support = 45.5:
      O   HN    GLU-  14 - HB2   GLU-  14   3.18 +/- 0.65  88.511% * 99.3938% (0.49  10.0   3.88  45.47) =  99.993%  kept
          HN    GLU-  14 - HG2   MET   11   9.10 +/- 1.28   6.104% *  0.0372% (0.18   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HB2   GLU-  14  15.46 +/- 4.83   1.919% *  0.0839% (0.41   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLU-  14  20.83 +/- 4.11   0.590% *  0.1321% (0.65   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  14  21.82 +/- 2.83   0.438% *  0.1483% (0.73   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ARG+  54  18.32 +/- 3.91   0.974% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  20.15 +/- 5.13   0.590% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  27.65 +/- 3.88   0.196% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.83 +/- 4.70   0.177% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  26.12 +/- 3.56   0.207% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  29.46 +/- 5.55   0.163% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  29.65 +/- 4.31   0.131% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.46:
      O   HN    GLY   16 - HA    GLU-  15   2.44 +/- 0.21  97.239% * 99.5949% (0.97  10.0   2.05   5.46) =  99.998%  kept
          HN    GLY   16 - HA    LEU   40  13.81 +/- 4.40   1.112% *  0.0805% (0.78   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    GLU-  15  24.92 +/- 5.22   0.294% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  17.83 +/- 2.13   0.291% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  15.00 +/- 3.60   0.606% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  23.18 +/- 3.31   0.144% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  27.93 +/- 5.55   0.086% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  24.04 +/- 2.64   0.120% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  25.87 +/- 5.04   0.108% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.98, residual support = 105.6:
      O   HN    ASN   28 - HA    ASN   28   2.73 +/- 0.05  99.419% * 99.8927% (0.84  10.0   5.98 105.59) =  99.999%  kept
          HN    ASN   69 - HA    ASN   28  17.71 +/- 3.31   0.581% *  0.1073% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.374, support = 2.55, residual support = 19.4:
        T HB2   LEU   31 - HA    ASN   28   3.70 +/- 0.35  66.130% * 92.7595% (0.38 10.00   2.55  19.46) =  99.746%  kept
          HB3   LEU   73 - HA    ASN   28  10.93 +/- 3.98   5.501% *  0.9312% (0.38  1.00   0.20   0.89) =   0.083%
        T QB    ALA   84 - HA    ASN   28  16.49 +/- 5.58   1.559% *  2.4660% (1.00 10.00   0.02   0.02) =   0.063%
        T QB    ALA  124 - HA    ASN   28  21.32 +/- 4.71   1.575% *  2.2165% (0.90 10.00   0.02   0.02) =   0.057%
          HG    LEU   98 - HA    ASN   28  12.50 +/- 3.78   3.751% *  0.2385% (0.97  1.00   0.02   0.02) =   0.015%
          HG3   LYS+ 102 - HA    ASN   28  14.54 +/- 5.34   5.157% *  0.1016% (0.41  1.00   0.02   0.02) =   0.009%
          HB3   LEU   80 - HA    ASN   28  16.02 +/- 8.82   3.664% *  0.1300% (0.53  1.00   0.02   1.27) =   0.008%
          HG3   LYS+  33 - HA    ASN   28   8.66 +/- 1.10   6.087% *  0.0616% (0.25  1.00   0.02   0.02) =   0.006%
          HB3   ASP-  44 - HA    ASN   28  15.79 +/- 1.82   1.003% *  0.1889% (0.76  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HA    ASN   28  16.77 +/- 3.73   1.100% *  0.1499% (0.61  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HA    ASN   28  17.53 +/- 3.41   1.003% *  0.1599% (0.65  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    ASN   28  13.33 +/- 1.51   1.831% *  0.0763% (0.31  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    ASN   28  20.84 +/- 1.93   0.429% *  0.2472% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    ASN   28  25.44 +/- 4.08   0.402% *  0.1203% (0.49  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    ASN   28  19.17 +/- 2.77   0.585% *  0.0763% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASN   28  27.07 +/- 3.13   0.224% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.609, support = 3.99, residual support = 19.1:
          HG    LEU   31 - HA    ASN   28   3.56 +/- 1.05  79.937% * 89.4815% (0.61   4.06  19.46) =  98.123%  kept
          QD2   LEU   73 - HA    ASN   28   8.65 +/- 3.05  14.665% *  9.1505% (0.76   0.33   0.89) =   1.841%  kept
          HG3   LYS+ 121 - HA    ASN   28  20.71 +/- 5.43   2.213% *  0.5550% (0.76   0.02   0.02) =   0.017%
          QD1   ILE   56 - HA    ASN   28  18.28 +/- 3.05   1.745% *  0.7009% (0.97   0.02   0.02) =   0.017%
          QD2   LEU  123 - HA    ASN   28  20.46 +/- 3.89   1.439% *  0.1121% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.7, residual support = 5.4:
      O   HN    GLY   16 - HA2   GLY   16   2.82 +/- 0.18  98.817% * 99.8461% (0.97  10.0   2.70   5.40) =  99.999%  kept
          HN    SER  117 - HA2   GLY   16  23.70 +/- 5.94   1.075% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY   16  29.76 +/- 5.75   0.108% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.5:
      O   HN    GLN   17 - HA2   GLY   16   3.46 +/- 0.04  90.398% * 99.5709% (0.65  10.0   3.26  17.53) =  99.993%  kept
          HD21  ASN   69 - HA2   GLY   16  12.54 +/- 7.06   7.262% *  0.0690% (0.45   1.0   0.02   0.02) =   0.006%
          HN    ALA   61 - HA2   GLY   16  17.68 +/- 4.48   1.053% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA2   GLY   16  31.17 +/- 6.44   0.166% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  17.52 +/- 1.77   0.816% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  31.34 +/- 5.81   0.149% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  30.75 +/- 5.00   0.156% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.5:
      O   HN    GLN   17 - HA1   GLY   16   3.23 +/- 0.05  89.494% * 99.5709% (0.65  10.0   3.26  17.53) =  99.992%  kept
          HD21  ASN   69 - HA1   GLY   16  11.95 +/- 7.50   8.463% *  0.0690% (0.45   1.0   0.02   0.02) =   0.007%
          HN    ALA   61 - HA1   GLY   16  17.04 +/- 4.29   0.930% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA1   GLY   16  30.25 +/- 6.57   0.152% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  16.96 +/- 1.69   0.690% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  30.53 +/- 5.96   0.134% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  30.01 +/- 4.90   0.137% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.7, residual support = 5.4:
      O   HN    GLY   16 - HA1   GLY   16   2.34 +/- 0.19  98.487% * 99.6694% (0.57  10.0   2.70   5.40) =  99.999%  kept
          HN    SER  117 - HA1   GLY   16  22.68 +/- 5.56   1.238% *  0.0601% (0.34   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA1   GLY   16  29.17 +/- 6.01   0.065% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  22.39 +/- 4.59   0.156% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  31.04 +/- 5.14   0.054% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.582, support = 4.32, residual support = 85.1:
      O T HB3   GLN   17 - QG    GLN   17   2.37 +/- 0.13  66.001% * 91.7315% (0.58  10.0 10.00   4.31  85.30) =  99.569%  kept
          HB2   LEU   71 - HB    VAL   70   6.60 +/- 0.52   3.272% *  7.0495% (0.15   1.0  1.00   5.85  34.76) =   0.379%  kept
          HB2   LEU   71 - QG    GLN   17  11.54 +/- 7.35   4.501% *  0.5224% (0.75   1.0  1.00   0.09   0.02) =   0.039%
          QB    LYS+  65 - QG    GLN   17  11.02 +/- 4.97   2.230% *  0.1158% (0.74   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   GLN   17 - HB    VAL   70  12.70 +/- 5.47   1.104% *  0.1879% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HB    VAL   70   6.85 +/- 1.36  11.978% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QG    GLN   17  11.52 +/- 4.72   1.694% *  0.0493% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   70   8.01 +/- 0.90   2.074% *  0.0237% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB    VAL   70   8.64 +/- 2.31   4.619% *  0.0061% (0.04   1.0  1.00   0.02   2.63) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.74 +/- 3.25   0.152% *  0.1076% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  14.71 +/- 4.66   0.526% *  0.0299% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  21.94 +/- 4.61   0.123% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  15.77 +/- 3.07   0.275% *  0.0220% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  18.39 +/- 2.92   0.198% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  17.79 +/- 2.17   0.197% *  0.0169% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  20.41 +/- 3.72   0.141% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  12.27 +/- 2.78   0.589% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.80 +/- 2.70   0.326% *  0.0038% (0.02   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 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.487, support = 5.58, residual support = 84.3:
          HN    GLN   17 - QG    GLN   17   3.13 +/- 0.71  70.189% * 88.9200% (0.49   5.60  85.30) =  98.287%  kept
          HD21  ASN   69 - HB    VAL   70   6.41 +/- 0.67  11.313% *  9.4122% (0.07   4.18  24.71) =   1.677%  kept
          HD21  ASN   69 - QG    GLN   17  13.26 +/- 5.78   5.217% *  0.2199% (0.34   0.02   0.02) =   0.018%
          HN    ALA   61 - QG    GLN   17  14.75 +/- 4.08   1.483% *  0.2388% (0.37   0.02   0.02) =   0.006%
          HN    GLN   17 - HB    VAL   70  11.63 +/- 5.84   4.204% *  0.0650% (0.10   0.02   0.02) =   0.004%
          HN    ALA   61 - HB    VAL   70  10.35 +/- 1.67   3.424% *  0.0489% (0.08   0.02   0.02) =   0.003%
          HN    TRP   27 - QG    GLN   17  13.13 +/- 2.08   1.717% *  0.0757% (0.12   0.02   0.02) =   0.002%
          HE3   TRP   87 - QG    GLN   17  26.48 +/- 5.91   0.189% *  0.3928% (0.61   0.02   0.02) =   0.001%
          HN    TRP   87 - QG    GLN   17  25.95 +/- 5.68   0.196% *  0.2388% (0.37   0.02   0.02) =   0.001%
          HN    ALA   91 - QG    GLN   17  25.13 +/- 4.70   0.226% *  0.2017% (0.31   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    VAL   70  21.68 +/- 3.96   0.343% *  0.0805% (0.13   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  15.52 +/- 1.96   0.958% *  0.0155% (0.02   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  22.36 +/- 2.73   0.276% *  0.0489% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  22.30 +/- 2.04   0.268% *  0.0413% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.8, residual support = 50.5:
          HN    VAL   18 - QG    GLN   17   3.09 +/- 0.62  82.790% * 99.7448% (0.76   5.80  50.49) =  99.985%  kept
          HN    SER   13 - QG    GLN   17   8.85 +/- 1.78   7.195% *  0.0767% (0.17   0.02   0.02) =   0.007%
          HN    VAL   18 - HB    VAL   70  11.39 +/- 6.13   5.578% *  0.0704% (0.16   0.02   0.02) =   0.005%
          HN    GLU-  29 - QG    GLN   17  14.21 +/- 3.13   3.061% *  0.0767% (0.17   0.02   0.02) =   0.003%
          HN    GLU-  29 - HB    VAL   70  16.57 +/- 2.07   0.826% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  18.84 +/- 3.63   0.550% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.14 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   3.10 +/- 0.47  93.748% * 99.5709% (0.65  10.0   5.27  85.30) =  99.996%  kept
          HD21  ASN   69 - HB3   GLN   17  14.36 +/- 6.06   2.361% *  0.0690% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB3   GLN   17  16.05 +/- 3.93   1.725% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   GLN   17  14.61 +/- 2.83   1.626% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  29.21 +/- 5.90   0.176% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  28.74 +/- 5.63   0.179% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  27.87 +/- 4.46   0.186% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.5:
          HN    VAL   18 - HB3   GLN   17   3.25 +/- 0.68  89.233% * 99.8370% (1.00   5.47  50.49) =  99.990%  kept
          HN    SER   13 - HB3   GLN   17   9.72 +/- 1.69   6.850% *  0.0815% (0.22   0.02   0.02) =   0.006%
          HN    GLU-  29 - HB3   GLN   17  15.83 +/- 4.05   3.917% *  0.0815% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 85.2:
      O T HB3   GLN   17 - HA    GLN   17   2.72 +/- 0.21  84.014% * 98.2976% (0.76  10.0 10.00   4.00  85.30) =  99.921%  kept
          QB    LYS+  65 - HA    GLN   17  11.13 +/- 5.71   4.373% *  1.2480% (0.97   1.0  1.00   0.20   0.02) =   0.066%
          HB2   LEU   71 - HA    GLN   17  11.91 +/- 8.18   6.946% *  0.1261% (0.98   1.0  1.00   0.02   0.02) =   0.011%
          QB    LYS+  66 - HA    GLN   17  11.45 +/- 5.40   3.045% *  0.0529% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HA    GLN   17  21.36 +/- 3.64   0.211% *  0.1154% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  15.52 +/- 5.17   0.725% *  0.0321% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  23.34 +/- 5.29   0.189% *  0.0884% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  19.34 +/- 3.29   0.293% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  21.89 +/- 4.25   0.203% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.186, support = 4.14, residual support = 85.0:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  74.720% * 94.0226% (0.18  10.0 10.00   4.16  85.30) =  99.612%  kept
        T HB3   GLN   17 - HB3   PRO   68  12.73 +/- 7.25  10.003% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.335%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.31 +/- 0.75   1.874% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.028%
          HB2   LEU   71 - QB    GLU-  15  10.68 +/- 6.92   4.434% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.009%
          QB    LYS+  66 - HB3   PRO   68   6.20 +/- 1.30   3.282% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  65 - HB3   PRO   68   8.70 +/- 1.15   0.881% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - HB3   PRO   68  10.43 +/- 1.63   0.481% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB2   GLN   17  11.96 +/- 5.18   0.910% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB2   GLN   17  12.49 +/- 7.45   0.825% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QB    GLU-  15  14.20 +/- 3.71   0.252% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  14.56 +/- 2.58   0.425% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  12.46 +/- 4.84   0.472% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  13.94 +/- 3.78   0.327% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  20.62 +/- 3.22   0.061% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  21.95 +/- 3.29   0.066% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.97 +/- 3.19   0.075% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  17.37 +/- 3.32   0.145% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  14.86 +/- 3.53   0.185% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.82 +/- 3.01   0.045% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.08 +/- 4.49   0.150% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  25.20 +/- 4.03   0.036% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  24.16 +/- 4.14   0.036% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.82 +/- 2.69   0.058% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  17.52 +/- 2.87   0.097% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  20.56 +/- 3.26   0.060% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.15 +/- 2.55   0.057% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  22.43 +/- 3.29   0.041% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 42.3:
      O   HA    PRO   68 - HB3   PRO   68   2.41 +/- 0.19  84.937% * 99.9155% (0.19  10.0   2.96  42.29) =  99.993%  kept
          HA    PRO   68 - HB2   GLN   17  11.71 +/- 7.59  12.477% *  0.0398% (0.07   1.0   0.02   0.02) =   0.006%
          HA    PRO   68 - QB    GLU-  15  12.10 +/- 6.15   2.586% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.46, residual support = 50.4:
          HN    VAL   18 - HB2   GLN   17   3.00 +/- 0.68  70.849% * 97.9578% (0.24   5.47  50.49) =  99.874%  kept
          HN    VAL   18 - HB3   PRO   68  12.71 +/- 7.04   5.709% *  0.8992% (0.61   0.02   0.02) =   0.074%
          HN    VAL   18 - QB    GLU-  15   8.26 +/- 0.28   4.690% *  0.4023% (0.27   0.02   0.02) =   0.027%
          HN    SER   13 - QB    GLU-  15   6.76 +/- 0.90   9.262% *  0.0898% (0.06   0.02   0.02) =   0.012%
          HN    SER   13 - HB2   GLN   17   9.83 +/- 1.77   4.874% *  0.0800% (0.05   0.02   0.02) =   0.006%
          HN    GLU-  29 - QB    GLU-  15  14.61 +/- 3.22   1.953% *  0.0898% (0.06   0.02   0.02) =   0.003%
          HN    GLU-  29 - HB2   GLN   17  15.72 +/- 4.00   1.599% *  0.0800% (0.05   0.02   0.02) =   0.002%
          HN    SER   13 - HB3   PRO   68  18.46 +/- 5.30   0.620% *  0.2006% (0.14   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB3   PRO   68  20.87 +/- 3.35   0.443% *  0.2006% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.5:
      O   HN    VAL   18 - HA    GLN   17   2.61 +/- 0.06  99.197% * 99.9233% (0.84  10.0   5.47  50.49) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  16.40 +/- 2.99   0.706% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  28.92 +/- 6.51   0.096% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.64, support = 0.02, residual support = 0.606:
        T QB    ALA   64 - HA    GLN   17   8.89 +/- 5.36  60.022% * 38.1619% (0.69 10.00   0.02   0.84) =  71.482%  kept
        T QG1   VAL   42 - HA    GLN   17  12.42 +/- 4.16  22.599% * 27.0421% (0.49 10.00   0.02   0.02) =  19.071%  kept
        T QB    ALA   47 - HA    GLN   17  19.60 +/- 4.64   8.700% * 33.6965% (0.61 10.00   0.02   0.02) =   9.148%  kept
          HG2   LYS+ 112 - HA    GLN   17  23.51 +/- 4.99   8.679% *  1.0994% (0.20  1.00   0.02   0.02) =   0.298%  kept
    Distance limit 3.15 A violated in 17 structures by 5.17 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 76.8:
      O   HN    VAL   18 - HB    VAL   18   2.51 +/- 0.33  99.258% * 99.9233% (0.84  10.0   4.99  76.76) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  15.01 +/- 1.90   0.567% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  25.74 +/- 7.75   0.175% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.558, support = 0.879, residual support = 2.39:
        T HB2   PHE   72 - HA    VAL   18   8.66 +/- 6.04  39.295% * 84.9751% (0.49 10.00   0.91   1.38) =  84.826%  kept
          HA    ALA   64 - HA    VAL   18   8.66 +/- 5.86  40.969% * 14.1669% (0.98  1.00   0.75   8.24) =  14.744%  kept
        T HB3   ASN   35 - HA    VAL   18  16.65 +/- 2.16  19.736% *  0.8581% (0.22 10.00   0.02   0.02) =   0.430%  kept
    Distance limit 3.86 A violated in 6 structures by 3.26 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.86, residual support = 22.8:
      O   HN    ILE   19 - HA    VAL   18   2.23 +/- 0.04  91.311% * 96.0272% (0.73  10.0   4.87  22.86) =  99.727%  kept
          HN    LEU   73 - HA    VAL   18   9.11 +/- 6.54   6.197% *  3.8213% (0.92   1.0   0.63   0.68) =   0.269%  kept
          HN    VAL   42 - HA    VAL   18  10.99 +/- 5.79   2.274% *  0.1221% (0.92   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HA    VAL   18  20.11 +/- 4.38   0.217% *  0.0294% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.714, support = 0.734, residual support = 0.455:
          HG    LEU   73 - QG1   VAL   18   8.42 +/- 5.13  18.210% * 55.4799% (0.61   0.97   0.68) =  65.491%  kept
          HG    LEU   67 - QG1   VAL   18   9.32 +/- 5.31  14.211% * 31.1565% (1.00   0.33   0.02) =  28.703%  kept
          QG    LYS+  66 - QG1   VAL   18   9.79 +/- 3.97  10.402% *  4.0595% (0.41   0.10   0.02) =   2.737%  kept
          QB    ALA  120 - QG1   VAL   18  14.12 +/- 2.77  10.995% *  1.2952% (0.69   0.02   0.02) =   0.923%  kept
          HG    LEU   40 - QG1   VAL   18  11.83 +/- 3.26   4.311% *  1.8689% (0.99   0.02   0.02) =   0.522%  kept
          HB3   LEU   67 - QG1   VAL   18   8.95 +/- 5.57  13.467% *  0.4702% (0.25   0.02   0.02) =   0.410%  kept
          QB    ALA   61 - QG1   VAL   18   8.27 +/- 3.49  17.574% *  0.2909% (0.15   0.02   0.12) =   0.331%  kept
          HB3   LEU  115 - QG1   VAL   18  14.62 +/- 3.24   2.490% *  1.8689% (0.99   0.02   0.02) =   0.302%  kept
          HB3   LEU   40 - QG1   VAL   18  12.07 +/- 3.49   4.354% *  0.8454% (0.45   0.02   0.02) =   0.239%  kept
          HG    LEU  115 - QG1   VAL   18  14.71 +/- 3.45   2.814% *  1.2952% (0.69   0.02   0.02) =   0.236%  kept
          HG2   LYS+ 102 - QG1   VAL   18  18.25 +/- 3.89   1.171% *  1.3692% (0.73   0.02   0.02) =   0.104%  kept
    Distance limit 2.98 A violated in 8 structures by 2.18 A, kept.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.486, support = 3.11, residual support = 8.4:
        T QB    ALA   34 - QG1   VAL   41   3.02 +/- 1.30  49.142% * 97.8928% (0.49 10.00   3.11   8.41) =  99.900%  kept
          QG2   THR   23 - QG2   VAL   18   9.13 +/- 2.30  12.796% *  0.1284% (0.64  1.00   0.02   0.02) =   0.034%
        T QB    ALA   34 - QG2   VAL   18  10.34 +/- 1.45   1.709% *  0.7481% (0.37 10.00   0.02   0.02) =   0.027%
        T QG2   ILE   56 - QG1   VAL   41  13.40 +/- 0.97   1.398% *  0.6207% (0.31 10.00   0.02   0.02) =   0.018%
          QG2   THR   23 - QG1   VAL   41  12.11 +/- 2.56   1.632% *  0.1680% (0.84  1.00   0.02   0.02) =   0.006%
          QG2   THR   77 - QG1   VAL   41  11.88 +/- 1.24   1.656% *  0.1220% (0.61  1.00   0.02   0.02) =   0.004%
          QG2   ILE   56 - QG2   VAL   18  12.08 +/- 3.35   2.634% *  0.0474% (0.24  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  38 - QG1   VAL   41   8.06 +/- 0.90   3.478% *  0.0352% (0.18  1.00   0.02   0.02) =   0.003%
          QG2   THR   77 - QG2   VAL   18  12.34 +/- 4.21   1.002% *  0.0932% (0.46  1.00   0.02   0.02) =   0.002%
          QG2   THR   23 - QD2   LEU  104  15.54 +/- 3.88   7.598% *  0.0090% (0.04  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD2   LEU  104   7.07 +/- 1.91  10.982% *  0.0053% (0.03  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QG1   VAL   41  16.78 +/- 3.01   0.522% *  0.0501% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QG2   VAL   18  17.05 +/- 2.00   0.411% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  19.46 +/- 4.29   0.246% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  13.58 +/- 1.79   0.879% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  13.90 +/- 1.83   1.552% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104   9.71 +/- 1.71   1.938% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  16.84 +/- 3.10   0.425% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 3 structures by 0.61 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.83, support = 4.26, residual support = 75.2:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  48.849% * 91.4274% (0.84  10.0 10.00   4.28  75.81) =  98.793%  kept
          HB3   GLN   17 - QG2   VAL   18   4.64 +/- 1.11   8.033% *  3.4258% (0.15   1.0  1.00   4.14  50.49) =   0.609%  kept
          HB2   LEU   71 - QG1   VAL   41   6.05 +/- 1.80   8.041% *  2.8195% (0.69   1.0  1.00   0.75   2.81) =   0.502%  kept
          QB    LYS+  65 - QG2   VAL   18   7.96 +/- 4.11   5.238% *  0.5577% (0.55   1.0  1.00   0.18   0.02) =   0.065%
        T HB    VAL   41 - QG2   VAL   18  12.06 +/- 4.02   0.563% *  0.6987% (0.64   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   41 - QD2   LEU  104   6.84 +/- 1.85   6.418% *  0.0491% (0.04   1.0 10.00   0.02   0.02) =   0.007%
          QB    LYS+ 102 - QG1   VAL   41   7.22 +/- 1.52   1.672% *  0.0914% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  103 - QG1   VAL   41   6.89 +/- 1.18   1.904% *  0.0752% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QG2   VAL   18   9.12 +/- 3.73   1.463% *  0.0807% (0.74   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  123 - QG2   VAL   18  15.08 +/- 3.96   2.507% *  0.0344% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QG2   VAL   18  10.60 +/- 5.34   1.103% *  0.0575% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG1   VAL   41  11.87 +/- 1.64   0.441% *  0.1056% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   4.52 +/- 0.95   7.647% *  0.0049% (0.04   1.0  1.00   0.02   0.35) =   0.001%
          QB    LYS+  65 - QG1   VAL   41  11.99 +/- 1.31   0.318% *  0.0795% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG2   VAL   18  16.63 +/- 4.11   0.172% *  0.0820% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.82 +/- 0.95   2.959% *  0.0040% (0.04   1.0  1.00   0.02  37.64) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.75 +/- 1.25   0.107% *  0.1073% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  17.15 +/- 2.67   0.111% *  0.0699% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  15.29 +/- 2.61   0.169% *  0.0450% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  16.85 +/- 3.20   0.127% *  0.0575% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.50 +/- 3.62   0.278% *  0.0217% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  17.90 +/- 3.68   0.113% *  0.0344% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.66 +/- 2.94   0.838% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.30 +/- 1.08   0.058% *  0.0450% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  14.81 +/- 2.29   0.180% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.05 +/- 2.48   0.175% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.17 +/- 1.74   0.108% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  14.82 +/- 4.50   0.251% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.79 +/- 1.98   0.058% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.97 +/- 2.68   0.102% *  0.0012% (0.01   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 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.513, support = 3.14, residual support = 17.3:
          HB3   LEU   40 - QG1   VAL   41   5.10 +/- 0.28  10.213% * 81.1543% (0.46   3.78  20.98) =  82.462%  kept
          HG2   LYS+  65 - QG2   VAL   18   8.30 +/- 5.05  17.272% *  6.5023% (0.76   0.18   0.02) =  11.174%  kept
          QG2   THR   26 - QG1   VAL   41   9.10 +/- 2.46   4.858% *  5.2870% (0.64   0.18   0.02) =   2.556%  kept
          HB2   LYS+  74 - QG2   VAL   18   7.52 +/- 6.23  20.245% *  0.9185% (0.99   0.02   1.21) =   1.850%  kept
          QG2   THR   26 - QG2   VAL   18   7.73 +/- 2.44  13.884% *  0.7740% (0.84   0.02   0.02) =   1.069%  kept
          QB    ALA  120 - QG2   VAL   18  14.37 +/- 3.55   7.608% *  0.3478% (0.38   0.02   0.02) =   0.263%  kept
          QD    LYS+  66 - QG2   VAL   18   9.80 +/- 3.70   4.893% *  0.2860% (0.31   0.02   0.02) =   0.139%  kept
          HB2   LYS+  74 - QG1   VAL   41  10.66 +/- 1.77   1.526% *  0.7019% (0.76   0.02   0.02) =   0.107%  kept
          HB3   LEU   40 - QG2   VAL   18  12.67 +/- 3.10   1.322% *  0.5621% (0.61   0.02   0.02) =   0.074%
          HB3   LEU   40 - QD2   LEU  104   8.03 +/- 1.75   5.635% *  0.0864% (0.09   0.02   0.02) =   0.048%
          HD2   LYS+ 121 - QG1   VAL   41  12.86 +/- 2.98   0.940% *  0.4865% (0.52   0.02   0.02) =   0.045%
          HG    LEU  115 - QG2   VAL   18  15.06 +/- 3.58   1.025% *  0.3478% (0.38   0.02   0.02) =   0.035%
          HG2   LYS+  65 - QG1   VAL   41  13.91 +/- 1.75   0.614% *  0.5412% (0.58   0.02   0.02) =   0.033%
          HD2   LYS+ 121 - QD2   LEU  104  10.86 +/- 5.52   3.326% *  0.0978% (0.11   0.02   0.02) =   0.032%
          HD2   LYS+ 121 - QG2   VAL   18  16.30 +/- 3.59   0.446% *  0.6365% (0.69   0.02   0.02) =   0.028%
          QB    ALA  120 - QG1   VAL   41  13.02 +/- 1.53   0.671% *  0.2658% (0.29   0.02   0.02) =   0.018%
          QD    LYS+  66 - QG1   VAL   41  13.12 +/- 1.76   0.745% *  0.2186% (0.24   0.02   0.02) =   0.016%
          HG    LEU  115 - QG1   VAL   41  14.31 +/- 1.93   0.562% *  0.2658% (0.29   0.02   0.02) =   0.015%
          QG2   THR   26 - QD2   LEU  104  12.93 +/- 3.24   0.977% *  0.1189% (0.13   0.02   0.02) =   0.012%
          QB    ALA  120 - QD2   LEU  104  11.60 +/- 3.37   1.559% *  0.0534% (0.06   0.02   0.02) =   0.008%
          HB2   LYS+  74 - QD2   LEU  104  15.32 +/- 2.81   0.466% *  0.1411% (0.15   0.02   0.02) =   0.007%
          HG2   LYS+  65 - QD2   LEU  104  17.54 +/- 2.97   0.368% *  0.1088% (0.12   0.02   0.02) =   0.004%
          HG    LEU  115 - QD2   LEU  104  14.13 +/- 1.40   0.485% *  0.0534% (0.06   0.02   0.02) =   0.003%
          QD    LYS+  66 - QD2   LEU  104  16.02 +/- 2.38   0.359% *  0.0439% (0.05   0.02   0.02) =   0.002%
    Distance limit 2.95 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.814, support = 0.02, residual support = 0.0923:
        T HA    ALA   61 - QG2   VAL   18   8.84 +/- 4.05  21.973% * 46.5616% (0.87 10.00   0.02   0.12) =  69.030%  kept
        T HA    ALA   61 - QG1   VAL   41  12.06 +/- 1.92   7.586% * 35.5837% (0.66 10.00   0.02   0.02) =  18.214%  kept
          HD2   PRO   68 - QG2   VAL   18  10.25 +/- 4.56  16.750% *  5.2615% (0.98  1.00   0.02   0.02) =   5.946%  kept
          HD2   PRO   68 - QG1   VAL   41  10.97 +/- 2.43  11.282% *  4.0210% (0.75  1.00   0.02   0.02) =   3.061%  kept
          HA    VAL   24 - QG2   VAL   18  11.26 +/- 1.21   9.115% *  2.6128% (0.49  1.00   0.02   0.02) =   1.607%  kept
          HA    VAL   24 - QG1   VAL   41  11.36 +/- 2.06   7.753% *  1.9968% (0.37  1.00   0.02   0.02) =   1.044%  kept
          HD3   PRO   58 - QG2   VAL   18  13.90 +/- 3.29   4.027% *  1.0623% (0.20  1.00   0.02   0.02) =   0.289%  kept
          HA    ALA   61 - QD2   LEU  104  14.96 +/- 3.67   4.739% *  0.7155% (0.13  1.00   0.02   0.02) =   0.229%  kept
          HD2   PRO   68 - QD2   LEU  104  14.76 +/- 2.84   3.933% *  0.8085% (0.15  1.00   0.02   0.02) =   0.215%  kept
          HA    VAL   24 - QD2   LEU  104  15.14 +/- 4.02   7.110% *  0.4015% (0.07  1.00   0.02   0.02) =   0.193%  kept
          HD3   PRO   58 - QG1   VAL   41  16.83 +/- 1.44   2.504% *  0.8118% (0.15  1.00   0.02   0.02) =   0.137%  kept
          HD3   PRO   58 - QD2   LEU  104  17.61 +/- 3.48   3.227% *  0.1632% (0.03  1.00   0.02   0.02) =   0.036%
    Distance limit 2.96 A violated in 16 structures by 2.82 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.26, residual support = 75.8:
      O T HA    VAL   41 - QG1   VAL   41   2.76 +/- 0.35  78.277% * 98.8372% (0.65  10.0 10.00   4.27  75.81) =  99.965%  kept
        T HA    VAL   41 - QG2   VAL   18  11.23 +/- 4.18   2.365% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.023%
        T HA    VAL   41 - QD2   LEU  104   7.84 +/- 1.54   6.165% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.004%
          HA    PHE   45 - QG2   VAL   18  12.73 +/- 5.19   1.858% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   45 - QG1   VAL   41  12.13 +/- 0.73   1.128% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  11.91 +/- 4.27   2.232% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   18  14.28 +/- 3.57   2.300% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QD2   LEU  104  11.23 +/- 6.32   4.597% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  14.39 +/- 2.28   1.080% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.829, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QG1   VAL   18   9.01 +/- 3.69  36.585% * 36.4324% (1.00   0.02   0.02) =  50.912%  kept
          HN    LYS+  66 - QG1   VAL   18   9.28 +/- 4.61  37.222% * 25.0257% (0.69   0.02   0.02) =  35.581%  kept
          HN    LYS+  81 - QG1   VAL   18  17.30 +/- 7.15   6.324% * 30.4309% (0.84   0.02   0.02) =   7.351%  kept
          QE    PHE   59 - QG1   VAL   18  11.03 +/- 2.72  19.870% *  8.1111% (0.22   0.02   0.02) =   6.156%  kept
    Distance limit 3.15 A violated in 19 structures by 3.98 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.48, residual support = 76.8:
          HN    VAL   18 - QG1   VAL   18   3.52 +/- 0.38  95.267% * 99.8230% (0.92   5.48  76.76) =  99.991%  kept
          HN    SER   13 - QG1   VAL   18  12.46 +/- 1.92   4.733% *  0.1770% (0.45   0.02   0.02) =   0.009%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.314, support = 1.46, residual support = 1.19:
          HN    LYS+  74 - QG1   VAL   18   7.06 +/- 7.18  61.402% * 92.2977% (0.31   1.48   1.21) =  98.581%  kept
          HN    THR   46 - QG1   VAL   18  12.54 +/- 6.25  11.151% *  2.9421% (0.73   0.02   0.02) =   0.571%  kept
          HN    MET   92 - QG1   VAL   18  17.00 +/- 5.40   7.129% *  3.6337% (0.90   0.02   0.02) =   0.451%  kept
          HN    ASP- 113 - QG1   VAL   18  18.69 +/- 3.56  20.318% *  1.1265% (0.28   0.02   0.02) =   0.398%  kept
    Distance limit 3.60 A violated in 5 structures by 2.97 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.824, support = 4.81, residual support = 22.5:
          HN    ILE   19 - QG1   VAL   18   2.82 +/- 0.44  73.171% * 94.3121% (0.84   4.87  22.86) =  98.312%  kept
          HN    LEU   73 - QG1   VAL   18   7.62 +/- 5.87  21.073% *  5.5962% (0.20   1.22   0.68) =   1.680%  kept
          HN    VAL   42 - QG1   VAL   18   9.51 +/- 5.14   5.757% *  0.0917% (0.20   0.02   0.02) =   0.008%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.756, support = 0.02, residual support = 0.02:
          HN    LYS+  66 - QG2   VAL   18   8.74 +/- 4.55  21.815% * 16.9341% (0.98   0.02   0.02) =  39.372%  kept
          QD    PHE   60 - QG2   VAL   18   9.26 +/- 3.15  14.799% * 13.8337% (0.80   0.02   0.02) =  21.820%  kept
          QD    PHE   60 - QG1   VAL   41  10.85 +/- 1.23   7.821% * 10.5721% (0.61   0.02   0.02) =   8.812%  kept
          HN    LYS+  66 - QG1   VAL   41  12.21 +/- 1.36   5.717% * 12.9415% (0.75   0.02   0.02) =   7.885%  kept
          QE    PHE   59 - QG1   VAL   41  10.12 +/- 1.45   8.663% *  7.4749% (0.43   0.02   0.02) =   6.902%  kept
          QE    PHE   59 - QG2   VAL   18  11.43 +/- 2.79   5.179% *  9.7810% (0.57   0.02   0.02) =   5.399%  kept
          QE    PHE   59 - QD2   LEU  104  10.44 +/- 2.80  11.624% *  1.5030% (0.09   0.02   0.02) =   1.862%  kept
          HN    LYS+  81 - QG2   VAL   18  17.77 +/- 6.13   2.176% *  7.7455% (0.45   0.02   0.02) =   1.796%  kept
          HN    PHE   59 - QG2   VAL   18  12.68 +/- 3.09   3.745% *  3.8463% (0.22   0.02   0.02) =   1.535%  kept
          QD    PHE   60 - QD2   LEU  104  12.66 +/- 2.86   6.039% *  2.1257% (0.12   0.02   0.02) =   1.368%  kept
          HN    LYS+  81 - QG1   VAL   41  17.28 +/- 2.53   2.001% *  5.9193% (0.34   0.02   0.02) =   1.262%  kept
          HN    PHE   59 - QG1   VAL   41  14.84 +/- 1.36   2.840% *  2.9394% (0.17   0.02   0.02) =   0.890%  kept
          HN    LYS+  66 - QD2   LEU  104  15.78 +/- 2.36   2.496% *  2.6021% (0.15   0.02   0.02) =   0.692%  kept
          HN    PHE   59 - QD2   LEU  104  15.72 +/- 3.30   3.788% *  0.5910% (0.03   0.02   0.02) =   0.239%  kept
          HN    LYS+  81 - QD2   LEU  104  19.99 +/- 3.94   1.298% *  1.1902% (0.07   0.02   0.02) =   0.165%  kept
    Distance limit 3.21 A violated in 15 structures by 2.45 A, eliminated.
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.26, residual support = 76.7:
          HN    VAL   18 - QG2   VAL   18   2.35 +/- 0.61  83.162% * 98.1419% (0.61   5.26  76.76) =  99.962%  kept
          HN    GLU-  29 - QG1   VAL   41  10.11 +/- 2.15   2.278% *  0.3415% (0.55   0.02   0.02) =   0.010%
          HN    GLU-  29 - QG2   VAL   18  12.34 +/- 2.06   1.661% *  0.4468% (0.73   0.02   0.02) =   0.009%
          HN    GLN   30 - QG1   VAL   41   8.21 +/- 2.26   5.361% *  0.1173% (0.19   0.02   0.02) =   0.008%
          HN    VAL   18 - QG1   VAL   41  12.71 +/- 4.02   1.495% *  0.2852% (0.46   0.02   0.02) =   0.005%
          HN    GLN   30 - QG2   VAL   18  11.16 +/- 1.69   1.954% *  0.1534% (0.25   0.02   0.02) =   0.004%
          HN    GLU-  29 - QD2   LEU  104  14.10 +/- 3.40   0.987% *  0.0687% (0.11   0.02   0.02) =   0.001%
          HN    ASP-  86 - QG2   VAL   18  21.05 +/- 5.81   0.305% *  0.1899% (0.31   0.02   0.02) =   0.001%
          HN    ASP-  86 - QG1   VAL   41  17.43 +/- 3.59   0.342% *  0.1451% (0.24   0.02   0.02) =   0.001%
          HN    GLN   30 - QD2   LEU  104  12.60 +/- 3.32   1.564% *  0.0236% (0.04   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.00 +/- 3.04   0.342% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  18.46 +/- 4.14   0.550% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.55, residual support = 75.8:
          HN    VAL   41 - QG1   VAL   41   2.33 +/- 0.44  84.693% * 98.4956% (0.14   4.55  75.81) =  99.978%  kept
          HN    LYS+ 106 - QG1   VAL   41  10.67 +/- 1.45   1.243% *  0.6328% (0.20   0.02   0.02) =   0.009%
          HN    VAL   41 - QG2   VAL   18  12.55 +/- 3.09   1.713% *  0.3307% (0.10   0.02   0.02) =   0.007%
          HN    VAL   41 - QD2   LEU  104   6.12 +/- 1.34   8.624% *  0.0232% (0.01   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QG2   VAL   18  17.76 +/- 3.45   0.346% *  0.4836% (0.15   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QD2   LEU  104   7.47 +/- 0.49   3.381% *  0.0340% (0.01   0.02   0.39) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.356, support = 5.33, residual support = 85.3:
          HN    VAL   83 - QG1   VAL   83   2.85 +/- 0.37  93.410% * 98.5333% (0.36   5.33  85.32) =  99.968%  kept
          HN    TRP   49 - QG1   VAL   83  13.44 +/- 2.55   2.589% *  0.5090% (0.49   0.02   0.02) =   0.014%
          HN    CYS   50 - QG1   VAL   83  14.30 +/- 2.68   1.477% *  0.7798% (0.75   0.02   0.02) =   0.013%
          HE22  GLN   30 - QG1   VAL   83  14.50 +/- 5.80   2.523% *  0.1779% (0.17   0.02   0.02) =   0.005%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.658, support = 0.02, residual support = 0.02:
        T QG1   VAL  107 - QG1   VAL   83  12.51 +/- 2.37  21.792% * 62.4465% (0.75 10.00   0.02   0.02) =  73.950%  kept
        T HG    LEU   63 - QG1   VAL   83  16.42 +/- 3.09   8.214% * 27.0188% (0.33 10.00   0.02   0.02) =  12.060%  kept
          QG2   VAL   24 - QG1   VAL   83   9.72 +/- 6.67  32.022% *  3.7876% (0.46  1.00   0.02   0.02) =   6.591%  kept
          QG1   VAL   24 - QG1   VAL   83   9.81 +/- 6.28  28.736% *  3.7876% (0.46  1.00   0.02   0.02) =   5.914%  kept
          HD3   LYS+ 112 - QG1   VAL   83  18.52 +/- 2.73   9.236% *  2.9596% (0.36  1.00   0.02   0.02) =   1.485%  kept
    Distance limit 3.05 A violated in 14 structures by 3.89 A, kept.
    Not enough support, support cutoff is 0.34
    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 = 0.479, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  14.62 +/- 2.75  24.863% * 27.9530% (0.14 10.00   0.02   0.02) =  45.378%  kept
          HB3   PHE   97 - HA    ILE   19  18.22 +/- 1.95  12.118% * 19.0666% (0.92  1.00   0.02   0.02) =  15.085%  kept
          HB2   PRO   58 - HA    ILE   19  19.19 +/- 3.09  11.317% * 19.0666% (0.92  1.00   0.02   0.02) =  14.088%  kept
          HB2   GLU- 100 - HA    ILE   19  19.54 +/- 2.81  11.110% * 14.1878% (0.69  1.00   0.02   0.02) =  10.292%  kept
          HB2   GLN  116 - HA    ILE   19  23.05 +/- 4.20   7.697% * 16.5389% (0.80  1.00   0.02   0.02) =   8.312%  kept
          QG    GLU-  79 - HA    ILE   19  15.35 +/- 7.23  32.895% *  3.1869% (0.15  1.00   0.02   0.02) =   6.845%  kept
    Distance limit 3.88 A violated in 20 structures by 7.04 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.04, residual support = 25.6:
      O   HN    ALA   20 - HA    ILE   19   2.24 +/- 0.08  99.598% * 99.9363% (0.73  10.0   5.04  25.60) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  16.74 +/- 3.64   0.319% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  25.32 +/- 2.70   0.083% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.72, residual support = 171.7:
      O   HN    ILE   19 - HA    ILE   19   2.89 +/- 0.03  90.134% * 99.8764% (0.98  10.0   6.72 171.75) =  99.993%  kept
          HN    LEU   73 - HA    ILE   19   9.33 +/- 5.49   7.452% *  0.0618% (0.61   1.0   0.02   5.22) =   0.005%
          HN    VAL   42 - HA    ILE   19  11.92 +/- 4.22   2.414% *  0.0618% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.45, residual support = 5.22:
          HA    LEU   73 - HB    ILE   19   7.23 +/- 7.10 100.000% *100.0000% (0.95   2.45   5.22) = 100.000%  kept
    Distance limit 3.93 A violated in 6 structures by 3.91 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.656, support = 5.82, residual support = 166.9:
      O   HN    ILE   19 - HB    ILE   19   2.73 +/- 0.54  77.296% * 89.3725% (0.65  10.0   5.95 171.75) =  97.113%  kept
          HN    LEU   73 - HB    ILE   19   7.44 +/- 5.87  19.609% * 10.4557% (0.97   1.0   1.57   5.22) =   2.882%  kept
          HN    VAL   42 - HB    ILE   19  10.10 +/- 4.33   2.521% *  0.1333% (0.97   1.0   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HB    ILE   19  19.43 +/- 2.88   0.574% *  0.0384% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 171.5:
      O   HG13  ILE   19 - QG2   ILE   19   2.79 +/- 0.38  68.496% * 98.1968% (0.28  10.0   4.89 171.75) =  99.885%  kept
          QB    ALA   34 - QG2   ILE   19   7.00 +/- 2.43   9.025% *  0.3501% (0.99   1.0   0.02   0.02) =   0.047%
          QG2   THR   39 - QG2   ILE   19   8.20 +/- 4.04  10.518% *  0.2142% (0.61   1.0   0.02   0.02) =   0.033%
          QG2   THR   23 - QG2   ILE   19   7.25 +/- 0.93   5.796% *  0.2699% (0.76   1.0   0.02   0.02) =   0.023%
          HG3   LYS+  38 - QG2   ILE   19  13.89 +/- 2.99   0.827% *  0.3064% (0.87   1.0   0.02   0.02) =   0.004%
          QG2   ILE   56 - QG2   ILE   19  14.75 +/- 2.40   0.639% *  0.3462% (0.98   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  74 - QG2   ILE   19  10.45 +/- 4.66   3.144% *  0.0478% (0.14   1.0   0.02   7.99) =   0.002%
          QB    ALA   91 - QG2   ILE   19  16.91 +/- 2.33   0.435% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QG2   ILE   19  14.23 +/- 2.91   1.118% *  0.0545% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    12 chemical-shift based assignments, quality = 0.943, support = 5.41, residual support = 170.7:
      O   HG12  ILE   19 - QG2   ILE   19   2.91 +/- 0.30  62.304% * 96.9122% (0.95  10.0  1.00   5.44 171.75) =  99.364%  kept
          HG    LEU   73 - QG2   ILE   19   7.15 +/- 4.61  19.238% *  1.8698% (0.53   1.0  1.00   0.69   5.22) =   0.592%  kept
          HB3   LEU   67 - QG2   ILE   19  11.03 +/- 4.10   3.387% *  0.4811% (0.90   1.0  1.00   0.10   0.02) =   0.027%
          HB3   LYS+  74 - QG2   ILE   19   8.76 +/- 4.87   5.756% *  0.0385% (0.38   1.0  1.00   0.02   7.99) =   0.004%
        T QB    LEU   98 - QG2   ILE   19  11.61 +/- 2.09   1.211% *  0.1794% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   61 - QG2   ILE   19  11.15 +/- 1.44   1.407% *  0.1004% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - QG2   ILE   19  15.47 +/- 7.53   1.175% *  0.1015% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QG2   ILE   19  12.55 +/- 2.77   1.525% *  0.0744% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG2   ILE   19  17.31 +/- 4.70   2.215% *  0.0421% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - QG2   ILE   19  15.65 +/- 7.04   0.895% *  0.0580% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   ILE   19  18.38 +/- 2.45   0.450% *  0.1004% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   ILE   19  16.43 +/- 3.10   0.438% *  0.0421% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.793, support = 4.86, residual support = 169.6:
      O   HB    ILE   19 - QG2   ILE   19   2.11 +/- 0.02  63.509% * 96.2824% (0.80  10.0   4.89 171.75) =  98.655%  kept
          HG3   GLN   30 - QG2   ILE   19   4.34 +/- 3.14  27.349% *  3.0116% (0.22   1.0   2.25  13.73) =   1.329%  kept
          HB2   GLN   17 - QG2   ILE   19   6.59 +/- 1.19   4.534% *  0.1110% (0.92   1.0   0.02   0.02) =   0.008%
          QB    GLU-  15 - QG2   ILE   19   7.26 +/- 1.16   2.380% *  0.1110% (0.92   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  25 - QG2   ILE   19  10.19 +/- 1.00   0.625% *  0.1200% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG2   ILE   19  13.54 +/- 3.72   0.591% *  0.0873% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG2   ILE   19  13.25 +/- 4.24   0.673% *  0.0681% (0.57   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - QG2   ILE   19  17.95 +/- 3.49   0.253% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  22.16 +/- 3.50   0.085% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.648, support = 2.09, residual support = 13.6:
          HG2   GLN   30 - QG2   ILE   19   4.09 +/- 2.83  66.265% * 96.5258% (0.65   2.11  13.73) =  99.386%  kept
          QE    LYS+ 121 - QG2   ILE   19  15.62 +/- 4.59  16.372% *  1.4140% (1.00   0.02   0.02) =   0.360%  kept
          HB3   HIS  122 - QG2   ILE   19  14.21 +/- 3.73  10.343% *  1.2293% (0.87   0.02   0.02) =   0.198%  kept
          HB3   ASN   28 - QG2   ILE   19  10.02 +/- 1.37   5.647% *  0.5826% (0.41   0.02   0.02) =   0.051%
          HB3   ASP-  78 - QG2   ILE   19  16.98 +/- 4.62   1.373% *  0.2482% (0.18   0.02   0.02) =   0.005%
    Distance limit 3.93 A violated in 1 structures by 0.22 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 171.7:
      O   HA    ILE   19 - QG2   ILE   19   2.39 +/- 0.25  97.572% * 99.7522% (0.92  10.0   5.74 171.75) =  99.998%  kept
          HA    GLU-  25 - QG2   ILE   19   9.91 +/- 0.94   1.648% *  0.1081% (1.00   1.0   0.02   0.02) =   0.002%
          HA    CYS   53 - QG2   ILE   19  18.19 +/- 2.49   0.444% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  20.06 +/- 6.07   0.336% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.65, residual support = 25.6:
          HN    ALA   20 - QG2   ILE   19   3.00 +/- 0.73  98.378% * 97.8917% (0.31   3.65  25.60) =  99.981%  kept
          HN    PHE   45 - QG2   ILE   19  14.21 +/- 2.69   1.190% *  1.2622% (0.73   0.02   0.02) =   0.016%
          HN    ALA  110 - QG2   ILE   19  21.17 +/- 2.44   0.432% *  0.8461% (0.49   0.02   0.02) =   0.004%
    Distance limit 3.33 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.74, residual support = 171.4:
          HN    ILE   19 - QG2   ILE   19   3.39 +/- 0.48  68.602% * 98.8275% (0.65   5.75 171.75) =  99.768%  kept
          HN    LEU   73 - QG2   ILE   19   7.54 +/- 4.47  22.876% *  0.5124% (0.97   0.02   5.22) =   0.172%  kept
          HN    VAL   42 - QG2   ILE   19   9.60 +/- 3.49   7.720% *  0.5124% (0.97   0.02   0.02) =   0.058%
          HN    LYS+ 106 - QG2   ILE   19  17.29 +/- 2.72   0.802% *  0.1476% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.276, support = 0.133, residual support = 0.949:
          QD1   LEU   40 - HG    LEU   71   6.82 +/- 2.19  31.651% * 29.2445% (0.06   0.24   1.80) =  52.201%  kept
          QD2   LEU   67 - HG13  ILE   19  10.11 +/- 4.61  16.807% * 28.7454% (0.69   0.02   0.02) =  27.247%  kept
          QD1   LEU   40 - HG13  ILE   19  10.52 +/- 2.52   9.711% * 17.2041% (0.41   0.02   0.02) =   9.423%  kept
          QG2   ILE  119 - HG13  ILE   19  15.26 +/- 3.19   6.997% * 11.6352% (0.28   0.02   0.02) =   4.591%  kept
          QD2   LEU   67 - HG    LEU   71   8.57 +/- 2.14  18.850% *  4.1205% (0.10   0.02   0.02) =   4.380%  kept
          QD1   ILE  103 - HG13  ILE   19  15.90 +/- 3.03   3.298% *  6.4569% (0.15   0.02   0.02) =   1.201%  kept
          QG2   ILE  119 - HG    LEU   71  14.46 +/- 3.21   7.032% *  1.6678% (0.04   0.02   0.02) =   0.661%  kept
          QD1   ILE  103 - HG    LEU   71  13.55 +/- 2.71   5.655% *  0.9256% (0.02   0.02   0.02) =   0.295%  kept
    Distance limit 3.09 A violated in 14 structures by 2.49 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.64, support = 5.88, residual support = 169.4:
          HN    ILE   19 - HG13  ILE   19   2.81 +/- 0.71  64.710% * 88.2604% (0.65   5.95 171.75) =  98.610%  kept
          HN    VAL   42 - HG    LEU   71   7.54 +/- 2.19  13.653% *  2.9682% (0.14   0.94   1.33) =   0.700%  kept
          HN    LEU   73 - HG    LEU   71   8.17 +/- 1.20   4.516% *  6.7583% (0.14   2.13   1.64) =   0.527%  kept
          HN    ILE   19 - HG    LEU   71  10.68 +/- 6.39   5.230% *  0.9820% (0.09   0.46   0.45) =   0.089%
          HN    LEU   73 - HG13  ILE   19   9.06 +/- 5.49   7.068% *  0.4426% (0.97   0.02   5.22) =   0.054%
          HN    VAL   42 - HG13  ILE   19  11.09 +/- 4.29   2.422% *  0.4426% (0.97   0.02   0.02) =   0.019%
          HN    LYS+ 106 - HG13  ILE   19  20.40 +/- 3.41   0.644% *  0.1275% (0.28   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   71  17.88 +/- 3.37   1.756% *  0.0183% (0.04   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.412, support = 2.21, residual support = 13.7:
          HE22  GLN   30 - QG2   ILE   19   4.39 +/- 2.56  84.299% * 97.4366% (0.41   2.21  13.73) =  99.786%  kept
          HD22  ASN   69 - QG2   ILE   19  13.37 +/- 3.86   6.377% *  2.1391% (1.00   0.02   0.02) =   0.166%  kept
          QE    PHE   45 - QG2   ILE   19  12.75 +/- 2.98   9.323% *  0.4243% (0.20   0.02   0.02) =   0.048%
    Distance limit 4.12 A violated in 2 structures by 0.72 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.01, residual support = 13.7:
          HE21  GLN   30 - QG2   ILE   19   4.17 +/- 2.63  71.354% * 97.4252% (1.00   2.02  13.73) =  99.654%  kept
          HD1   TRP   27 - QG2   ILE   19   8.84 +/- 0.91  14.212% *  0.8403% (0.87   0.02   0.02) =   0.171%  kept
          QD    PHE   59 - QG2   ILE   19  13.35 +/- 2.33  12.669% *  0.8403% (0.87   0.02   0.02) =   0.153%  kept
          HH2   TRP   49 - QG2   ILE   19  20.97 +/- 3.29   1.766% *  0.8942% (0.92   0.02   0.02) =   0.023%
    Distance limit 4.09 A violated in 2 structures by 0.47 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.25, support = 2.07, residual support = 13.7:
          HE22  GLN   30 - QD1   ILE   19   5.30 +/- 1.87  90.161% * 93.5417% (0.25   2.08  13.73) =  99.751%  kept
          HN    CYS   50 - QD1   ILE   19  19.91 +/- 2.55   3.414% *  2.8911% (0.80   0.02   0.02) =   0.117%  kept
          HN    TRP   49 - QD1   ILE   19  20.03 +/- 2.78   2.949% *  2.3357% (0.65   0.02   0.02) =   0.081%
          HN    VAL   83 - QD1   ILE   19  18.92 +/- 5.13   3.476% *  1.2316% (0.34   0.02   0.02) =   0.051%
    Distance limit 4.25 A violated in 6 structures by 1.23 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  17.48 +/- 2.78 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.05 A violated in 20 structures by 13.43 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.84, residual support = 25.6:
          HA    ILE   19 - QB    ALA   20   3.90 +/- 0.05  88.606% * 98.7218% (0.92   3.84  25.60) =  99.936%  kept
          HA    GLU-  25 - QB    ALA   20  10.21 +/- 1.76   7.409% *  0.5573% (1.00   0.02   0.02) =   0.047%
          HA    CYS   53 - QB    ALA   20  16.60 +/- 3.28   2.619% *  0.3828% (0.69   0.02   0.02) =   0.011%
          HA    SER   82 - QB    ALA   20  18.87 +/- 6.58   1.366% *  0.3380% (0.61   0.02   0.02) =   0.005%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.843, support = 0.02, residual support = 2.82:
          QE    LYS+  74 - QB    ALA   20   8.18 +/- 4.90  44.162% * 25.4326% (0.90   0.02   5.48) =  51.326%  kept
          HB2   PHE   72 - QB    ALA   20   9.91 +/- 3.23  21.996% * 16.0552% (0.57   0.02   0.02) =  16.138%  kept
          QB    CYS   50 - QB    ALA   20  14.38 +/- 2.97  13.052% * 26.1780% (0.92   0.02   0.02) =  15.613%  kept
          HB3   ASN   69 - QB    ALA   20  14.88 +/- 4.11  11.922% * 27.3678% (0.97   0.02   0.02) =  14.910%  kept
          HB3   ASP-  78 - QB    ALA   20  14.33 +/- 5.96   8.867% *  4.9664% (0.18   0.02   0.02) =   2.012%  kept
    Distance limit 3.71 A violated in 16 structures by 3.49 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 2.04, residual support = 4.43:
          HD2   HIS   22 - QB    ALA   20   3.67 +/- 0.95  56.073% * 73.7271% (0.92   2.18   5.17) =  85.126%  kept
          HN    THR   23 - QB    ALA   20   4.99 +/- 1.18  29.797% * 24.0385% (0.53   1.25   0.19) =  14.749%  kept
          QE    PHE   95 - QB    ALA   20  14.27 +/- 2.50   7.495% *  0.3560% (0.49   0.02   0.02) =   0.055%
          HN    LEU   67 - QB    ALA   20  12.08 +/- 3.64   2.593% *  0.6559% (0.90   0.02   0.02) =   0.035%
          HD1   TRP   49 - QB    ALA   20  17.42 +/- 4.21   1.295% *  0.7249% (0.99   0.02   0.02) =   0.019%
          HD21  ASN   35 - QB    ALA   20  16.34 +/- 2.08   1.704% *  0.3848% (0.53   0.02   0.02) =   0.014%
          QD    PHE   55 - QB    ALA   20  17.23 +/- 3.54   1.043% *  0.1128% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.89, residual support = 16.8:
          HN    CYS   21 - QB    ALA   20   3.56 +/- 0.08  93.467% * 99.1303% (0.95   3.90  16.82) =  99.983%  kept
          HN    LYS+  33 - QB    ALA   20  12.13 +/- 1.73   2.919% *  0.3263% (0.61   0.02   0.02) =   0.010%
          HN    ILE  119 - QB    ALA   20  18.04 +/- 3.23   1.202% *  0.2831% (0.53   0.02   0.02) =   0.004%
          HN    SER   37 - QB    ALA   20  14.88 +/- 2.38   1.646% *  0.0942% (0.18   0.02   0.02) =   0.002%
          HN    ILE   89 - QB    ALA   20  20.03 +/- 5.03   0.766% *  0.1661% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.73, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.14 +/- 0.14  99.251% * 99.6086% (0.31  10.0   3.73  15.21) =  99.998%  kept
          HN    PHE   45 - QB    ALA   20  13.65 +/- 3.58   0.596% *  0.2343% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA  110 - QB    ALA   20  21.14 +/- 2.91   0.153% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.617, support = 0.02, residual support = 0.108:
          HB    VAL   41 - HB2   CYS   21  10.86 +/- 3.53  18.765% *  9.0526% (0.65   0.02   0.40) =  23.373%  kept
          HG    LEU  123 - HB2   CYS   21  20.44 +/- 5.98   8.185% * 13.7167% (0.98   0.02   0.02) =  15.448%  kept
          QB    LYS+  33 - HB2   CYS   21  10.20 +/- 1.95  18.942% *  4.7734% (0.34   0.02   0.02) =  12.441%  kept
          HG12  ILE  103 - HB2   CYS   21  15.32 +/- 2.99   5.751% * 11.2053% (0.80   0.02   0.02) =   8.866%  kept
          HG3   PRO   68 - HB2   CYS   21  17.45 +/- 3.59   6.761% *  7.9226% (0.57   0.02   0.02) =   7.370%  kept
          HG2   ARG+  54 - HB2   CYS   21  20.56 +/- 5.37   6.953% *  6.8115% (0.49   0.02   0.02) =   6.516%  kept
          QB    LYS+  66 - HB2   CYS   21  14.61 +/- 2.95   5.823% *  6.2738% (0.45   0.02   0.02) =   5.027%  kept
          HB3   ASP- 105 - HB2   CYS   21  17.25 +/- 3.55   5.696% *  6.2738% (0.45   0.02   0.02) =   4.917%  kept
          HB    ILE  103 - HB2   CYS   21  17.16 +/- 3.34   4.774% *  7.3624% (0.53   0.02   0.02) =   4.836%  kept
          HB3   PRO   52 - HB2   CYS   21  21.96 +/- 3.98   2.276% * 13.7167% (0.98   0.02   0.02) =   4.295%  kept
          QB    LYS+  81 - HB2   CYS   21  16.73 +/- 5.63   6.795% *  3.1155% (0.22   0.02   0.02) =   2.913%  kept
          QB    LYS+ 106 - HB2   CYS   21  16.33 +/- 2.47   4.560% *  2.7693% (0.20   0.02   0.02) =   1.738%  kept
          HB3   GLN   90 - HB2   CYS   21  22.66 +/- 4.15   2.217% *  3.8908% (0.28   0.02   0.02) =   1.187%  kept
          HG2   PRO   93 - HB2   CYS   21  19.41 +/- 2.57   2.503% *  3.1155% (0.22   0.02   0.02) =   1.073%  kept
    Distance limit 3.80 A violated in 18 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.817, support = 1.35, residual support = 5.96:
          QD1   LEU   73 - HB2   CYS   21   4.97 +/- 3.99  35.025% * 50.0276% (0.80   1.50   7.55) =  78.341%  kept
          QD2   LEU   63 - HB2   CYS   21  11.48 +/- 3.61   9.951% * 36.3971% (0.92   0.95   0.22) =  16.194%  kept
          QD1   LEU   63 - HB2   CYS   21  11.59 +/- 3.43   9.164% * 11.9904% (0.80   0.36   0.22) =   4.913%  kept
          QD2   LEU  115 - HB2   CYS   21  15.09 +/- 4.59   9.786% *  0.3735% (0.45   0.02   0.02) =   0.163%  kept
          QG2   VAL   41 - HB2   CYS   21   9.04 +/- 3.29   8.364% *  0.3126% (0.38   0.02   0.40) =   0.117%  kept
          QD2   LEU   80 - HB2   CYS   21  11.41 +/- 7.25   5.923% *  0.3425% (0.41   0.02   0.02) =   0.091%
          QD1   LEU   80 - HB2   CYS   21  12.33 +/- 7.53  10.328% *  0.1855% (0.22   0.02   0.02) =   0.086%
          QD1   LEU  104 - HB2   CYS   21  13.76 +/- 3.80   9.228% *  0.1855% (0.22   0.02   0.02) =   0.077%
          QD2   LEU   98 - HB2   CYS   21  11.36 +/- 2.93   2.230% *  0.1855% (0.22   0.02   0.02) =   0.018%
    Distance limit 3.82 A violated in 2 structures by 0.59 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.79, residual support = 30.3:
      O T HA    CYS   21 - HB2   CYS   21   2.63 +/- 0.26  98.604% * 99.6850% (0.92  10.0 10.00   2.79  30.28) =  99.999%  kept
          HA    LYS+ 102 - HB2   CYS   21  17.07 +/- 3.42   0.551% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB2   CYS   21  21.20 +/- 4.00   0.292% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  19.67 +/- 3.28   0.328% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  23.64 +/- 3.35   0.224% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 3.26, residual support = 7.01:
          HD2   HIS   22 - HB2   CYS   21   5.61 +/- 0.85  38.485% * 73.4505% (0.92   3.72   8.64) =  69.191%  kept
          HN    THR   23 - HB2   CYS   21   4.89 +/- 1.02  49.749% * 25.2431% (0.53   2.24   3.37) =  30.739%  kept
          HN    LEU   67 - HB2   CYS   21  14.05 +/- 3.33   3.519% *  0.3835% (0.90   0.02   0.02) =   0.033%
          QE    PHE   95 - HB2   CYS   21  14.72 +/- 3.11   2.372% *  0.2081% (0.49   0.02   0.02) =   0.012%
          HD1   TRP   49 - HB2   CYS   21  20.24 +/- 3.73   1.056% *  0.4238% (0.99   0.02   0.02) =   0.011%
          HD21  ASN   35 - HB2   CYS   21  16.07 +/- 1.85   1.513% *  0.2250% (0.53   0.02   0.02) =   0.008%
          QD    PHE   55 - HB2   CYS   21  19.57 +/- 4.76   3.306% *  0.0660% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.22 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.43, residual support = 30.3:
      O   HN    CYS   21 - HB2   CYS   21   2.68 +/- 0.38  95.017% * 99.8294% (0.95  10.0   3.43  30.28) =  99.997%  kept
          HN    LYS+  33 - HB2   CYS   21  11.02 +/- 1.85   1.948% *  0.0640% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB2   CYS   21  18.71 +/- 5.30   1.949% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HB2   CYS   21  14.96 +/- 2.23   0.771% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  20.87 +/- 5.30   0.316% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.417, support = 0.02, residual support = 0.1:
          HB    VAL   41 - HB3   CYS   21  11.37 +/- 3.56  16.624% *  9.0526% (0.44   0.02   0.40) =  21.238%  kept
          HG    LEU  123 - HB3   CYS   21  21.29 +/- 6.19   7.595% * 13.7167% (0.67   0.02   0.02) =  14.703%  kept
          QB    LYS+  33 - HB3   CYS   21  10.40 +/- 1.74  18.806% *  4.7734% (0.23   0.02   0.02) =  12.669%  kept
          HG12  ILE  103 - HB3   CYS   21  15.40 +/- 3.11   6.115% * 11.2053% (0.55   0.02   0.02) =   9.670%  kept
          HG3   PRO   68 - HB3   CYS   21  18.39 +/- 3.66   6.890% *  7.9226% (0.39   0.02   0.02) =   7.703%  kept
          HG2   ARG+  54 - HB3   CYS   21  20.83 +/- 5.68   7.325% *  6.8115% (0.33   0.02   0.02) =   7.041%  kept
          HB    ILE  103 - HB3   CYS   21  17.24 +/- 3.51   5.504% *  7.3624% (0.36   0.02   0.02) =   5.719%  kept
          HB3   ASP- 105 - HB3   CYS   21  17.69 +/- 3.79   5.291% *  6.2738% (0.31   0.02   0.02) =   4.684%  kept
          QB    LYS+  66 - HB3   CYS   21  15.36 +/- 3.04   4.814% *  6.2738% (0.31   0.02   0.02) =   4.263%  kept
          QB    LYS+  81 - HB3   CYS   21  16.11 +/- 5.97   9.304% *  3.1155% (0.15   0.02   0.02) =   4.091%  kept
          HB3   PRO   52 - HB3   CYS   21  22.10 +/- 4.36   2.003% * 13.7167% (0.67   0.02   0.02) =   3.877%  kept
          QB    LYS+ 106 - HB3   CYS   21  16.51 +/- 2.62   4.589% *  2.7693% (0.14   0.02   0.02) =   1.794%  kept
          HB3   GLN   90 - HB3   CYS   21  22.32 +/- 4.41   2.644% *  3.8908% (0.19   0.02   0.02) =   1.452%  kept
          HG2   PRO   93 - HB3   CYS   21  19.63 +/- 2.69   2.497% *  3.1155% (0.15   0.02   0.02) =   1.098%  kept
    Distance limit 3.89 A violated in 17 structures by 3.66 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.605, support = 1.97, residual support = 3.03:
          QG2   THR   26 - HB3   CYS   21   4.27 +/- 1.79  45.885% * 75.8859% (0.60   2.17   2.45) =  88.126%  kept
          HB2   LYS+  74 - HB3   CYS   21   9.18 +/- 4.62  21.062% * 21.5998% (0.69   0.54   7.62) =  11.514%  kept
          HD2   LYS+ 121 - HB3   CYS   21  20.26 +/- 5.61   8.891% *  0.5858% (0.50   0.02   0.02) =   0.132%  kept
          HG2   LYS+  65 - HB3   CYS   21  14.99 +/- 3.40   4.617% *  0.6460% (0.55   0.02   0.02) =   0.075%
          HB3   LEU   40 - HB3   CYS   21  15.01 +/- 2.56   3.615% *  0.4568% (0.39   0.02   0.02) =   0.042%
          HG    LEU  115 - HB3   CYS   21  18.92 +/- 5.14   5.539% *  0.2752% (0.23   0.02   0.02) =   0.039%
          QB    ALA  120 - HB3   CYS   21  18.86 +/- 4.99   5.232% *  0.2752% (0.23   0.02   0.02) =   0.036%
          QD    LYS+  66 - HB3   CYS   21  16.50 +/- 3.63   5.158% *  0.2752% (0.23   0.02   0.02) =   0.036%
    Distance limit 4.19 A violated in 2 structures by 0.47 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.554, support = 1.6, residual support = 6.11:
          QD1   LEU   73 - HB3   CYS   21   5.46 +/- 3.73  31.711% * 53.8848% (0.55   1.81   7.55) =  80.413%  kept
          QD1   LEU   63 - HB3   CYS   21  12.21 +/- 3.61   8.962% * 27.2296% (0.55   0.91   0.22) =  11.484%  kept
          QD2   LEU   63 - HB3   CYS   21  12.17 +/- 3.62   9.166% * 17.4693% (0.63   0.51   0.22) =   7.535%  kept
          QD2   LEU  115 - HB3   CYS   21  15.55 +/- 4.69   9.141% *  0.3337% (0.31   0.02   0.02) =   0.144%  kept
          QD2   LEU   80 - HB3   CYS   21  10.82 +/- 7.50   9.263% *  0.3060% (0.28   0.02   0.02) =   0.133%  kept
          QG2   VAL   41 - HB3   CYS   21   9.49 +/- 3.19   8.027% *  0.2794% (0.26   0.02   0.40) =   0.106%  kept
          QD1   LEU   80 - HB3   CYS   21  11.82 +/- 7.76  12.655% *  0.1657% (0.15   0.02   0.02) =   0.099%
          QD1   LEU  104 - HB3   CYS   21  14.13 +/- 4.16   8.972% *  0.1657% (0.15   0.02   0.02) =   0.070%
          QD2   LEU   98 - HB3   CYS   21  11.51 +/- 2.93   2.103% *  0.1657% (0.15   0.02   0.02) =   0.016%
    Distance limit 3.99 A violated in 1 structures by 0.39 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.43, residual support = 30.3:
      O   HN    CYS   21 - HB3   CYS   21   3.36 +/- 0.39  90.935% * 99.8294% (0.65  10.0   3.43  30.28) =  99.995%  kept
          HN    LYS+  33 - HB3   CYS   21  11.16 +/- 1.70   3.431% *  0.0640% (0.42   1.0   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   CYS   21  19.40 +/- 5.43   3.587% *  0.0555% (0.36   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   CYS   21  20.54 +/- 5.56   0.748% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.41 +/- 2.02   1.300% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.524, support = 0.696, residual support = 1.37:
          HN    TRP   27 - HB3   CYS   21   4.76 +/- 2.11  58.536% * 87.9341% (0.52   0.71   1.39) =  98.607%  kept
          HD1   TRP   87 - HB3   CYS   21  18.29 +/- 6.85   8.105% *  3.0119% (0.63   0.02   0.02) =   0.468%  kept
          HN    THR   39 - HB3   CYS   21  15.00 +/- 2.31   5.191% *  3.0864% (0.65   0.02   0.02) =   0.307%  kept
          HN    ALA   61 - HB3   CYS   21  15.17 +/- 3.54  13.854% *  1.1129% (0.23   0.02   0.02) =   0.295%  kept
          HN    GLU-  36 - HB3   CYS   21  15.17 +/- 1.77   3.413% *  1.8472% (0.39   0.02   0.02) =   0.121%  kept
          HN    LYS+ 102 - HB3   CYS   21  17.72 +/- 3.56   4.106% *  1.2245% (0.26   0.02   0.02) =   0.096%
          HN    ALA   91 - HB3   CYS   21  20.74 +/- 3.97   2.800% *  1.3413% (0.28   0.02   0.02) =   0.072%
          HE3   TRP   87 - HB3   CYS   21  20.94 +/- 6.55   3.994% *  0.4416% (0.09   0.02   0.02) =   0.034%
    Distance limit 4.17 A violated in 8 structures by 1.10 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.552, support = 3.45, residual support = 7.06:
          HD2   HIS   22 - HB3   CYS   21   5.35 +/- 0.99  36.654% * 76.5751% (0.63   4.05   8.64) =  69.969%  kept
          HN    THR   23 - HB3   CYS   21   4.25 +/- 1.12  54.229% * 22.1744% (0.36   2.06   3.37) =  29.977%  kept
          HN    LEU   67 - HB3   CYS   21  14.95 +/- 3.32   2.968% *  0.3671% (0.62   0.02   0.02) =   0.027%
          QE    PHE   95 - HB3   CYS   21  15.12 +/- 3.14   2.026% *  0.1992% (0.33   0.02   0.02) =   0.010%
          HD1   TRP   49 - HB3   CYS   21  20.15 +/- 3.93   0.785% *  0.4057% (0.68   0.02   0.02) =   0.008%
          HD21  ASN   35 - HB3   CYS   21  16.26 +/- 1.75   0.941% *  0.2153% (0.36   0.02   0.02) =   0.005%
          QD    PHE   55 - HB3   CYS   21  19.91 +/- 5.13   2.398% *  0.0632% (0.11   0.02   0.02) =   0.004%
    Distance limit 4.26 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 = 2.79, residual support = 30.3:
      O T HA    CYS   21 - HB3   CYS   21   2.64 +/- 0.23  98.156% * 99.6850% (0.63  10.0 10.00   2.79  30.28) =  99.998%  kept
          HA    LYS+ 102 - HB3   CYS   21  17.13 +/- 3.59   0.641% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB3   CYS   21  21.19 +/- 4.26   0.534% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  19.76 +/- 3.61   0.491% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  23.83 +/- 3.37   0.178% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.71, support = 2.94, residual support = 34.1:
      O   HD2   HIS   22 - HB2   HIS   22   3.84 +/- 0.31  50.354% * 87.2782% (0.74  10.0   2.73  35.33) =  90.798%  kept
          HN    THR   23 - HB2   HIS   22   4.34 +/- 0.28  35.771% * 12.4330% (0.42   1.0   5.00  21.67) =   9.188%  kept
          QE    PHE   95 - HB2   HIS   22  18.06 +/- 4.50  11.330% *  0.0460% (0.39   1.0   0.02   0.02) =   0.011%
          HN    LEU   67 - HB2   HIS   22  18.20 +/- 4.38   0.819% *  0.0848% (0.72   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   HIS   22  20.21 +/- 5.43   0.662% *  0.0937% (0.79   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   HIS   22  21.11 +/- 1.90   0.328% *  0.0497% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  21.88 +/- 5.45   0.736% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.929, support = 3.37, residual support = 35.0:
      O   HD2   HIS   22 - HB3   HIS   22   3.12 +/- 0.37  64.555% * 94.8340% (0.95  10.0   3.32  35.33) =  97.814%  kept
          HN    THR   23 - HB3   HIS   22   4.32 +/- 0.24  27.740% *  4.9255% (0.18   1.0   5.61  21.67) =   2.183%  kept
          QE    PHE   95 - HB3   HIS   22  18.20 +/- 4.27   5.975% *  0.0155% (0.15   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   HIS   22  20.70 +/- 5.18   0.618% *  0.0837% (0.84   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   HIS   22  18.03 +/- 4.35   0.849% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   HIS   22  20.49 +/- 2.15   0.264% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.342, support = 3.48, residual support = 21.6:
          QG2   THR   23 - HB3   HIS   22   3.96 +/- 0.40  86.033% * 96.1705% (0.34   3.49  21.67) =  99.760%  kept
          QG2   THR   77 - HB3   HIS   22  14.23 +/- 4.45  10.600% *  1.6011% (0.99   0.02   0.02) =   0.205%  kept
          QB    ALA   88 - HB3   HIS   22  20.92 +/- 5.15   1.874% *  1.1730% (0.73   0.02   0.02) =   0.027%
          HG2   LYS+  38 - HB3   HIS   22  22.54 +/- 2.78   0.662% *  0.6063% (0.38   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HB3   HIS   22  22.34 +/- 3.77   0.831% *  0.4491% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.01 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.422, support = 2.99, residual support = 10.7:
          HN    ALA   47 - HB    THR   46   3.49 +/- 0.60  84.051% * 68.1002% (0.38   3.20  11.68) =  91.837%  kept
          QD    PHE   95 - HB    THR   46   7.99 +/- 1.76  15.949% * 31.8998% (0.95   0.60   0.02) =   8.163%  kept
    Distance limit 4.28 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 = 3.23, residual support = 34.3:
      O   HN    THR   46 - HB    THR   46   3.37 +/- 0.40  79.790% * 99.6646% (0.87  10.0   3.23  34.27) =  99.979%  kept
          HN    MET   92 - HB    THR   46   8.12 +/- 1.79  14.613% *  0.0789% (0.69   1.0   0.02   0.02) =   0.014%
          HN    LYS+  74 - HB    THR   46  10.36 +/- 1.69   3.122% *  0.1126% (0.98   1.0   0.02   0.19) =   0.004%
          HN    LYS+ 112 - HB    THR   46  14.07 +/- 2.98   2.340% *  0.0604% (0.53   1.0   0.02   0.02) =   0.002%
          HN    MET   11 - HB    THR   46  31.02 +/- 4.27   0.136% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.393, support = 0.02, residual support = 0.02:
        T HB2   LEU   63 - HB2   HIS   22  18.04 +/- 5.05  15.162% * 28.3087% (0.14 10.00   0.02   0.02) =  36.424%  kept
          QG2   THR   77 - HB2   HIS   22  14.02 +/- 4.72  20.005% * 12.9434% (0.64  1.00   0.02   0.02) =  21.973%  kept
          HB3   LEU   80 - HB2   HIS   22  15.67 +/- 8.79  24.489% *  4.0306% (0.20  1.00   0.02   0.02) =   8.376%  kept
          QB    ALA   88 - HB2   HIS   22  20.68 +/- 5.44   5.883% * 16.1643% (0.80  1.00   0.02   0.02) =   8.069%  kept
          HG2   LYS+  99 - HB2   HIS   22  22.89 +/- 3.66   7.896% * 11.7377% (0.58  1.00   0.02   0.02) =   7.865%  kept
          HB2   LEU   31 - HB2   HIS   22  15.40 +/- 1.21  14.322% *  6.0667% (0.30  1.00   0.02   0.02) =   7.373%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.20 +/- 2.57   4.502% * 13.5016% (0.67  1.00   0.02   0.02) =   5.159%  kept
          HG2   LYS+ 111 - HB2   HIS   22  28.00 +/- 5.87   7.740% *  7.2470% (0.36  1.00   0.02   0.02) =   4.760%  kept
    Distance limit 4.06 A violated in 18 structures by 5.77 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.47, residual support = 16.8:
      O   HN    CYS   21 - HA    ALA   20   2.23 +/- 0.03  98.787% * 99.8294% (0.95  10.0   3.47  16.82) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  13.49 +/- 1.64   0.511% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  19.75 +/- 3.94   0.282% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  16.82 +/- 2.61   0.284% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  22.81 +/- 5.95   0.135% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  13.04 +/- 6.83 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.30 A violated in 20 structures by 9.74 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.654, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22  10.10 +/- 8.03  46.434% * 18.5628% (0.57   0.02   0.02) =  43.289%  kept
          QG    GLN   32 - HA    HIS   22  15.75 +/- 0.98  15.731% * 27.4474% (0.85   0.02   0.02) =  21.685%  kept
          HB    VAL  107 - HA    HIS   22  20.49 +/- 4.12  13.900% * 26.5475% (0.82   0.02   0.02) =  18.532%  kept
          QE    LYS+ 112 - HA    HIS   22  21.65 +/- 5.61  14.976% * 13.7211% (0.42   0.02   0.02) =  10.320%  kept
          HB3   PHE   45 - HA    HIS   22  15.96 +/- 4.20   8.959% * 13.7211% (0.42   0.02   0.02) =   6.173%  kept
    Distance limit 3.41 A violated in 13 structures by 4.04 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.418, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   9.15 +/- 4.69  29.517% * 28.4146% (0.26 10.00   0.02   0.02) =  65.372%  kept
          HB    VAL   83 - HA    HIS   22  15.50 +/- 7.94  15.508% *  8.1833% (0.76  1.00   0.02   0.02) =   9.892%  kept
          QD    LYS+  65 - HA    HIS   22  14.72 +/- 3.60  12.108% *  7.4210% (0.69  1.00   0.02   0.02) =   7.004%  kept
          QD    LYS+ 102 - HA    HIS   22  20.22 +/- 3.94   7.088% *  9.8627% (0.91  1.00   0.02   0.02) =   5.449%  kept
          HB2   LYS+ 121 - HA    HIS   22  22.76 +/- 4.89   5.492% *  7.0200% (0.65  1.00   0.02   0.02) =   3.005%  kept
          HB2   LEU  123 - HA    HIS   22  25.21 +/- 5.79   4.482% *  8.1833% (0.76  1.00   0.02   0.02) =   2.859%  kept
          HD2   LYS+  74 - HA    HIS   22  10.87 +/- 4.89  16.299% *  1.7898% (0.17  1.00   0.02   0.02) =   2.274%  kept
          QD    LYS+  38 - HA    HIS   22  21.19 +/- 2.21   1.875% *  9.4340% (0.87  1.00   0.02   0.02) =   1.379%  kept
          HG3   PRO   93 - HA    HIS   22  20.21 +/- 3.69   2.056% *  8.5362% (0.79  1.00   0.02   0.02) =   1.368%  kept
          HB3   MET   92 - HA    HIS   22  20.90 +/- 3.60   1.681% *  4.2014% (0.39  1.00   0.02   0.02) =   0.550%  kept
          HD2   LYS+ 111 - HA    HIS   22  27.31 +/- 5.14   1.251% *  5.3768% (0.50  1.00   0.02   0.02) =   0.524%  kept
          QD    LYS+ 106 - HA    HIS   22  18.89 +/- 3.21   2.643% *  1.5768% (0.15  1.00   0.02   0.02) =   0.325%  kept
    Distance limit 3.57 A violated in 18 structures by 3.22 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.366, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.66 +/- 0.57  79.339% * 67.5049% (0.39   0.02   0.02) =  88.861%  kept
          HN    LEU   40 - HA    HIS   22  18.43 +/- 2.69  20.661% * 32.4951% (0.19   0.02   0.02) =  11.139%  kept
    Distance limit 3.71 A violated in 20 structures by 6.83 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 5.38, residual support = 25.7:
      O   HN    VAL   24 - HA    THR   23   2.37 +/- 0.33 100.000% *100.0000% (0.64  10.0   5.38  25.75) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2379 (9.23, 4.81, 31.51 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.29, residual support = 25.7:
          HN    VAL   24 - HB    THR   23   3.85 +/- 0.48 100.000% *100.0000% (0.49   5.29  25.75) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.732, support = 4.52, residual support = 19.5:
          HN    THR   23 - QG2   THR   23   3.03 +/- 0.55  43.719% * 63.2538% (0.73   4.88  19.10) =  84.608%  kept
          HD2   HIS   22 - QG2   THR   23   5.10 +/- 1.07  14.338% * 34.9533% (0.76   2.56  21.67) =  15.334%  kept
          HD1   TRP   49 - QB    ALA   91   6.51 +/- 2.79  15.906% *  0.0336% (0.09   0.02   0.02) =   0.016%
          QE    PHE   95 - QG2   THR   23  16.36 +/- 3.17   1.287% *  0.2451% (0.69   0.02   0.02) =   0.010%
          HE3   TRP   27 - QG2   THR   23   8.16 +/- 1.10   2.553% *  0.0794% (0.22   0.02   1.30) =   0.006%
          HN    LEU   67 - QG2   THR   23  16.30 +/- 3.06   0.399% *  0.3537% (0.99   0.02   0.02) =   0.004%
          HN    LEU   67 - QG2   THR   39  11.06 +/- 2.37   1.328% *  0.0787% (0.22   0.02   0.02) =   0.003%
          HD1   TRP   49 - QG2   THR   23  18.56 +/- 3.60   0.311% *  0.3200% (0.90   0.02   0.02) =   0.003%
          QD    PHE   55 - QB    ALA   91  11.22 +/- 3.23   8.385% *  0.0104% (0.03   0.02   0.02) =   0.003%
          HD21  ASN   35 - QG2   THR   39   9.15 +/- 1.34   2.326% *  0.0271% (0.08   0.02   0.02) =   0.002%
          QE    PHE   95 - QB    ALA   91   9.42 +/- 1.11   2.227% *  0.0258% (0.07   0.02   0.02) =   0.002%
          HD2   HIS   22 - QG2   THR   39  14.02 +/- 3.87   0.879% *  0.0607% (0.17   0.02   0.02) =   0.002%
          HE3   TRP   27 - QG2   THR   39  10.13 +/- 2.00   2.416% *  0.0177% (0.05   0.02   0.02) =   0.001%
          HD21  ASN   35 - QG2   THR   23  16.30 +/- 1.26   0.309% *  0.1217% (0.34   0.02   0.02) =   0.001%
          HN    THR   23 - QG2   THR   39  14.11 +/- 2.84   0.645% *  0.0577% (0.16   0.02   0.02) =   0.001%
          QE    PHE   95 - QG2   THR   39  14.63 +/- 1.91   0.586% *  0.0546% (0.15   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   THR   23  19.78 +/- 3.95   0.290% *  0.0992% (0.28   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   91  17.50 +/- 3.20   0.638% *  0.0372% (0.10   0.02   0.02) =   0.001%
          HN    THR   23 - QB    ALA   91  17.39 +/- 3.76   0.357% *  0.0272% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.64 +/- 1.98   0.136% *  0.0712% (0.20   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  18.85 +/- 3.81   0.284% *  0.0287% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.89 +/- 1.62   0.190% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  16.39 +/- 3.07   0.394% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  24.93 +/- 2.32   0.097% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.60 +/- 0.69  96.840% * 91.4896% (0.34   1.83  10.79) =  99.914%  kept
          HG3   MET   96 - HA    VAL   83  13.81 +/- 4.43   2.108% *  2.9245% (1.00   0.02   0.02) =   0.070%
          HB3   ASP-  62 - HA    VAL   83  22.50 +/- 3.04   0.246% *  2.2350% (0.76   0.02   0.02) =   0.006%
          HG2   GLU-  36 - HA    VAL   83  27.64 +/- 6.07   0.182% *  2.6997% (0.92   0.02   0.02) =   0.006%
          HG2   GLU-  29 - HA    VAL   83  22.14 +/- 8.83   0.624% *  0.6511% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.12 A violated in 0 structures by 0.00 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   2.59 +/- 0.66  91.970% * 99.6258% (0.98 10.00   2.25  10.79) =  99.996%  kept
          HB2   ASP-  78 - HA    VAL   83  10.98 +/- 2.21   5.668% *  0.0283% (0.28  1.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HA    VAL   83  18.66 +/- 9.50   1.392% *  0.0912% (0.90  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    VAL   83  20.45 +/- 3.76   0.321% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  21.59 +/- 6.05   0.374% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  24.62 +/- 7.09   0.275% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 85.3:
      O   HN    VAL   83 - HA    VAL   83   2.80 +/- 0.03  98.765% * 99.7575% (0.57  10.0   4.70  85.32) =  99.999%  kept
          HN    CYS   50 - HA    VAL   83  17.56 +/- 2.83   0.543% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  16.44 +/- 2.57   0.692% *  0.0724% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   2.93 +/- 0.17  96.891% * 97.0740% (0.95   2.25  10.79) =  99.980%  kept
          HN    GLN   30 - HA    VAL   83  19.50 +/- 8.20   0.948% *  0.8941% (0.98   0.02   0.02) =   0.009%
          HN    GLU-  29 - HA    VAL   83  19.67 +/- 8.85   1.020% *  0.5164% (0.57   0.02   0.02) =   0.006%
          HN    LYS+  99 - HA    VAL   83  19.55 +/- 5.32   0.743% *  0.4090% (0.45   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    VAL   83  24.75 +/- 5.14   0.270% *  0.4799% (0.53   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    VAL   83  29.68 +/- 5.03   0.128% *  0.6266% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.09 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 = 0.72, support = 4.27, residual support = 16.9:
          HD1   TRP   87 - HA    VAL   83   3.74 +/- 0.30  81.263% * 87.3672% (0.73   4.31  16.94) =  98.552%  kept
          HE3   TRP   87 - HA    VAL   83   7.95 +/- 0.52   9.429% * 10.7012% (0.28   1.38  16.94) =   1.401%  kept
          HN    TRP   27 - HA    VAL   83  17.81 +/- 8.67   2.925% *  0.5277% (0.95   0.02   0.02) =   0.021%
          HN    ALA   91 - HA    VAL   83  11.17 +/- 0.92   3.331% *  0.3609% (0.65   0.02   0.02) =   0.017%
          HN    THR   39 - HA    VAL   83  23.89 +/- 4.64   0.478% *  0.4264% (0.76   0.02   0.02) =   0.003%
          HN    ALA   61 - HA    VAL   83  20.85 +/- 2.66   0.552% *  0.3159% (0.57   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    VAL   83  20.11 +/- 5.97   1.526% *  0.1104% (0.20   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   83  25.08 +/- 6.31   0.496% *  0.1903% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.615, support = 1.34, residual support = 2.93:
          QD2   LEU   80 - HA    VAL   24   9.00 +/- 8.80  31.116% * 29.8366% (0.41   1.71   5.26) =  43.686%  kept
          QD1   LEU   73 - HA    VAL   24   7.09 +/- 4.01  21.753% * 41.5216% (0.80   1.22   1.16) =  42.501%  kept
          QD1   LEU   63 - HA    VAL   24  13.79 +/- 4.33  12.971% * 16.7407% (0.80   0.49   0.02) =  10.218%  kept
          QD1   LEU   80 - HA    VAL   24  10.43 +/- 8.66   7.505% *  7.2280% (0.22   0.77   5.26) =   2.552%  kept
          QD2   LEU   63 - HA    VAL   24  14.07 +/- 3.98   4.438% *  3.5970% (0.92   0.09   0.02) =   0.751%  kept
          QD2   LEU  115 - HA    VAL   24  17.39 +/- 4.58   9.685% *  0.3802% (0.45   0.02   0.02) =   0.173%  kept
          QD1   LEU  104 - HA    VAL   24  15.24 +/- 4.66   9.707% *  0.1888% (0.22   0.02   0.02) =   0.086%
          QG2   VAL   41 - HA    VAL   24  10.95 +/- 2.53   1.181% *  0.3183% (0.38   0.02   0.02) =   0.018%
          QD2   LEU   98 - HA    VAL   24  12.12 +/- 3.00   1.645% *  0.1888% (0.22   0.02   0.02) =   0.015%
    Distance limit 3.15 A violated in 1 structures by 0.41 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
      O T HB    VAL   24 - HA    VAL   24   2.65 +/- 0.31  96.425% * 98.9275% (1.00  10.0 10.00   3.97  64.99) =  99.994%  kept
        T HB2   PRO   68 - HA    VAL   24  20.58 +/- 3.85   0.416% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLN   32 - HA    VAL   24  10.25 +/- 0.60   1.936% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    VAL   24  19.77 +/- 3.07   0.527% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  22.53 +/- 4.48   0.512% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  23.30 +/- 3.20   0.183% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 23.7:
        T HB3   TRP   27 - HA    VAL   24   3.56 +/- 0.36  91.749% * 99.7179% (1.00 10.00   3.00  23.72) =  99.995%  kept
          HB2   PHE   97 - HA    VAL   24  17.77 +/- 3.05   2.012% *  0.0991% (0.99  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HA    VAL   24  17.21 +/- 4.09   1.769% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HA    VAL   24  17.08 +/- 3.09   1.579% *  0.0486% (0.49  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    VAL   24  17.41 +/- 4.06   1.592% *  0.0448% (0.45  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  18.86 +/- 2.39   1.298% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.0:
      O   HN    VAL   24 - HA    VAL   24   2.73 +/- 0.05 100.000% *100.0000% (0.97  10.0   4.34  64.99) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.872, support = 5.67, residual support = 31.7:
      O   HN    GLU-  25 - HA    VAL   24   3.60 +/- 0.03  51.929% * 85.6338% (0.92  10.0   5.65  34.44) =  87.015%  kept
          HN    ASN   28 - HA    VAL   24   3.75 +/- 0.31  46.467% * 14.2785% (0.53   1.0   5.85  13.53) =  12.983%  kept
          HN    ASP-  44 - HA    VAL   24  12.53 +/- 2.60   1.604% *  0.0878% (0.95   1.0   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.05, residual support = 23.7:
          HN    TRP   27 - HA    VAL   24   3.17 +/- 0.21  94.257% * 94.6876% (0.45   3.05  23.72) =  99.937%  kept
          HD1   TRP   87 - HA    VAL   24  17.14 +/- 7.57   1.791% *  1.3726% (0.99   0.02   0.02) =   0.028%
          HN    THR   39 - HA    VAL   24  16.70 +/- 1.27   0.706% *  1.3574% (0.98   0.02   0.02) =   0.011%
          HN    LYS+ 102 - HA    VAL   24  18.05 +/- 3.99   1.006% *  0.9513% (0.69   0.02   0.02) =   0.011%
          HN    GLU-  36 - HA    VAL   24  15.93 +/- 0.55   0.787% *  1.2012% (0.87   0.02   0.02) =   0.011%
          HN    ALA   61 - HA    VAL   24  17.66 +/- 3.14   0.948% *  0.1874% (0.14   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    VAL   24  20.37 +/- 4.54   0.506% *  0.2425% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.25, residual support = 65.0:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  94.825% * 98.9402% (0.98  10.0 10.00   3.25  64.99) =  99.996%  kept
        T QG1   VAL   24 - HB2   PRO   68  18.71 +/- 3.99   0.370% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB    VAL   24  12.03 +/- 0.77   0.542% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  25.64 +/- 5.39   0.299% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.80 +/- 3.10   0.312% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.46 +/- 1.36   1.558% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.89 +/- 5.21   0.308% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.09 +/- 3.44   0.421% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.29 +/- 2.16   0.249% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.86 +/- 2.74   0.218% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.52 +/- 4.06   0.794% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.04 +/- 2.93   0.104% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.24, residual support = 65.0:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.02  95.960% * 99.6470% (1.00  10.0   3.24  64.99) =  99.997%  kept
          HG    LEU   63 - HB    VAL   24  18.80 +/- 4.87   1.061% *  0.0979% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU   63 - HB2   PRO   68  10.39 +/- 2.31   1.660% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   PRO   68  18.68 +/- 3.95   0.397% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  24.55 +/- 4.96   0.242% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.80 +/- 3.10   0.324% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  21.40 +/- 1.92   0.104% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.29 +/- 2.16   0.252% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.72, support = 1.66, residual support = 4.37:
          QD2   LEU   80 - HB    VAL   24   9.19 +/- 8.94  30.824% * 63.4479% (0.80   1.71   5.26) =  78.775%  kept
          QD1   LEU   73 - HB    VAL   24   8.79 +/- 4.05  16.214% * 29.9059% (0.41   1.57   1.16) =  19.531%  kept
          QD1   LEU   63 - HB    VAL   24  15.07 +/- 4.39  12.810% *  1.5635% (0.41   0.08   0.02) =   0.807%  kept
          QD2   LEU  115 - HB    VAL   24  18.30 +/- 4.59   9.008% *  0.7076% (0.76   0.02   0.02) =   0.257%  kept
          QD1   LEU  104 - HB    VAL   24  16.79 +/- 4.64   5.996% *  0.8935% (0.97   0.02   0.02) =   0.216%  kept
          QG1   VAL   83 - HB    VAL   24  11.75 +/- 7.84   5.833% *  0.8031% (0.87   0.02   0.02) =   0.189%  kept
          QD1   LEU   63 - HB2   PRO   68   9.49 +/- 2.20  10.978% *  0.2252% (0.24   0.02   0.02) =   0.100%
          QD1   LEU  104 - HB2   PRO   68  14.85 +/- 3.07   2.794% *  0.5285% (0.57   0.02   0.02) =   0.059%
          QD1   LEU   73 - HB2   PRO   68  14.01 +/- 1.83   1.995% *  0.2252% (0.24   0.02   0.02) =   0.018%
          QD2   LEU  115 - HB2   PRO   68  15.09 +/- 1.68   0.965% *  0.4186% (0.45   0.02   0.02) =   0.016%
          QD2   LEU   80 - HB2   PRO   68  18.92 +/- 3.21   0.731% *  0.4385% (0.47   0.02   0.02) =   0.013%
          QG2   ILE   89 - HB    VAL   24  15.33 +/- 4.76   0.916% *  0.2309% (0.25   0.02   0.02) =   0.009%
          QG1   VAL   83 - HB2   PRO   68  19.80 +/- 3.11   0.442% *  0.4751% (0.51   0.02   0.02) =   0.008%
          QG2   ILE   89 - HB2   PRO   68  20.94 +/- 3.42   0.493% *  0.1366% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.97 A violated in 3 structures by 0.29 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.02, residual support = 64.1:
      O T HA    VAL   24 - HB    VAL   24   2.65 +/- 0.31  73.288% * 89.0301% (0.90  10.0 10.00   3.97  64.99) =  96.255%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.18  24.664% * 10.2842% (0.10  10.0  1.00   5.47  42.29) =   3.742%  kept
        T HA    VAL   24 - HB2   PRO   68  20.58 +/- 3.85   0.312% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB2   PRO   68  15.46 +/- 2.90   0.916% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.89 +/- 1.92   0.225% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.82 +/- 4.67   0.594% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.25, residual support = 65.0:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.01  97.099% * 98.6521% (0.92  10.0 10.00   3.25  64.99) =  99.994%  kept
        T HB2   PRO   68 - QG1   VAL   24  18.71 +/- 3.99   0.379% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLN   32 - QG1   VAL   24  10.11 +/- 0.69   0.936% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - QG1   VAL   24  18.48 +/- 2.77   0.221% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  19.73 +/- 4.43   0.439% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  15.41 +/- 2.80   0.466% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  18.94 +/- 4.58   0.304% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  19.49 +/- 2.88   0.156% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.381, support = 5.74, residual support = 31.5:
      O   HN    ASN   69 - HB2   PRO   68   3.55 +/- 0.64  43.097% * 43.2801% (0.20  10.0   6.03  31.25) =  52.188%  kept
          HN    GLU-  25 - HB    VAL   24   3.49 +/- 0.63  44.885% * 33.1415% (0.53   1.0   5.87  34.44) =  41.621%  kept
          HN    ASN   28 - HB    VAL   24   5.71 +/- 0.27   9.557% * 23.1281% (0.92   1.0   2.34  13.53) =   6.185%  kept
          HN    ASP-  44 - HB    VAL   24  13.86 +/- 2.96   0.920% *  0.1214% (0.57   1.0   0.02   0.02) =   0.003%
          HN    ASP-  44 - HB2   PRO   68  14.92 +/- 1.47   0.562% *  0.0718% (0.33   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   PRO   68  20.34 +/- 3.29   0.317% *  0.1171% (0.55   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  20.56 +/- 4.33   0.395% *  0.0732% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  22.80 +/- 4.14   0.268% *  0.0668% (0.31   1.0   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.0:
      O   HN    VAL   24 - HB    VAL   24   2.40 +/- 0.24  99.708% * 99.9409% (0.38  10.0   4.68  64.99) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  21.98 +/- 4.24   0.292% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.08, residual support = 65.0:
          HN    VAL   24 - QG1   VAL   24   2.22 +/- 0.44 100.000% *100.0000% (0.73   4.08  64.99) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.422, support = 6.05, residual support = 125.2:
      O   HN    GLU-  25 - HB2   GLU-  25   3.02 +/- 0.29  84.977% * 89.4216% (0.41  10.0   6.14 127.50) =  98.106%  kept
          HN    ASN   28 - HB2   GLU-  25   5.64 +/- 0.14  14.117% * 10.3833% (0.98   1.0   0.97   3.78) =   1.892%  kept
          HN    ASP-  44 - HB2   GLU-  25  17.73 +/- 2.75   0.515% *  0.0975% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  22.01 +/- 4.03   0.391% *  0.0975% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.423, support = 5.79, residual support = 125.0:
      O   HN    GLU-  25 - HB3   GLU-  25   2.29 +/- 0.53  90.383% * 82.9054% (0.41  10.0   5.87 127.50) =  97.993%  kept
          HN    ASN   28 - HB3   GLU-  25   5.88 +/- 0.18   9.069% * 16.9138% (0.98   1.0   1.71   3.78) =   2.006%  kept
          HN    ASP-  44 - HB3   GLU-  25  17.67 +/- 2.80   0.291% *  0.0904% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  22.43 +/- 4.01   0.258% *  0.0904% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.23, residual support = 31.8:
          HN    THR   26 - HB3   GLU-  25   3.38 +/- 0.18  98.482% * 98.7381% (0.34   5.23  31.79) =  99.991%  kept
          HN    LEU   71 - HB3   GLU-  25  19.17 +/- 2.19   0.601% *  0.8463% (0.76   0.02   0.02) =   0.005%
          HN    GLU- 114 - HB3   GLU-  25  29.44 +/- 5.56   0.917% *  0.4156% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.92 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   3.51 +/- 0.18  79.212% * 86.5511% (0.26   2.96   2.90) =  98.950%  kept
          HN    LEU   80 - HA    SER   82   7.38 +/- 0.35   9.009% *  6.2682% (0.10   0.56   0.50) =   0.815%  kept
          HN    GLN   32 - HA    GLU-  25   9.35 +/- 0.57   4.484% *  2.2567% (1.00   0.02   0.02) =   0.146%  kept
          HN    ALA   34 - HA    GLU-  25  12.21 +/- 0.93   2.159% *  0.9278% (0.41   0.02   0.02) =   0.029%
          HN    SER   85 - HA    GLU-  25  20.79 +/- 8.74   0.994% *  1.8071% (0.80   0.02   0.02) =   0.026%
          HN    LEU   80 - HA    GLU-  25  16.50 +/- 8.31   2.388% *  0.6965% (0.31   0.02   0.02) =   0.024%
          HN    GLN   32 - HA    SER   82  23.04 +/- 8.17   0.638% *  0.7310% (0.32   0.02   0.02) =   0.007%
          HN    ALA   34 - HA    SER   82  24.53 +/- 6.38   0.392% *  0.3005% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    GLU-  25  25.72 +/- 2.50   0.241% *  0.3482% (0.15   0.02   0.02) =   0.001%
          HN    CYS   53 - HA    SER   82  20.45 +/- 2.86   0.482% *  0.1128% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.76 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 = 0.481, support = 5.53, residual support = 112.4:
      O   HN    GLU-  25 - HA    GLU-  25   2.73 +/- 0.04  70.746% * 72.6857% (0.41  10.0   5.87 127.50) =  87.775%  kept
          HN    ASN   28 - HA    GLU-  25   3.82 +/- 0.25  26.496% * 27.0248% (0.98   1.0   3.12   3.78) =  12.223%  kept
          HN    ASN   28 - HA    SER   82  19.02 +/- 9.39   0.737% *  0.0561% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  16.64 +/- 2.64   0.361% *  0.0793% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    SER   82  18.39 +/-10.02   0.960% *  0.0235% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  21.33 +/- 3.94   0.251% *  0.0793% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  16.54 +/- 1.90   0.365% *  0.0257% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  27.02 +/- 2.80   0.083% *  0.0257% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.343, support = 3.9, residual support = 7.88:
          HN    ALA   84 - HA    SER   82   4.25 +/- 0.17  48.907% * 52.8103% (0.20   5.31  10.17) =  64.111%  kept
          HD21  ASN   28 - HA    GLU-  25   4.80 +/- 0.22  34.207% * 42.1192% (0.61   1.37   3.78) =  35.763%  kept
          HN    ALA   84 - HA    GLU-  25  19.08 +/- 8.37   1.435% *  0.6139% (0.61   0.02   0.02) =   0.022%
          HD21  ASN   28 - HA    SER   82  17.13 +/-10.19   4.289% *  0.1989% (0.20   0.02   0.02) =   0.021%
          HE21  GLN   32 - HA    GLU-  25  10.93 +/- 1.52   3.437% *  0.2253% (0.22   0.02   0.02) =   0.019%
          HN    LEU   63 - HA    GLU-  25  21.35 +/- 3.26   0.674% *  1.0032% (0.99   0.02   0.02) =   0.017%
          HZ2   TRP   87 - HA    GLU-  25  20.08 +/- 8.89   1.345% *  0.4161% (0.41   0.02   0.02) =   0.014%
          HZ2   TRP   87 - HA    SER   82  10.68 +/- 0.85   3.425% *  0.1348% (0.13   0.02   0.02) =   0.011%
          HN    LYS+ 111 - HA    GLU-  25  28.10 +/- 4.25   0.481% *  0.6139% (0.61   0.02   0.02) =   0.007%
          HN    ILE   56 - HA    GLU-  25  25.95 +/- 3.49   0.298% *  0.9574% (0.95   0.02   0.02) =   0.007%
          HN    ILE   56 - HA    SER   82  23.38 +/- 3.02   0.335% *  0.3102% (0.31   0.02   0.02) =   0.003%
          HN    LEU   63 - HA    SER   82  24.02 +/- 1.77   0.283% *  0.3250% (0.32   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HA    SER   82  23.66 +/- 3.21   0.348% *  0.1989% (0.20   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    SER   82  25.69 +/- 9.15   0.536% *  0.0730% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.965, support = 1.13, residual support = 3.65:
          HB2   ASN   28 - HA    GLU-  25   3.46 +/- 0.50  68.648% * 79.9376% (0.99   1.14   3.78) =  96.536%  kept
          HB2   ASP-  86 - HA    SER   82   6.33 +/- 0.79  14.886% * 12.5387% (0.24   0.76   0.02) =   3.284%  kept
          QE    LYS+  33 - HA    GLU-  25  11.11 +/- 1.86   3.284% *  1.4081% (1.00   0.02   0.02) =   0.081%
          HB2   ASP-  86 - HA    GLU-  25  20.40 +/- 9.18   1.161% *  1.0247% (0.73   0.02   0.02) =   0.021%
          HB2   ASP-  78 - HA    SER   82  10.61 +/- 1.63   3.056% *  0.2773% (0.20   0.02   0.02) =   0.015%
          QE    LYS+  65 - HA    GLU-  25  20.03 +/- 3.06   0.572% *  1.3027% (0.92   0.02   0.02) =   0.013%
          HB2   ASN   28 - HA    SER   82  20.11 +/- 9.82   1.486% *  0.4531% (0.32   0.02   0.02) =   0.012%
          HB2   ASP-  78 - HA    GLU-  25  19.46 +/- 6.17   0.722% *  0.8559% (0.61   0.02   0.02) =   0.011%
          HB2   ASN   35 - HA    GLU-  25  15.79 +/- 1.28   0.865% *  0.5296% (0.38   0.02   0.02) =   0.008%
          HB2   ASP-  76 - HA    GLU-  25  16.66 +/- 5.86   1.173% *  0.2793% (0.20   0.02   0.02) =   0.006%
          QE    LYS+  65 - HA    SER   82  22.15 +/- 3.83   0.520% *  0.4220% (0.30   0.02   0.02) =   0.004%
          QE    LYS+  33 - HA    SER   82  23.62 +/- 6.01   0.456% *  0.4561% (0.32   0.02   0.02) =   0.004%
          HB2   ASP-  76 - HA    SER   82  11.79 +/- 0.91   2.170% *  0.0905% (0.06   0.02   0.02) =   0.003%
          HB2   ASN   69 - HA    GLU-  25  21.89 +/- 4.03   0.562% *  0.1910% (0.14   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    SER   82  27.45 +/- 6.68   0.263% *  0.1716% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  28.50 +/- 2.99   0.175% *  0.0619% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.32, support = 2.77, residual support = 10.1:
          QB    ALA   84 - HA    SER   82   4.52 +/- 0.16  42.955% * 79.0799% (0.32   2.80  10.17) =  98.927%  kept
          QB    ALA  124 - HA    GLU-  25  24.48 +/- 5.98   5.826% *  1.5245% (0.87   0.02   0.02) =   0.259%  kept
          HB3   LEU   80 - HA    SER   82   6.14 +/- 0.95  20.140% *  0.2771% (0.16   0.02   0.50) =   0.163%  kept
          QB    ALA   84 - HA    GLU-  25  17.08 +/- 6.16   1.721% *  1.7419% (0.99   0.02   0.02) =   0.087%
          HB2   LEU   31 - HA    GLU-  25   9.35 +/- 0.47   4.921% *  0.5995% (0.34   0.02   0.02) =   0.086%
          HB3   LEU   80 - HA    GLU-  25  16.75 +/- 9.54   3.444% *  0.8554% (0.49   0.02   0.02) =   0.086%
          HB3   LEU   73 - HA    GLU-  25  13.34 +/- 4.46   2.913% *  0.7225% (0.41   0.02   0.02) =   0.061%
          HG    LEU   98 - HA    GLU-  25  17.66 +/- 3.33   1.035% *  1.6625% (0.95   0.02   0.02) =   0.050%
          HG3   LYS+  33 - HA    GLU-  25  12.08 +/- 1.30   2.627% *  0.4886% (0.28   0.02   0.02) =   0.037%
          HG3   LYS+ 102 - HA    GLU-  25  19.33 +/- 5.72   1.333% *  0.7879% (0.45   0.02   0.02) =   0.031%
          HB2   LEU   63 - HA    GLU-  25  20.72 +/- 3.93   0.923% *  1.0659% (0.61   0.02   0.02) =   0.029%
          HB3   ASP-  44 - HA    GLU-  25  18.66 +/- 2.03   0.685% *  1.2762% (0.73   0.02   0.02) =   0.025%
          HG3   LYS+ 106 - HA    GLU-  25  21.07 +/- 4.16   0.586% *  1.1369% (0.65   0.02   0.02) =   0.019%
          HB3   PRO   93 - HA    GLU-  25  23.41 +/- 2.27   0.346% *  1.7535% (1.00   0.02   0.02) =   0.018%
          HB    VAL   42 - HA    GLU-  25  17.59 +/- 1.98   0.979% *  0.5995% (0.34   0.02   0.02) =   0.017%
          HG    LEU   98 - HA    SER   82  20.51 +/- 5.33   1.021% *  0.5385% (0.31   0.02   0.02) =   0.016%
          HB3   PRO   93 - HA    SER   82  18.09 +/- 1.55   0.741% *  0.5680% (0.32   0.02   0.02) =   0.012%
          HB2   LYS+ 112 - HA    GLU-  25  28.54 +/- 4.84   0.425% *  0.9246% (0.53   0.02   0.02) =   0.011%
          HG3   LYS+  65 - HA    GLU-  25  21.20 +/- 3.30   0.618% *  0.5995% (0.34   0.02   0.02) =   0.011%
          HB3   ASP-  44 - HA    SER   82  17.65 +/- 1.72   0.812% *  0.4134% (0.24   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - HA    SER   82  20.39 +/- 4.08   0.677% *  0.3683% (0.21   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    SER   82  18.00 +/- 3.09   0.931% *  0.2340% (0.13   0.02   0.02) =   0.006%
          HB2   LEU   31 - HA    SER   82  21.42 +/- 8.29   1.021% *  0.1942% (0.11   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HA    SER   82  23.41 +/- 6.23   0.715% *  0.2552% (0.15   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HA    GLU-  25  30.16 +/- 4.32   0.244% *  0.4886% (0.28   0.02   0.02) =   0.003%
          HB2   LEU   63 - HA    SER   82  23.67 +/- 2.38   0.336% *  0.3453% (0.20   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    SER   82  21.48 +/- 2.61   0.484% *  0.1942% (0.11   0.02   0.02) =   0.003%
          QB    ALA  124 - HA    SER   82  30.08 +/- 3.68   0.190% *  0.4938% (0.28   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HA    SER   82  25.62 +/- 2.80   0.270% *  0.2995% (0.17   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    SER   82  24.11 +/- 3.72   0.362% *  0.1942% (0.11   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    SER   82  25.30 +/- 6.42   0.421% *  0.1583% (0.09   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  25.38 +/- 3.32   0.299% *  0.1583% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.69 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.599, support = 0.02, residual support = 0.02:
          HB2   LEU  104 - HA    GLU-  25  20.16 +/- 4.02  13.839% * 19.8967% (0.80   0.02   0.02) =  26.153%  kept
          QG2   VAL  108 - HA    GLU-  25  20.52 +/- 3.51  10.382% * 22.9376% (0.92   0.02   0.02) =  22.618%  kept
          QG2   VAL  108 - HA    SER   82  16.66 +/- 3.63  21.114% *  7.4304% (0.30   0.02   0.02) =  14.901%  kept
          QD1   ILE  119 - HA    GLU-  25  20.75 +/- 4.16  10.334% * 12.0948% (0.49   0.02   0.02) =  11.872%  kept
          HG3   LYS+ 112 - HA    GLU-  25  27.86 +/- 4.53   4.802% * 15.0711% (0.61   0.02   0.02) =   6.874%  kept
          HG    LEU   63 - HA    GLU-  25  20.97 +/- 4.37  12.759% *  5.5320% (0.22   0.02   0.02) =   6.704%  kept
          HB2   LEU  104 - HA    SER   82  23.82 +/- 4.16   7.140% *  6.4453% (0.26   0.02   0.02) =   4.371%  kept
          QD1   ILE  119 - HA    SER   82  22.53 +/- 2.11   7.574% *  3.9180% (0.16   0.02   0.02) =   2.819%  kept
          HG3   LYS+ 112 - HA    SER   82  24.58 +/- 2.98   5.577% *  4.8821% (0.20   0.02   0.02) =   2.586%  kept
          HG    LEU   63 - HA    SER   82  24.36 +/- 2.48   6.480% *  1.7920% (0.07   0.02   0.02) =   1.103%  kept
    Distance limit 4.04 A violated in 20 structures by 8.40 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.281, support = 3.11, residual support = 21.9:
          HB2   GLU-  25 - HA    THR   26   4.07 +/- 0.21  27.319% * 79.0863% (0.31   4.07  31.79) =  68.043%  kept
          HB2   GLU-  29 - HA    THR   26   2.82 +/- 0.64  67.003% * 15.0825% (0.22   1.08   0.77) =  31.827%  kept
          QG    GLN   17 - HA    THR   26  13.11 +/- 3.67   3.082% *  0.5174% (0.41   0.02   0.02) =   0.050%
          HG2   GLU- 100 - HA    THR   26  18.59 +/- 3.51   0.765% *  1.1906% (0.95   0.02   0.02) =   0.029%
          HB2   ASP- 105 - HA    THR   26  21.98 +/- 3.67   0.585% *  0.8646% (0.69   0.02   0.02) =   0.016%
          HB3   ASP-  76 - HA    THR   26  17.34 +/- 5.15   0.407% *  1.1288% (0.90   0.02   0.02) =   0.014%
          HB2   MET   96 - HA    THR   26  17.47 +/- 2.90   0.333% *  1.1288% (0.90   0.02   0.02) =   0.012%
          HB    VAL   70 - HA    THR   26  17.23 +/- 2.21   0.381% *  0.6126% (0.49   0.02   0.02) =   0.007%
          HG3   MET   92 - HA    THR   26  25.90 +/- 2.82   0.125% *  0.3885% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.91, residual support = 34.8:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.02  98.853% * 99.6670% (0.34  10.0   4.91  34.82) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.63 +/- 2.29   0.803% *  0.2233% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HA    THR   26  28.23 +/- 4.83   0.344% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.562, support = 1.27, residual support = 3.72:
          HN    GLN   30 - HA    THR   26   4.39 +/- 0.58  28.148% * 80.6584% (0.69   1.46   4.85) =  72.498%  kept
          HN    GLU-  29 - HA    THR   26   3.28 +/- 0.14  60.237% * 14.0036% (0.22   0.78   0.77) =  26.935%  kept
          HN    GLU-  14 - HA    THR   26  14.72 +/- 4.57   9.010% *  1.5765% (0.98   0.02   0.02) =   0.454%  kept
          HE1   HIS  122 - HA    THR   26  21.94 +/- 5.70   1.698% *  1.4424% (0.90   0.02   0.02) =   0.078%
          HN    LYS+  99 - HA    THR   26  17.89 +/- 2.87   0.576% *  1.3434% (0.84   0.02   0.02) =   0.025%
          HN    ASP-  86 - HA    THR   26  22.86 +/- 8.14   0.331% *  0.9755% (0.61   0.02   0.02) =   0.010%
    Distance limit 3.88 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 = 0.456, support = 2.33, residual support = 11.7:
          HN    THR   23 - HB    THR   26   3.87 +/- 0.15  65.629% * 72.9457% (0.38   2.64  13.51) =  86.877%  kept
          HD2   HIS   22 - HB    THR   26   6.21 +/- 1.89  31.381% * 22.9504% (0.99   0.31   0.02) =  13.070%  kept
          HD21  ASN   35 - HB    THR   26  15.92 +/- 1.25   0.992% *  1.0128% (0.69   0.02   0.02) =   0.018%
          HN    LEU   67 - HB    THR   26  18.25 +/- 3.15   0.885% *  1.1268% (0.76   0.02   0.02) =   0.018%
          HD1   TRP   49 - HB    THR   26  23.62 +/- 4.14   0.384% *  1.4614% (0.99   0.02   0.02) =   0.010%
          QE    PHE   95 - HB    THR   26  19.22 +/- 3.27   0.729% *  0.5029% (0.34   0.02   0.02) =   0.007%
    Distance limit 3.78 A violated in 0 structures by 0.09 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   3.08 +/- 0.18  95.343% * 98.0840% (0.84   4.45  22.64) =  99.986%  kept
          HN    THR   39 - HB    THR   26  16.02 +/- 2.14   0.966% *  0.4730% (0.90   0.02   0.02) =   0.005%
          HN    GLU-  36 - HB    THR   26  14.80 +/- 1.17   0.961% *  0.2567% (0.49   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB    THR   26  21.32 +/- 7.21   0.533% *  0.4575% (0.87   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB    THR   26  19.56 +/- 3.98   1.120% *  0.1628% (0.31   0.02   0.02) =   0.002%
          HN    ALA   61 - HB    THR   26  19.39 +/- 2.53   0.507% *  0.2168% (0.41   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  24.37 +/- 4.26   0.235% *  0.2567% (0.49   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    THR   26  24.06 +/- 6.94   0.336% *  0.0924% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 34.8:
      O   HN    THR   26 - HB    THR   26   2.14 +/- 0.11  99.696% * 99.9615% (0.80  10.0   4.16  34.82) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.69 +/- 2.20   0.304% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.564, support = 0.562, residual support = 1.13:
          HA    ALA   20 - QG2   THR   26   5.76 +/- 1.46  27.138% * 71.8477% (0.87   0.42   0.12) =  55.927%  kept
          HA    CYS   21 - QG2   THR   26   3.63 +/- 1.47  58.782% * 25.7862% (0.18   0.75   2.45) =  43.476%  kept
          HA    LYS+ 102 - QG2   THR   26  15.20 +/- 3.49  10.629% *  1.7603% (0.45   0.02   0.02) =   0.537%  kept
          HA    LEU   71 - QG2   THR   26  11.02 +/- 2.86   3.451% *  0.6058% (0.15   0.02   0.02) =   0.060%
    Distance limit 3.53 A violated in 1 structures by 0.30 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.845, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  10.12 +/- 3.07  36.160% * 18.7520% (0.92   0.02   0.02) =  46.903%  kept
          HG2   MET   11 - QG2   THR   26  14.30 +/- 3.19  17.521% * 19.2160% (0.95   0.02   0.02) =  23.289%  kept
          HG2   PRO   58 - QG2   THR   26  20.06 +/- 3.55   8.431% * 17.6208% (0.87   0.02   0.02) =  10.276%  kept
          HB2   PRO   93 - QG2   THR   26  18.59 +/- 2.18   8.038% * 12.3210% (0.61   0.02   0.02) =   6.851%  kept
          HG3   PRO   52 - QG2   THR   26  22.19 +/- 3.00   4.054% * 17.6208% (0.87   0.02   0.02) =   4.942%  kept
          HB    VAL  108 - QG2   THR   26  20.69 +/- 2.63   7.964% *  5.0653% (0.25   0.02   0.02) =   2.791%  kept
          HB2   PRO   68 - QG2   THR   26  16.22 +/- 3.22  12.836% *  3.1343% (0.15   0.02   0.02) =   2.783%  kept
          HB2   ARG+  54 - QG2   THR   26  21.50 +/- 4.00   4.995% *  6.2698% (0.31   0.02   0.02) =   2.166%  kept
    Distance limit 3.53 A violated in 19 structures by 5.42 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 = 4.84:
        T HG2   GLN   30 - QG2   THR   26   3.03 +/- 0.64  79.887% * 96.7915% (0.99 10.00   0.75   4.85) =  99.678%  kept
          HB3   ASN   28 - QG2   THR   26   7.19 +/- 0.18   8.055% *  2.9781% (0.97  1.00   0.24   0.42) =   0.309%  kept
          HB3   HIS  122 - QG2   THR   26  16.99 +/- 4.32  10.945% *  0.0724% (0.28  1.00   0.02   0.02) =   0.010%
          QE    LYS+ 121 - QG2   THR   26  18.07 +/- 3.95   1.113% *  0.1579% (0.61  1.00   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.924, support = 3.37, residual support = 13.1:
          QD1   LEU   73 - HB3   TRP   27   4.92 +/- 4.02  31.794% * 51.5537% (1.00   3.55  17.39) =  61.010%  kept
          QD2   LEU   80 - HB3   TRP   27   9.66 +/- 8.18  24.480% * 39.0180% (0.80   3.36   6.92) =  35.552%  kept
          QD2   LEU  115 - HB3   TRP   27  15.83 +/- 4.22  10.067% *  4.5468% (0.84   0.38   0.02) =   1.704%  kept
          QD1   LEU   63 - HB3   TRP   27  11.87 +/- 3.91  11.129% *  3.1989% (1.00   0.22   0.02) =   1.325%  kept
          QD1   LEU  104 - HB3   TRP   27  13.29 +/- 4.51  10.086% *  0.6349% (0.57   0.08   0.02) =   0.238%  kept
          QG1   VAL   83 - HB3   TRP   27  11.86 +/- 7.21   3.539% *  0.8833% (0.18   0.35   0.02) =   0.116%  kept
          QD2   LEU   63 - HB3   TRP   27  11.95 +/- 3.65   8.905% *  0.1643% (0.57   0.02   0.02) =   0.054%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 23.7:
        T HA    VAL   24 - HB3   TRP   27   3.56 +/- 0.36  91.934% * 98.5200% (0.76 10.00   3.00  23.72) =  99.972%  kept
        T HA    LYS+  38 - HB3   TRP   27  15.22 +/- 1.67   1.500% *  1.2636% (0.98 10.00   0.02   0.02) =   0.021%
        T HA    GLU- 100 - HB3   TRP   27  15.74 +/- 3.26   3.059% *  0.1989% (0.15 10.00   0.02   0.02) =   0.007%
          HA    VAL   83 - HB3   TRP   27  16.28 +/- 8.36   3.508% *  0.0174% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 23.7:
          HA    VAL   24 - HB2   TRP   27   2.09 +/- 0.24  98.957% * 99.1878% (0.97   3.00  23.72) =  99.997%  kept
          HA    LYS+  38 - HB2   TRP   27  16.12 +/- 1.46   0.274% *  0.5487% (0.80   0.02   0.02) =   0.002%
          HD2   PRO   68 - HB2   TRP   27  17.99 +/- 3.37   0.360% *  0.1709% (0.25   0.02   0.02) =   0.001%
          HA    ALA   61 - HB2   TRP   27  15.62 +/- 2.61   0.409% *  0.0927% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2422 (0.59, 3.56, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.939, support = 3.33, residual support = 11.4:
          QD2   LEU   80 - HB2   TRP   27   9.54 +/- 8.54  29.895% * 44.8785% (0.98   3.32   6.92) =  50.994%  kept
          QD1   LEU   73 - HB2   TRP   27   5.95 +/- 4.13  26.628% * 44.4881% (0.90   3.60  17.39) =  45.026%  kept
          QD2   LEU  115 - HB2   TRP   27  16.80 +/- 4.41  10.070% *  5.1318% (0.99   0.38   0.02) =   1.964%  kept
          QD1   LEU   63 - HB2   TRP   27  12.95 +/- 4.18  13.022% *  2.7260% (0.90   0.22   0.02) =   1.349%  kept
          QD1   LEU  104 - HB2   TRP   27  14.14 +/- 4.54  10.112% *  0.8900% (0.84   0.08   0.02) =   0.342%  kept
          QG1   VAL   83 - HB2   TRP   27  11.88 +/- 7.53   4.477% *  1.8005% (0.38   0.35   0.02) =   0.306%  kept
          QD2   LEU   63 - HB2   TRP   27  13.12 +/- 3.80   5.795% *  0.0851% (0.31   0.02   0.02) =   0.019%
    Distance limit 3.80 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 = 3.13, residual support = 19.5:
          QD1   LEU   31 - HA    ASN   28   3.42 +/- 0.77 100.000% *100.0000% (0.76   3.13  19.46) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.2, residual support = 92.1:
      O T HA    GLU-  29 - HG3   GLU-  29   3.50 +/- 0.35  84.083% * 97.0747% (0.22  10.0 10.00   5.21  92.21) =  99.860%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.07 +/- 1.26   6.312% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.115%  kept
          HB2   SER   37 - HG3   GLU-  29  14.12 +/- 2.16   1.849% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.010%
          HA1   GLY   16 - HG3   GLU-  29  18.00 +/- 4.15   1.827% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          HA    VAL   18 - HG3   GLU-  29  14.58 +/- 3.15   3.490% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   70 - HG3   GLU-  29  17.85 +/- 2.18   0.798% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN  116 - HG3   GLU-  29  27.31 +/- 4.83   0.404% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   GLU-  29  21.40 +/-10.08   1.237% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 106.7:
      O   HD1   TRP   27 - HB2   TRP   27   2.73 +/- 0.16  89.247% * 99.7286% (0.98  10.0   3.65 106.70) =  99.989%  kept
          HE21  GLN   30 - HB2   TRP   27   7.44 +/- 1.79   9.456% *  0.0939% (0.92   1.0   0.02   0.02) =   0.010%
          QD    PHE   59 - HB2   TRP   27  16.31 +/- 3.31   1.004% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  22.73 +/- 3.43   0.293% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.37, residual support = 106.7:
      O   HN    TRP   27 - HB2   TRP   27   2.09 +/- 0.10  97.649% * 99.5184% (0.76  10.0   5.37 106.70) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  17.48 +/- 7.50   0.555% *  0.1202% (0.92   1.0   0.02   5.62) =   0.001%
          HN    THR   39 - HB2   TRP   27  14.99 +/- 1.28   0.295% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  16.90 +/- 3.96   0.486% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.33 +/- 0.53   0.314% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  16.90 +/- 2.94   0.302% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  20.79 +/- 4.23   0.141% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  20.27 +/- 7.07   0.259% *  0.0176% (0.14   1.0   0.02   5.62) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.909, support = 5.53, residual support = 49.5:
          HN    ASN   28 - HB2   TRP   27   3.08 +/- 0.31  75.727% * 93.6319% (0.92   5.59  50.38) =  98.189%  kept
          HN    GLU-  25 - HB2   TRP   27   4.74 +/- 0.36  21.695% *  6.0139% (0.15   2.15   0.59) =   1.807%  kept
          HN    ASN   69 - HB2   TRP   27  17.44 +/- 3.21   0.645% *  0.2907% (0.80   0.02   0.02) =   0.003%
          HN    ASP-  44 - HB2   TRP   27  11.72 +/- 2.59   1.933% *  0.0636% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.772, support = 4.42, residual support = 102.7:
      O   HE3   TRP   27 - HB3   TRP   27   2.61 +/- 0.17  74.076% * 86.5062% (0.76  10.0   4.50 106.70) =  96.212%  kept
          HN    THR   23 - HB3   TRP   27   4.85 +/- 0.92  19.169% * 13.1455% (0.98   1.0   2.37   1.30) =   3.783%  kept
          HD2   HIS   22 - HB3   TRP   27   7.89 +/- 1.71   4.785% *  0.0252% (0.22   1.0   0.02   0.02) =   0.002%
          QE    PHE   95 - HB3   TRP   27  15.37 +/- 2.23   0.750% *  0.1122% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  15.03 +/- 2.78   0.761% *  0.0778% (0.69   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB3   TRP   27  20.58 +/- 3.49   0.247% *  0.0945% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  20.46 +/- 3.57   0.213% *  0.0386% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 106.7:
      O   HD1   TRP   27 - HB3   TRP   27   3.79 +/- 0.09  66.240% * 99.7286% (0.98  10.0   4.08 106.70) =  99.952%  kept
          HE21  GLN   30 - HB3   TRP   27   6.25 +/- 1.98  31.334% *  0.0939% (0.92   1.0   0.02   0.02) =   0.045%
          QD    PHE   59 - HB3   TRP   27  15.16 +/- 3.18   1.839% *  0.0997% (0.98   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HB3   TRP   27  22.06 +/- 3.32   0.587% *  0.0778% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 106.7:
      O   HN    TRP   27 - HB3   TRP   27   3.07 +/- 0.25  90.887% * 99.5184% (0.76  10.0   5.64 106.70) =  99.993%  kept
          HN    THR   39 - HB3   TRP   27  13.95 +/- 1.50   1.199% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB3   TRP   27  17.29 +/- 7.26   1.188% *  0.1202% (0.92   1.0   0.02   5.62) =   0.002%
          HN    LYS+ 102 - HB3   TRP   27  16.23 +/- 3.84   2.887% *  0.0489% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB3   TRP   27  13.74 +/- 0.77   1.149% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   TRP   27  15.62 +/- 2.87   1.722% *  0.0444% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   TRP   27  20.38 +/- 4.06   0.378% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  20.01 +/- 6.86   0.589% *  0.0176% (0.14   1.0   0.02   5.62) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 6.06, residual support = 50.4:
          HN    ASN   28 - HB3   TRP   27   4.14 +/- 0.10  97.495% * 99.4971% (0.65   6.06  50.38) =  99.987%  kept
          HN    ASN   69 - HB3   TRP   27  16.10 +/- 2.95   2.505% *  0.5029% (0.99   0.02   0.02) =   0.013%
    Distance limit 3.84 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 4.3, residual support = 19.5:
          HN    LEU   31 - HA    ASN   28   3.44 +/- 0.15  94.883% * 95.9118% (0.22   4.30  19.46) =  99.942%  kept
          HN    LYS+  38 - HA    ASN   28  13.00 +/- 0.88   1.857% *  1.9644% (0.98   0.02   0.02) =   0.040%
          HN    SER   37 - HA    ASN   28  12.42 +/- 0.53   2.081% *  0.3510% (0.18   0.02   0.02) =   0.008%
          HN    ASP-  62 - HA    ASN   28  19.46 +/- 2.89   0.830% *  0.5572% (0.28   0.02   0.02) =   0.005%
          HN    ARG+  54 - HA    ASN   28  24.58 +/- 2.84   0.349% *  1.2156% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.13 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 = 0.191, support = 6.61, residual support = 17.6:
          HN    GLN   30 - HA    ASN   28   3.87 +/- 0.12  78.112% * 77.4083% (0.18   6.81  18.12) =  96.908%  kept
          HN    GLU-  14 - HA    ASN   28  17.05 +/- 4.75   9.186% * 19.9769% (0.73   0.42   0.02) =   2.941%  kept
          HN    LYS+  99 - HA    ASN   28  13.63 +/- 3.31   3.552% *  1.1990% (0.92   0.02   0.02) =   0.068%
          HE1   HIS  122 - HA    ASN   28  19.16 +/- 5.42   2.994% *  1.1267% (0.87   0.02   0.02) =   0.054%
          HN    ASN   35 - HA    ASN   28   9.34 +/- 0.69   6.156% *  0.2892% (0.22   0.02   0.02) =   0.029%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.96, residual support = 105.6:
      O   HN    ASN   28 - HB2   ASN   28   2.47 +/- 0.17  98.561% * 99.7686% (0.65  10.0   6.96 105.59) =  99.999%  kept
          HN    ASN   69 - HB2   ASN   28  19.87 +/- 3.59   0.304% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  13.10 +/- 1.02   0.739% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.38 +/- 2.57   0.397% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.12, residual support = 105.6:
      O   HD22  ASN   28 - HB3   ASN   28   3.37 +/- 0.19  98.626% * 99.9746% (0.98  10.0   4.12 105.59) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  14.72 +/- 1.66   1.374% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.5, residual support = 105.6:
      O   HD21  ASN   28 - HB3   ASN   28   4.00 +/- 0.12  92.703% * 99.7595% (0.87  10.0   3.50 105.59) =  99.993%  kept
          HZ2   TRP   87 - HB3   ASN   28  18.63 +/- 9.73   3.925% *  0.1127% (0.98   1.0   0.02   0.02) =   0.005%
          QE    PHE   60 - HB3   ASN   28  17.40 +/- 3.07   1.852% *  0.0790% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - HB3   ASN   28  20.74 +/- 2.93   1.063% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  25.86 +/- 3.11   0.457% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.44 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.615, support = 5.31, residual support = 27.1:
          HN    GLU-  29 - HB3   ASN   28   3.46 +/- 0.21  62.701% * 35.5083% (0.45   5.79  32.71) =  64.277%  kept
          HN    GLN   30 - HB3   ASN   28   5.09 +/- 0.15  19.741% * 59.2697% (0.92   4.69  18.12) =  33.780%  kept
          HN    GLU-  14 - HB3   ASN   28  17.88 +/- 5.68  14.334% *  4.6527% (0.80   0.42   0.02) =   1.925%  kept
          HN    ASP-  86 - HB3   ASN   28  20.64 +/- 9.38   0.933% *  0.2373% (0.87   0.02   0.02) =   0.006%
          HN    LYS+  99 - HB3   ASN   28  15.31 +/- 3.33   1.252% *  0.1549% (0.57   0.02   0.02) =   0.006%
          HE1   HIS  122 - HB3   ASN   28  21.43 +/- 5.65   1.038% *  0.1770% (0.65   0.02   0.02) =   0.005%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.56, residual support = 105.6:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.02  87.112% * 99.8777% (0.92  10.0   6.56 105.59) =  99.997%  kept
          HN    GLU-  25 - HB3   ASN   28   7.12 +/- 0.31  10.912% *  0.0167% (0.15   1.0   0.02   3.78) =   0.002%
          HN    ASN   69 - HB3   ASN   28  19.85 +/- 3.63   0.832% *  0.0866% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  15.85 +/- 2.56   1.144% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.377, support = 4.47, residual support = 18.0:
          HN    GLN   30 - HB2   ASN   28   4.62 +/- 0.23  58.162% * 95.0629% (0.38   4.49  18.12) =  99.469%  kept
          HN    GLU-  14 - HB2   ASN   28  17.19 +/- 5.46  18.169% *  1.0668% (0.95   0.02   0.02) =   0.349%  kept
          HN    LYS+  99 - HB2   ASN   28  16.22 +/- 3.12   2.193% *  1.1252% (1.00   0.02   0.02) =   0.044%
          HN    LYS+  99 - HB2   ASN   35  11.04 +/- 2.65   6.752% *  0.3500% (0.31   0.02   0.02) =   0.043%
          HE1   HIS  122 - HB2   ASN   28  21.67 +/- 5.70   1.948% *  1.1252% (1.00   0.02   0.02) =   0.039%
          HN    GLU-  14 - HB2   ASN   35  17.85 +/- 5.64   4.017% *  0.3318% (0.29   0.02   0.02) =   0.024%
          HN    GLN   30 - HB2   ASN   35  10.35 +/- 0.77   5.326% *  0.1317% (0.12   0.02   0.02) =   0.013%
          HN    ASP-  86 - HB2   ASN   28  20.82 +/- 9.06   1.718% *  0.3481% (0.31   0.02   0.02) =   0.011%
          HE1   HIS  122 - HB2   ASN   35  19.93 +/- 5.32   1.239% *  0.3500% (0.31   0.02   0.02) =   0.008%
          HN    ASP-  86 - HB2   ASN   35  26.80 +/- 6.88   0.476% *  0.1083% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 3 structures by 1.18 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.86, residual support = 105.6:
      O   HD21  ASN   28 - HB2   ASN   28   3.91 +/- 0.23  90.538% * 99.5979% (0.61  10.0   3.86 105.59) =  99.991%  kept
          HZ2   TRP   87 - HB2   ASN   28  19.10 +/- 9.36   2.805% *  0.1315% (0.80   1.0   0.02   0.02) =   0.004%
          QE    PHE   60 - HB2   ASN   28  17.36 +/- 3.09   1.658% *  0.1516% (0.92   1.0   0.02   0.02) =   0.003%
          QE    PHE   60 - HB2   ASN   35  18.88 +/- 3.44   1.480% *  0.0472% (0.29   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   ASN   35  14.12 +/- 1.28   2.228% *  0.0310% (0.19   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB2   ASN   35  22.46 +/- 8.43   1.291% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.487, support = 6.35, residual support = 26.0:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.03  57.507% * 95.8346% (0.49  10.0   6.40  26.20) =  99.286%  kept
          HN    GLU-  14 - HA    GLU-  29  15.49 +/- 5.75  15.227% *  1.7882% (0.99   1.0   0.18   0.02) =   0.491%  kept
          HN    GLN   30 - HA    LYS+  33   7.32 +/- 0.55   6.667% *  0.9857% (0.13   1.0   0.75   0.52) =   0.118%  kept
          HN    GLN   30 - HA    GLN   32   6.74 +/- 0.19   7.980% *  0.5960% (0.11   1.0   0.56   1.74) =   0.086%
          HE1   HIS  122 - HA    GLU-  29  21.39 +/- 5.99   2.332% *  0.1951% (0.99   1.0   0.02   0.02) =   0.008%
          HN    LYS+  99 - HA    GLU-  29  15.21 +/- 2.67   0.979% *  0.1900% (0.96   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    GLN   32  11.77 +/- 2.96   2.457% *  0.0426% (0.22   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LYS+  33  14.99 +/- 4.99   1.767% *  0.0535% (0.27   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    GLN   32  17.02 +/- 5.65   1.584% *  0.0437% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  13.24 +/- 1.48   1.183% *  0.0521% (0.26   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  19.90 +/- 5.52   0.776% *  0.0437% (0.22   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  23.62 +/- 8.27   0.412% *  0.0809% (0.41   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  20.41 +/- 5.47   0.553% *  0.0535% (0.27   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  24.41 +/- 7.87   0.367% *  0.0181% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  26.72 +/- 6.58   0.211% *  0.0222% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.512, support = 5.66, residual support = 78.4:
      O   HN    GLU-  29 - HB2   GLU-  29   2.33 +/- 0.30  67.357% * 57.7417% (0.41  10.0   5.42  92.21) =  79.131%  kept
          HN    GLN   30 - HB2   GLU-  29   3.38 +/- 0.33  24.724% * 41.4021% (0.90   1.0   6.57  26.20) =  20.827%  kept
          HN    GLU-  14 - HB2   GLU-  29  14.79 +/- 5.04   2.848% *  0.5573% (0.84   1.0   0.10   0.02) =   0.032%
          HE1   HIS  122 - HB2   GLU-  29  21.77 +/- 6.30   4.712% *  0.0965% (0.69   1.0   0.02   0.02) =   0.009%
          HN    LYS+  99 - HB2   GLU-  29  16.73 +/- 2.46   0.237% *  0.0852% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  23.63 +/- 8.05   0.122% *  0.1173% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.546, support = 4.98, residual support = 73.9:
      O   HN    GLU-  29 - HB3   GLU-  29   3.43 +/- 0.26  46.223% * 63.1505% (0.41  10.0   4.91  92.21) =  72.262%  kept
          HN    GLN   30 - HB3   GLU-  29   3.92 +/- 0.26  31.277% * 35.6085% (0.90   1.0   5.17  26.20) =  27.571%  kept
          HN    GLU-  14 - HB3   GLU-  29  14.38 +/- 5.45   8.161% *  0.7107% (0.84   1.0   0.11   0.02) =   0.144%  kept
          HE1   HIS  122 - HB3   GLU-  29  21.98 +/- 6.26   5.452% *  0.1055% (0.69   1.0   0.02   0.02) =   0.014%
          HN    GLN   30 - QB    GLU-  36   9.28 +/- 0.63   2.484% *  0.0427% (0.28   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - QB    GLU-  36  13.83 +/- 5.01   1.895% *  0.0397% (0.26   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLU-  29  16.62 +/- 2.39   0.544% *  0.0932% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - QB    GLU-  36  12.49 +/- 1.56   1.205% *  0.0289% (0.19   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  10.54 +/- 0.83   1.725% *  0.0196% (0.13   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  29  24.81 +/- 7.88   0.242% *  0.1283% (0.84   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  19.03 +/- 5.05   0.633% *  0.0327% (0.21   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - QB    GLU-  36  25.87 +/- 5.22   0.158% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.935, support = 4.39, residual support = 91.9:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.79 +/- 0.20  39.277% * 95.1378% (0.99  10.0 10.00   4.40  92.21) =  94.133%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.42 +/- 0.15  57.765% *  4.0244% (0.04  10.0 10.00   4.28  86.32) =   5.856%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.76 +/- 1.38   1.030% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   GLU-  36 - HB3   GLU-  29  10.78 +/- 1.51   0.737% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HB3   GLU-  29  23.95 +/- 8.35   0.126% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  23.63 +/- 2.80   0.088% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  22.28 +/- 2.81   0.085% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  26.73 +/- 4.88   0.082% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.71 +/- 2.52   0.143% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  24.71 +/- 5.76   0.085% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  22.24 +/- 2.25   0.085% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.59 +/- 2.66   0.084% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.29 +/- 1.56   0.181% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.70 +/- 1.34   0.073% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  25.07 +/- 3.40   0.069% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  21.69 +/- 1.85   0.092% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 0.525, residual support = 0.524:
          QD    LYS+  33 - HA    GLN   30   3.78 +/- 0.42  95.122% * 88.9887% (0.95   0.53   0.52) =  99.883%  kept
          QB    ALA   57 - HA    GLN   30  19.44 +/- 3.51   1.349% *  2.4594% (0.69   0.02   0.02) =   0.039%
          HD2   LYS+  74 - HA    GLN   30  15.23 +/- 2.72   2.121% *  1.3438% (0.38   0.02   0.02) =   0.034%
          HB3   LEU  123 - HA    GLN   30  23.58 +/- 4.34   0.742% *  3.3869% (0.95   0.02   0.02) =   0.030%
          HD3   LYS+ 111 - HA    GLN   30  29.62 +/- 3.58   0.294% *  2.5999% (0.73   0.02   0.02) =   0.009%
          HG3   ARG+  54 - HA    GLN   30  26.93 +/- 4.62   0.373% *  1.2213% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.86 A violated in 0 structures by 0.12 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.453, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HA    GLN   30  19.72 +/- 3.63   9.375% * 48.0646% (0.90   0.02   0.02) =  30.269%  kept
          QD1   LEU   71 - HA    GLN   30   9.30 +/- 2.93  49.360% *  8.2693% (0.15   0.02   0.02) =  27.419%  kept
          HB3   LEU  104 - HA    GLN   30  15.58 +/- 3.43  17.064% * 22.0331% (0.41   0.02   0.02) =  25.256%  kept
          HG3   LYS+ 121 - HA    GLN   30  20.69 +/- 4.94  10.558% * 13.3638% (0.25   0.02   0.02) =   9.478%  kept
          QD1   LEU  123 - HA    GLN   30  18.21 +/- 3.68  13.643% *  8.2693% (0.15   0.02   0.02) =   7.579%  kept
    Distance limit 4.08 A violated in 18 structures by 4.54 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 6.37, residual support = 156.4:
      O   HN    GLN   30 - HA    GLN   30   2.81 +/- 0.02  77.987% * 88.2692% (0.98  10.0   6.41 159.29) =  97.869%  kept
          HN    GLU-  29 - HA    GLN   30   5.12 +/- 0.11  12.996% * 11.4960% (0.57   1.0   4.51  26.20) =   2.124%  kept
          HE1   HIS  122 - HA    GLN   30  18.29 +/- 5.72   6.084% *  0.0474% (0.53   1.0   0.02   0.02) =   0.004%
          HN    GLU-  14 - HA    GLN   30  13.34 +/- 4.07   1.670% *  0.0619% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLN   30  13.44 +/- 2.12   1.020% *  0.0404% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   30  23.50 +/- 6.94   0.243% *  0.0852% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 6.39, residual support = 156.9:
      O   HN    GLN   30 - HB2   GLN   30   2.92 +/- 0.66  75.517% * 89.5623% (0.98  10.0   6.43 159.29) =  98.214%  kept
          HN    GLU-  29 - HB2   GLN   30   5.45 +/- 0.72  11.995% * 10.1995% (0.57   1.0   3.94  26.20) =   1.777%  kept
          HE1   HIS  122 - HB2   GLN   30  16.79 +/- 5.13   7.051% *  0.0481% (0.53   1.0   0.02   0.02) =   0.005%
          HN    LYS+  99 - HB2   GLN   30  12.73 +/- 2.45   3.185% *  0.0410% (0.45   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB2   GLN   30  14.01 +/- 3.55   1.885% *  0.0628% (0.69   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HB2   GLN   30  21.46 +/- 6.94   0.367% *  0.0864% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 6.96, residual support = 158.0:
      O   HN    GLN   30 - HB3   GLN   30   2.65 +/- 0.54  82.292% * 93.1477% (0.65  10.0   6.98 159.29) =  99.055%  kept
          HN    GLU-  29 - HB3   GLN   30   5.14 +/- 0.70  11.355% *  6.3702% (0.20   1.0   4.47  26.20) =   0.935%  kept
          HE1   HIS  122 - HB3   GLN   30  16.88 +/- 5.46   2.607% *  0.1329% (0.92   1.0   0.02   0.02) =   0.004%
          HN    LYS+  99 - HB3   GLN   30  12.69 +/- 2.58   2.133% *  0.1249% (0.87   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HB3   GLN   30  14.05 +/- 3.41   1.128% *  0.1427% (0.99   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HB3   GLN   30  21.24 +/- 6.91   0.485% *  0.0815% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.626, support = 7.27, residual support = 153.2:
          HN    GLN   30 - HG2   GLN   30   3.27 +/- 0.48  72.681% * 82.3924% (0.65   7.39 159.29) =  95.434%  kept
          HN    GLU-  29 - HG2   GLN   30   5.31 +/- 0.64  17.221% * 16.4530% (0.20   4.82  26.20) =   4.515%  kept
          HE1   HIS  122 - HG2   GLN   30  17.93 +/- 5.60   6.500% *  0.3184% (0.92   0.02   0.02) =   0.033%
          HN    GLU-  14 - HG2   GLN   30  12.80 +/- 3.39   1.967% *  0.3418% (0.99   0.02   0.02) =   0.011%
          HN    LYS+  99 - HG2   GLN   30  14.58 +/- 2.45   1.159% *  0.2992% (0.87   0.02   0.02) =   0.006%
          HN    ASP-  86 - HG2   GLN   30  22.61 +/- 6.90   0.472% *  0.1953% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.08, residual support = 158.3:
      O   HE21  GLN   30 - HG2   GLN   30   3.86 +/- 0.21  85.294% * 95.8110% (0.87  10.0   4.10 159.29) =  99.401%  kept
          HD1   TRP   27 - HG2   GLN   30   7.71 +/- 0.98  12.235% *  4.0029% (1.00   1.0   0.73   0.02) =   0.596%  kept
          QD    PHE   59 - HG2   GLN   30  16.76 +/- 3.03   2.066% *  0.1102% (1.00   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HG2   GLN   30  25.70 +/- 3.52   0.405% *  0.0759% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.17, residual support = 159.0:
      O   HE21  GLN   30 - HG3   GLN   30   4.00 +/- 0.21  58.893% * 98.4768% (0.87  10.0   3.18 159.29) =  99.823%  kept
          HD1   TRP   27 - HG3   GLN   30   8.15 +/- 0.76   7.945% *  1.2195% (1.00   1.0   0.22   0.02) =   0.167%  kept
          QD    PHE   59 - HG3   GLN   30  16.57 +/- 3.18   2.046% *  0.1133% (1.00   1.0   0.02   0.02) =   0.004%
          QD    PHE   59 - HB2   LYS+ 111   9.41 +/- 1.67   6.346% *  0.0228% (0.20   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   PRO   93   8.15 +/- 1.57  10.122% *  0.0088% (0.08   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HB2   PRO   93   9.61 +/- 2.87  10.424% *  0.0061% (0.05   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   LYS+ 111  15.54 +/- 3.54   1.806% *  0.0157% (0.14   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  25.65 +/- 3.83   0.335% *  0.0780% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  25.14 +/- 3.23   0.407% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.40 +/- 4.05   0.412% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  18.94 +/- 2.25   0.657% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  19.92 +/- 2.39   0.608% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.626, support = 6.36, residual support = 153.1:
          HN    GLN   30 - HG3   GLN   30   3.62 +/- 0.62  61.086% * 82.4230% (0.65   6.48 159.29) =  95.398%  kept
          HN    GLU-  29 - HG3   GLN   30   5.80 +/- 0.85  14.943% * 15.8001% (0.20   4.06  26.20) =   4.473%  kept
          HE1   HIS  122 - HG3   GLN   30  17.69 +/- 5.59  13.716% *  0.3631% (0.92   0.02   0.02) =   0.094%
          HN    GLU-  14 - HG3   GLN   30  13.01 +/- 3.55   2.037% *  0.3899% (0.99   0.02   0.02) =   0.015%
          HN    LYS+  99 - HG3   GLN   30  14.21 +/- 2.37   1.910% *  0.3412% (0.87   0.02   0.02) =   0.012%
          HN    ASP-  86 - HG3   GLN   30  22.64 +/- 6.94   0.684% *  0.2227% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   LYS+ 111  17.15 +/- 2.09   0.824% *  0.0730% (0.19   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  16.26 +/- 2.82   1.100% *  0.0283% (0.07   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  21.30 +/- 1.73   0.397% *  0.0686% (0.17   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   LYS+ 111  22.42 +/- 3.35   0.439% *  0.0448% (0.11   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.69 +/- 1.39   0.965% *  0.0174% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.61 +/- 0.81   0.457% *  0.0266% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.37 +/- 3.31   0.219% *  0.0511% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  32.80 +/- 5.32   0.129% *  0.0784% (0.20   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.86 +/- 1.94   0.378% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  27.43 +/- 3.26   0.211% *  0.0304% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.83 +/- 3.52   0.199% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  23.19 +/- 1.98   0.309% *  0.0061% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.166, support = 5.52, residual support = 46.7:
          HG    LEU   31 - HB3   GLN   30   3.96 +/- 0.42  58.315% * 74.9939% (0.15  1.00   6.14  52.12) =  88.563%  kept
          QD2   LEU   73 - HB3   GLN   30   6.30 +/- 3.07  36.328% * 14.7944% (0.25  1.00   0.75   4.76) =  10.884%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.02 +/- 3.63   3.198% *  7.7012% (0.49 10.00   0.02   0.02) =   0.499%  kept
          HG3   LYS+ 121 - HB3   GLN   30  19.45 +/- 4.56   1.046% *  1.5508% (0.98  1.00   0.02   0.02) =   0.033%
          QD2   LEU  123 - HB3   GLN   30  18.67 +/- 3.54   1.113% *  0.9596% (0.61  1.00   0.02   0.02) =   0.022%
    Distance limit 3.73 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.871, support = 2.17, residual support = 4.07:
          QD1   LEU   73 - HB3   GLN   30   5.43 +/- 4.08  39.648% * 65.8780% (0.87   2.43   4.76) =  85.324%  kept
          QD1   LEU  104 - HB3   GLN   30  11.42 +/- 3.78  14.988% * 22.2055% (0.87   0.82   0.02) =  10.872%  kept
          QD2   LEU  115 - HB3   GLN   30  16.51 +/- 3.66   9.956% * 10.3225% (1.00   0.33   0.02) =   3.357%  kept
          QD1   LEU   63 - HB3   GLN   30  12.27 +/- 3.01  10.447% *  0.5427% (0.87   0.02   0.02) =   0.185%  kept
          QD2   LEU   80 - HB3   GLN   30  12.70 +/- 6.83   7.287% *  0.6201% (0.99   0.02   0.02) =   0.148%  kept
          QD2   LEU   63 - HB3   GLN   30  11.92 +/- 3.03  12.963% *  0.1740% (0.28   0.02   0.02) =   0.074%
          QG1   VAL   83 - HB3   GLN   30  13.99 +/- 6.43   4.710% *  0.2572% (0.41   0.02   0.02) =   0.040%
    Distance limit 3.82 A violated in 2 structures by 0.54 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.759, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  18.63 +/- 3.39  29.666% * 54.6388% (0.97   0.02   0.02) =  52.461%  kept
          HG3   LYS+ 121 - HB2   GLN   30  19.39 +/- 4.68  30.636% * 36.6255% (0.65   0.02   0.02) =  36.315%  kept
          QD1   ILE   56 - HB2   GLN   30  17.04 +/- 3.49  39.699% *  8.7356% (0.15   0.02   0.02) =  11.224%  kept
    Distance limit 3.57 A violated in 20 structures by 10.89 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.87, support = 2.44, residual support = 4.21:
          QD1   LEU   73 - HB2   GLN   30   5.81 +/- 3.85  38.512% * 70.9069% (0.87   2.68   4.76) =  88.443%  kept
          QD1   LEU  104 - HB2   GLN   30  11.50 +/- 3.41  13.325% * 19.4534% (0.87   0.74   0.02) =   8.396%  kept
          QD2   LEU  115 - HB2   GLN   30  16.55 +/- 3.78  10.210% *  8.0871% (1.00   0.27   0.02) =   2.674%  kept
          QD2   LEU   80 - HB2   GLN   30  12.88 +/- 7.02  11.082% *  0.6040% (0.99   0.02   0.02) =   0.217%  kept
          QD1   LEU   63 - HB2   GLN   30  12.42 +/- 2.70   9.203% *  0.5286% (0.87   0.02   0.02) =   0.158%  kept
          QD2   LEU   63 - HB2   GLN   30  12.03 +/- 2.70  11.546% *  0.1694% (0.28   0.02   0.02) =   0.063%
          QG1   VAL   83 - HB2   GLN   30  14.20 +/- 6.47   6.121% *  0.2505% (0.41   0.02   0.02) =   0.050%
    Distance limit 3.81 A violated in 5 structures by 0.84 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.92, residual support = 159.2:
      O T HA    GLN   30 - HG3   GLN   30   2.78 +/- 0.59  62.836% * 98.6729% (0.65  10.0 10.00   4.92 159.29) =  99.972%  kept
          HB    THR   39 - HG3   GLN   30  10.16 +/- 3.10   5.726% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.011%
        T HD3   PRO   52 - HB2   PRO   93   9.29 +/- 2.51   3.349% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          QB    SER   13 - HG3   GLN   30  12.73 +/- 3.22   2.190% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   SER   37 - HG3   GLN   30  10.09 +/- 2.32   2.054% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HG3   GLN   30  20.67 +/- 8.10   0.613% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   6.80 +/- 2.47  13.674% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG3   GLN   30  20.01 +/- 4.23   0.992% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HG3   GLN   30  24.53 +/- 4.63   0.197% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.77 +/- 3.42   0.089% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  26.12 +/- 3.29   0.147% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  15.66 +/- 2.76   0.677% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.08 +/- 2.07   1.932% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  22.59 +/- 2.04   0.173% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.31 +/- 3.48   0.278% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  10.95 +/- 1.04   1.370% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.18 +/- 3.02   0.440% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.45 +/- 2.07   0.675% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  11.88 +/- 1.81   1.476% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.16 +/- 2.01   0.307% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  25.94 +/- 3.56   0.107% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.21 +/- 2.52   0.106% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  30.66 +/- 5.38   0.076% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.34 +/- 1.61   0.171% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.80 +/- 3.37   0.162% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  29.42 +/- 2.78   0.071% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  25.56 +/- 1.89   0.112% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.01, residual support = 23.0:
          HZ2   TRP   27 - QD1   LEU   31   2.78 +/- 0.67  97.092% * 99.8233% (0.87   2.01  22.96) =  99.995%  kept
          HZ    PHE   72 - QD1   LEU   31  10.63 +/- 1.86   2.908% *  0.1767% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.868, support = 0.846, residual support = 13.5:
          HD21  ASN   28 - QD1   LEU   31   4.83 +/- 0.99  47.837% * 57.3150% (0.92   0.90  19.46) =  66.329%  kept
          HZ2   TRP   87 - QD1   LEU   31  12.48 +/- 8.44  34.852% * 39.6867% (0.76   0.75   1.70) =  33.461%  kept
          HN    LEU   63 - QD1   LEU   31  13.43 +/- 2.39   3.246% *  1.0583% (0.76   0.02   0.02) =   0.083%
          QE    PHE   60 - QD1   LEU   31  11.05 +/- 2.80   7.910% *  0.2741% (0.20   0.02   0.02) =   0.052%
          HN    ALA   84 - QD1   LEU   31  14.75 +/- 5.94   3.873% *  0.3850% (0.28   0.02   0.02) =   0.036%
          HN    ILE   56 - QD1   LEU   31  18.01 +/- 2.37   1.346% *  0.8958% (0.65   0.02   0.02) =   0.029%
          HN    LYS+ 111 - QD1   LEU   31  18.52 +/- 2.09   0.936% *  0.3850% (0.28   0.02   0.02) =   0.009%
    Distance limit 3.95 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  16.91 +/- 6.49  25.673% * 52.6698% (0.97   0.02   0.02) =  46.392%  kept
          HN    ASP- 105 - QD1   LEU   31  10.27 +/- 3.19  56.617% * 18.6164% (0.34   0.02   0.02) =  36.161%  kept
          HN    PHE   55 - QD1   LEU   31  19.33 +/- 2.45  17.710% * 28.7138% (0.53   0.02   0.02) =  17.446%  kept
    Distance limit 4.34 A violated in 20 structures by 5.34 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.72, residual support = 231.9:
          HN    LEU   31 - HG    LEU   31   2.44 +/- 0.37  96.992% * 99.1441% (0.67   7.72 231.95) =  99.993%  kept
          HN    LYS+  38 - HG    LEU   31  10.64 +/- 0.96   1.714% *  0.1989% (0.52   0.02   0.02) =   0.004%
          HN    ASP-  62 - HG    LEU   31  17.37 +/- 3.09   0.852% *  0.2757% (0.72   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG    LEU   31  23.32 +/- 3.07   0.220% *  0.3047% (0.79   0.02   0.02) =   0.001%
          HN    PHE   55 - HG    LEU   31  23.67 +/- 3.27   0.223% *  0.0766% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.13, residual support = 231.9:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.04  92.332% * 99.3670% (0.34  10.0   7.13 231.95) =  99.978%  kept
          HN    LYS+  38 - HB3   LEU   31   9.31 +/- 1.04   6.355% *  0.2907% (1.00   1.0   0.02   0.02) =   0.020%
          HN    ASP-  62 - HB3   LEU   31  18.65 +/- 2.85   0.969% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB3   LEU   31  24.78 +/- 2.86   0.344% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.775, support = 5.33, residual support = 39.5:
          HN    GLN   32 - HB3   LEU   31   3.93 +/- 0.16  66.033% * 71.9599% (0.76   5.92  44.60) =  84.502%  kept
          HN    ALA   34 - HB3   LEU   31   5.22 +/- 0.66  31.636% * 27.5351% (0.84   2.07  11.78) =  15.491%  kept
          HN    LEU   80 - HB3   LEU   31  18.38 +/- 5.42   1.165% *  0.2309% (0.73   0.02   0.02) =   0.005%
          HN    SER   85 - HB3   LEU   31  21.68 +/- 6.99   0.860% *  0.1193% (0.38   0.02   0.02) =   0.002%
          HN    CYS   53 - HB3   LEU   31  24.31 +/- 2.05   0.305% *  0.1548% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.75 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 = 0.725, support = 2.55, residual support = 19.4:
        T HA    ASN   28 - HB2   LEU   31   3.70 +/- 0.35  67.164% * 97.0000% (0.73 10.00   2.55  19.46) =  99.722%  kept
        T HA    ALA   34 - HB2   LEU   31   7.62 +/- 0.36   7.903% *  1.1980% (0.90 10.00   0.02  11.78) =   0.145%  kept
          HA    THR   26 - HB2   LEU   31   8.79 +/- 0.34   5.198% *  1.1787% (0.76  1.00   0.23   0.02) =   0.094%
          HA1   GLY  101 - HB2   LEU   31  10.62 +/- 5.27  17.524% *  0.1324% (0.99  1.00   0.02   0.02) =   0.036%
        T HA    ALA  124 - HB2   LEU   31  23.41 +/- 4.76   0.424% *  0.2061% (0.15 10.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   LEU   31  20.33 +/- 2.90   0.776% *  0.1021% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  23.78 +/- 3.08   0.358% *  0.1324% (0.99  1.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - HB2   LEU   31  24.91 +/- 4.11   0.360% *  0.0297% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.54 +/- 2.29   0.293% *  0.0206% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 7.13, residual support = 231.9:
      O   HN    LEU   31 - HB2   LEU   31   2.65 +/- 0.16  97.615% * 99.3670% (0.34  10.0   7.13 231.95) =  99.994%  kept
          HN    LYS+  38 - HB2   LEU   31  10.04 +/- 0.77   1.907% *  0.2907% (1.00   1.0   0.02   0.02) =   0.006%
          HN    ASP-  62 - HB2   LEU   31  19.55 +/- 2.90   0.343% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  25.47 +/- 2.97   0.135% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.7, residual support = 42.4:
          HN    GLN   32 - HB2   LEU   31   2.77 +/- 0.23  85.594% * 68.2139% (0.76   5.92  44.60) =  93.353%  kept
          HN    ALA   34 - HB2   LEU   31   5.33 +/- 0.32  13.273% * 31.3074% (0.84   2.49  11.78) =   6.644%  kept
          HN    LEU   80 - HB2   LEU   31  18.37 +/- 6.02   0.577% *  0.2188% (0.73   0.02   0.02) =   0.002%
          HN    SER   85 - HB2   LEU   31  21.76 +/- 7.50   0.408% *  0.1131% (0.38   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   31  24.96 +/- 2.17   0.148% *  0.1467% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 7.13, residual support = 231.9:
      O   HN    LEU   31 - HA    LEU   31   2.78 +/- 0.06  94.976% * 99.3670% (0.34  10.0   7.13 231.95) =  99.986%  kept
          HN    LYS+  38 - HA    LEU   31   7.99 +/- 0.63   4.270% *  0.2907% (1.00   1.0   0.02   0.02) =   0.013%
          HN    ASP-  62 - HA    LEU   31  17.91 +/- 2.69   0.573% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  24.58 +/- 2.99   0.182% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.777, support = 5.44, residual support = 38.7:
      O   HN    GLN   32 - HA    LEU   31   3.59 +/- 0.04  44.128% * 84.7744% (0.76  10.0   5.92  44.60) =  81.920%  kept
          HN    ALA   34 - HA    LEU   31   3.36 +/- 0.57  54.858% * 15.0494% (0.84   1.0   3.25  11.78) =  18.079%  kept
          HN    LEU   80 - HA    LEU   31  18.55 +/- 5.00   0.520% *  0.0806% (0.73   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    LEU   31  22.42 +/- 6.16   0.333% *  0.0416% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.19 +/- 2.16   0.160% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.713, support = 0.882, residual support = 0.88:
          QD1   LEU   73 - HA    LEU   31   7.60 +/- 3.34  34.377% * 35.8400% (0.49   1.15   1.32) =  51.972%  kept
          QD1   LEU  104 - HA    LEU   31   9.52 +/- 2.98  21.881% * 42.0568% (0.99   0.66   0.49) =  38.819%  kept
          QD2   LEU  115 - HA    LEU   31  16.43 +/- 3.01   9.969% * 19.0839% (0.84   0.36   0.02) =   8.025%  kept
          QG1   VAL   83 - HA    LEU   31  14.53 +/- 6.23   9.604% *  1.0276% (0.80   0.02   0.02) =   0.416%  kept
          QD2   LEU   80 - HA    LEU   31  14.20 +/- 6.12   8.132% *  1.1132% (0.87   0.02   0.02) =   0.382%  kept
          QD1   LEU   63 - HA    LEU   31  12.47 +/- 2.51  13.699% *  0.6246% (0.49   0.02   0.02) =   0.361%  kept
          QG2   ILE   89 - HA    LEU   31  17.96 +/- 3.62   2.337% *  0.2540% (0.20   0.02   0.02) =   0.025%
    Distance limit 3.89 A violated in 12 structures by 1.73 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 3.56, residual support = 16.9:
          HD1   TRP   87 - QG2   VAL   83   2.49 +/- 0.57  87.029% * 74.4326% (0.53   3.61  16.94) =  98.115%  kept
          HE3   TRP   87 - QG2   VAL   83   6.44 +/- 0.52   5.752% * 19.8272% (0.45   1.13  16.94) =   1.727%  kept
          HN    TRP   27 - QG2   VAL   83  13.85 +/- 6.44   1.846% *  3.8894% (1.00   0.10   0.02) =   0.109%  kept
          HN    ALA   91 - QG2   VAL   83   8.18 +/- 0.78   3.949% *  0.6541% (0.84   0.02   0.02) =   0.039%
          HN    ALA   61 - QG2   VAL   83  14.85 +/- 2.35   0.779% *  0.5985% (0.76   0.02   0.02) =   0.007%
          HN    THR   39 - QG2   VAL   83  18.56 +/- 3.60   0.358% *  0.4434% (0.57   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   VAL   83  19.93 +/- 4.56   0.287% *  0.1550% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2473 (6.72, 0.08, 62.25 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  12.63 +/- 2.22 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.22 A violated in 20 structures by 9.40 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 0.02, residual support = 0.0318:
          QD    PHE   59 - QG2   VAL   42   6.51 +/- 1.74  57.009% * 17.5479% (0.39   0.02   0.02) =  46.378%  kept
          HE21  GLN   30 - QG2   VAL   42   9.27 +/- 1.56  25.931% * 30.1124% (0.67   0.02   0.02) =  36.200%  kept
          HD1   TRP   27 - QG2   VAL   42  11.88 +/- 1.64  12.627% * 17.5479% (0.39   0.02   0.13) =  10.272%  kept
          HH2   TRP   49 - QG2   VAL   42  16.19 +/- 2.56   4.433% * 34.7918% (0.77   0.02   0.02) =   7.150%  kept
    Distance limit 3.41 A violated in 18 structures by 2.55 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.77, support = 0.296, residual support = 1.53:
          QD2   LEU   40 - QG2   VAL   42   3.68 +/- 1.26  33.642% * 64.9874% (0.79  1.00   0.33   1.71) =  88.290%  kept
          QD1   LEU   67 - QG2   VAL   42   5.46 +/- 2.83  27.660% *  3.9310% (0.80  1.00   0.02   0.02) =   4.391%  kept
        T HB    VAL   75 - QG2   VAL   42   7.41 +/- 1.09   5.500% * 19.1766% (0.39 10.00   0.02   0.02) =   4.260%  kept
          QG2   ILE  103 - QG2   VAL   42   6.75 +/- 1.09   7.022% *  3.9048% (0.79  1.00   0.02   0.02) =   1.107%  kept
          QD2   LEU   71 - QG2   VAL   42   6.56 +/- 1.47  12.898% *  1.9177% (0.39  1.00   0.02   1.33) =   0.999%  kept
          QD1   ILE  103 - QG2   VAL   42   7.48 +/- 1.23   7.165% *  1.4786% (0.30  1.00   0.02   0.02) =   0.428%  kept
          HG3   LYS+  74 - QG2   VAL   42   9.76 +/- 1.49   2.686% *  3.7268% (0.76  1.00   0.02   0.02) =   0.404%  kept
          QG2   ILE  119 - QG2   VAL   42   8.35 +/- 2.11   3.426% *  0.8771% (0.18  1.00   0.02   0.02) =   0.121%  kept
    Distance limit 3.12 A violated in 1 structures by 0.26 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.97, support = 4.16, residual support = 22.5:
        T HZ2   TRP   27 - QD2   LEU   31   3.48 +/- 0.70  58.272% * 96.8394% (0.99 10.00   4.23  22.96) =  97.716%  kept
        T HZ2   TRP   27 - QG2   VAL   43   5.95 +/- 3.90  41.728% *  3.1606% (0.07 10.00   0.96   4.40) =   2.284%  kept
    Distance limit 3.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.2, residual support = 52.1:
          HE22  GLN   30 - QD2   LEU   31   4.40 +/- 0.28  66.391% * 99.1218% (0.90   3.20  52.12) =  99.909%  kept
          HD22  ASN   69 - QD2   LEU   31  13.44 +/- 3.37  10.743% *  0.4470% (0.65   0.02   0.02) =   0.073%
          HE22  GLN   30 - QG2   VAL   43   9.09 +/- 2.73  16.938% *  0.0419% (0.06   0.02   0.02) =   0.011%
          HN    TRP   49 - QD2   LEU   31  18.95 +/- 2.50   1.009% *  0.3363% (0.49   0.02   0.02) =   0.005%
          HD22  ASN   69 - QG2   VAL   43  13.54 +/- 1.39   2.584% *  0.0303% (0.04   0.02   0.02) =   0.001%
          HN    TRP   49 - QG2   VAL   43  13.63 +/- 0.83   2.335% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.51 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.9:
      O T HA    VAL   43 - QG2   VAL   43   2.31 +/- 0.35  89.800% * 99.3737% (0.50  10.0 10.00   3.00  60.96) =  99.980%  kept
        T HA    VAL   43 - QD2   LEU   31   8.17 +/- 2.46   4.750% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.015%
          HA    HIS   22 - QG2   VAL   43  10.98 +/- 3.39   1.998% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   69 - QG2   VAL   43  12.56 +/- 1.79   0.778% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QD2   LEU   31   9.45 +/- 0.98   1.709% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QD2   LEU   31  12.55 +/- 2.87   0.965% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.205, support = 3.02, residual support = 19.7:
        T HZ3   TRP   27 - QD2   LEU   31   3.49 +/- 1.17  58.498% * 77.0203% (0.14 10.00   3.30  22.96) =  82.531%  kept
          HZ3   TRP   27 - QG2   VAL   43   5.49 +/- 3.39  41.502% * 22.9797% (0.50  1.00   1.71   4.40) =  17.469%  kept
    Distance limit 3.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.885, support = 4.37, residual support = 42.3:
          HN    GLN   32 - QG    GLN   32   3.71 +/- 0.48  74.291% * 84.5625% (0.92   4.43  44.65) =  94.611%  kept
          HN    ALA   34 - QG    GLN   32   5.55 +/- 0.46  23.993% * 14.9021% (0.22   3.24   0.64) =   5.385%  kept
          HN    SER   85 - QG    GLN   32  23.56 +/- 6.56   0.576% *  0.3992% (0.97   0.02   0.02) =   0.003%
          HN    LEU   80 - QG    GLN   32  20.63 +/- 5.21   0.710% *  0.0638% (0.15   0.02   0.02) =   0.001%
          HN    THR   94 - QG    GLN   32  21.45 +/- 1.59   0.430% *  0.0724% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 4.44, residual support = 44.5:
      O   HN    GLN   32 - QB    GLN   32   2.16 +/- 0.09  90.790% * 96.0338% (0.92  10.0   4.45  44.65) =  99.618%  kept
          HN    ALA   34 - QB    GLN   32   4.73 +/- 0.14   8.732% *  3.8315% (0.22   1.0   3.31   0.64) =   0.382%  kept
          HN    SER   85 - QB    GLN   32  22.51 +/- 6.80   0.150% *  0.1004% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  19.28 +/- 5.57   0.213% *  0.0161% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.39 +/- 1.72   0.116% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.264, support = 6.21, residual support = 54.6:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.03  24.006% * 66.0346% (0.36  10.0   6.40  26.20) =  55.587%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.76 +/- 0.05  48.623% * 25.4533% (0.14  10.0   6.11  92.21) =  43.398%  kept
          HN    GLN   30 - HA    LYS+  33   7.32 +/- 0.55   2.757% *  3.9155% (0.57   1.0   0.75   0.52) =   0.378%  kept
          HN    GLN   30 - HA    GLN   32   6.74 +/- 0.19   3.331% *  2.8172% (0.55   1.0   0.56   1.74) =   0.329%  kept
          HN    GLU-  14 - HA    GLU-  29  15.49 +/- 5.75  11.604% *  0.6976% (0.41   1.0   0.18   0.02) =   0.284%  kept
          HN    GLU-  14 - HA    GLN   32  17.02 +/- 5.65   0.828% *  0.1170% (0.63   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    GLN   32  11.77 +/- 2.96   1.023% *  0.0920% (0.50   1.0   0.02   0.02) =   0.003%
          HN    GLU-  29 - HA    GLN   32   7.60 +/- 0.37   2.360% *  0.0391% (0.21   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    LYS+  33  14.99 +/- 4.99   0.737% *  0.1204% (0.65   1.0   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    GLU-  29  21.39 +/- 5.99   1.084% *  0.0660% (0.36   1.0   0.02   0.02) =   0.003%
          HN    GLU-  29 - HA    LYS+  33   8.68 +/- 0.83   1.737% *  0.0402% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  13.24 +/- 1.48   0.499% *  0.0947% (0.51   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    GLN   32  19.90 +/- 5.52   0.349% *  0.1015% (0.55   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  20.41 +/- 5.47   0.257% *  0.1044% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLU-  29  15.21 +/- 2.67   0.409% *  0.0599% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  24.41 +/- 7.87   0.147% *  0.0920% (0.50   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  23.62 +/- 8.27   0.165% *  0.0599% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  26.72 +/- 6.58   0.085% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 4.36, residual support = 43.0:
      O   HN    GLN   32 - HA    GLN   32   2.78 +/- 0.07  58.701% * 78.1027% (0.39  10.0   4.39  44.65) =  95.005%  kept
          HN    GLN   32 - HA    LYS+  33   5.19 +/- 0.14   9.142% * 19.2076% (0.40   1.0   4.78  15.48) =   3.639%  kept
          HN    GLN   32 - HA    GLU-  29   3.46 +/- 0.16  30.969% *  2.1114% (0.25   1.0   0.83   0.02) =   1.355%  kept
          HN    SER   85 - HA    GLN   32  25.26 +/- 7.07   0.138% *  0.1273% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  24.11 +/- 7.67   0.170% *  0.0829% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  27.43 +/- 5.91   0.088% *  0.1310% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.19 +/- 1.94   0.123% *  0.0671% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.69 +/- 1.48   0.097% *  0.0691% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  22.20 +/- 2.04   0.123% *  0.0437% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  22.38 +/- 3.65   0.136% *  0.0213% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  20.61 +/- 4.96   0.202% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  23.57 +/- 3.29   0.112% *  0.0219% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.626, support = 5.96, residual support = 138.3:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.02  50.604% * 79.0261% (0.69  10.0   6.18 154.86) =  88.149%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.57 +/- 0.04  26.067% * 20.3232% (0.18  10.0   4.43  15.48) =  11.678%  kept
          HN    LYS+  33 - HA    GLU-  29   4.39 +/- 1.01  21.036% *  0.3689% (0.19   1.0   0.33   0.02) =   0.171%  kept
          HN    CYS   21 - HA    LYS+  33  14.52 +/- 1.72   0.427% *  0.1032% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.88 +/- 0.85   0.736% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.79 +/- 1.16   0.382% *  0.0265% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  23.85 +/- 3.51   0.147% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  24.23 +/- 4.31   0.190% *  0.0144% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  22.87 +/- 3.29   0.149% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  28.26 +/- 4.84   0.064% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  25.61 +/- 6.04   0.101% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  26.08 +/- 5.86   0.097% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.707, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  16.15 +/- 3.06  19.076% * 37.1179% (0.92   0.02   0.02) =  45.479%  kept
          HE3   TRP   27 - QB    LYS+  33   8.89 +/- 1.19  62.478% *  5.4417% (0.14   0.02   0.02) =  21.838%  kept
          HN    LYS+  81 - QB    LYS+  33  21.58 +/- 5.19   8.243% * 39.4132% (0.98   0.02   0.02) =  20.869%  kept
          HN    LYS+  66 - QB    LYS+  33  17.63 +/- 2.02  10.203% * 18.0271% (0.45   0.02   0.02) =  11.814%  kept
    Distance limit 3.75 A violated in 20 structures by 4.87 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.14, residual support = 154.9:
      O   HN    LYS+  33 - QB    LYS+  33   2.33 +/- 0.27  98.418% * 99.9232% (0.97  10.0   6.14 154.86) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  11.31 +/- 1.68   1.115% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  20.79 +/- 3.42   0.467% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.88, support = 5.64, residual support = 37.1:
          HN    ALA   34 - QB    LYS+  33   3.27 +/- 0.30  71.521% * 67.3519% (0.92   5.93  41.04) =  84.462%  kept
          HN    GLN   32 - QB    LYS+  33   4.62 +/- 0.37  27.496% * 32.2247% (0.65   4.05  15.48) =  15.536%  kept
          HN    LEU   80 - QB    LYS+  33  19.68 +/- 4.82   0.500% *  0.2056% (0.84   0.02   0.02) =   0.002%
          HN    CYS   53 - QB    LYS+  33  25.35 +/- 2.59   0.203% *  0.1493% (0.61   0.02   0.02) =   0.001%
          HN    SER   85 - QB    LYS+  33  23.72 +/- 5.31   0.280% *  0.0684% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.551, support = 0.02, residual support = 0.02:
          HN    ILE  103 - QB    LYS+  33  13.86 +/- 2.17  34.215% * 24.3087% (0.57   0.02   0.02) =  45.848%  kept
          HN    GLY   16 - QB    LYS+  33  11.65 +/- 3.78  49.113% *  8.4971% (0.20   0.02   0.02) =  23.005%  kept
          HN    SER   82 - QB    LYS+  33  21.74 +/- 5.96  11.472% * 34.3809% (0.80   0.02   0.02) =  21.742%  kept
          HN    GLN   90 - QB    LYS+  33  25.77 +/- 3.08   5.200% * 32.8133% (0.76   0.02   0.02) =   9.406%  kept
    Distance limit 3.96 A violated in 19 structures by 6.21 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.516, support = 5.58, residual support = 150.8:
      O   HA    LYS+  33 - HG2   LYS+  33   3.95 +/- 0.17  39.333% * 92.6646% (0.53  10.0   5.65 154.86) =  97.057%  kept
          HB2   SER   82 - QG    LYS+  81   6.12 +/- 1.46  19.160% *  4.7170% (0.13   1.0   4.02  19.92) =   2.407%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.12 +/- 1.27  14.999% *  1.1430% (0.38   1.0   0.35   0.02) =   0.457%  kept
          HB2   SER   37 - HG2   LYS+  33   6.88 +/- 1.77  13.305% *  0.1471% (0.84   1.0   0.02   0.02) =   0.052%
          HA    VAL   70 - HG2   LYS+  33  12.42 +/- 2.72   2.300% *  0.1471% (0.84   1.0   0.02   0.02) =   0.009%
          HA    VAL   18 - HG2   LYS+  33  12.03 +/- 3.11   3.070% *  0.0601% (0.34   1.0   0.02   0.02) =   0.005%
          HA1   GLY   16 - HG2   LYS+  33  14.10 +/- 3.93   1.522% *  0.0857% (0.49   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HG2   LYS+ 106  15.04 +/- 2.05   0.839% *  0.0892% (0.51   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+ 106  16.84 +/- 3.11   0.728% *  0.0892% (0.51   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HG2   LYS+  33  23.83 +/- 4.23   0.313% *  0.1471% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  18.94 +/- 2.03   0.407% *  0.0892% (0.51   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   LYS+  33  23.30 +/- 7.40   0.392% *  0.0490% (0.28   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HG2   LYS+ 106  20.47 +/- 1.82   0.304% *  0.0562% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.02 +/- 1.02   0.236% *  0.0704% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  20.29 +/- 4.67   0.540% *  0.0297% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  23.42 +/- 2.60   0.220% *  0.0704% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  23.97 +/- 5.30   0.297% *  0.0520% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  20.69 +/- 4.55   0.386% *  0.0364% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  20.48 +/- 3.07   0.339% *  0.0401% (0.23   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  21.54 +/- 6.25   0.404% *  0.0316% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.30 +/- 2.75   0.171% *  0.0704% (0.40   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  21.61 +/- 6.21   0.370% *  0.0288% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  24.83 +/- 4.65   0.207% *  0.0444% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  26.74 +/- 4.90   0.159% *  0.0410% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.13, residual support = 124.2:
        T QD1   ILE   56 - QG2   ILE   56   2.48 +/- 0.63  86.982% * 99.6085% (0.98 10.00   5.13 124.21) =  99.990%  kept
          QD2   LEU   73 - QG2   ILE   56  10.39 +/- 3.51   7.681% *  0.0814% (0.80  1.00   0.02   0.02) =   0.007%
        T QG1   VAL   41 - QG2   ILE   56  13.40 +/- 0.97   0.797% *  0.1568% (0.15 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QG2   ILE   56  13.46 +/- 1.85   1.043% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QG2   ILE   56  10.53 +/- 2.68   3.119% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  17.10 +/- 2.57   0.379% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.985, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   3.46 +/- 1.37  83.826% * 49.9558% (0.99 10.00   0.02   0.02) =  98.253%  kept
        T HA    ILE   19 - QG2   ILE   56  16.94 +/- 2.84   1.280% * 42.0992% (0.84 10.00   0.02   0.02) =   1.264%  kept
          HA    GLU- 114 - QG2   ILE   56   9.12 +/- 1.01  12.824% *  1.2568% (0.25  1.00   0.02   0.02) =   0.378%  kept
          HA    GLU-  25 - QG2   ILE   56  20.74 +/- 3.05   0.645% *  3.0570% (0.61  1.00   0.02   0.02) =   0.046%
          HA    THR   26 - QG2   ILE   56  20.62 +/- 2.90   0.660% *  2.8535% (0.57  1.00   0.02   0.02) =   0.044%
          HA1   GLY  101 - QG2   ILE   56  20.70 +/- 1.79   0.764% *  0.7777% (0.15  1.00   0.02   0.02) =   0.014%
    Distance limit 3.20 A violated in 4 structures by 0.67 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.905, support = 3.99, residual support = 20.3:
          HA    PHE   55 - QG2   ILE   56   4.60 +/- 0.56  46.130% * 89.4526% (0.92   4.22  21.70) =  93.450%  kept
          HA    ALA  110 - QG2   ILE   56   7.66 +/- 3.54  30.039% *  9.5098% (0.65   0.64   0.67) =   6.469%  kept
          HA    THR   46 - QG2   ILE   56   7.45 +/- 1.88  17.048% *  0.0908% (0.20   0.02   0.02) =   0.035%
          HA    VAL   42 - QG2   ILE   56  11.60 +/- 1.26   3.057% *  0.3674% (0.80   0.02   0.02) =   0.025%
          HA    GLN   90 - QG2   ILE   56  13.64 +/- 2.41   1.980% *  0.3506% (0.76   0.02   0.02) =   0.016%
          HA    GLN   17 - QG2   ILE   56  17.05 +/- 4.25   1.327% *  0.1144% (0.25   0.02   0.02) =   0.003%
          HA    SER   37 - QG2   ILE   56  22.79 +/- 2.17   0.420% *  0.1144% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.76 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  10.02 +/- 1.42 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.03 A violated in 20 structures by 6.99 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.28, residual support = 31.7:
          HN    ALA   57 - QG2   ILE   56   3.47 +/- 0.69  67.589% * 99.1105% (0.92   5.29  31.76) =  99.845%  kept
          HE21  GLN  116 - QG2   ILE   56   8.37 +/- 3.08  24.604% *  0.3524% (0.87   0.02   0.02) =   0.129%  kept
          HN    ALA  120 - QG2   ILE   56  10.14 +/- 2.02   6.742% *  0.1978% (0.49   0.02   0.02) =   0.020%
          HE21  GLN   90 - QG2   ILE   56  15.91 +/- 2.37   1.066% *  0.3394% (0.84   0.02   0.02) =   0.005%
    Distance limit 3.52 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.643, support = 6.66, residual support = 123.2:
          HN    ILE   56 - QG2   ILE   56   2.41 +/- 0.67  68.616% * 95.4147% (0.65   6.71 124.21) =  99.115%  kept
          QE    PHE   60 - QG2   ILE   56   6.37 +/- 1.78  16.896% *  3.2629% (0.20   0.75   4.40) =   0.835%  kept
          HN    LEU   63 - QG2   ILE   56   7.66 +/- 1.58   6.459% *  0.3360% (0.76   0.02   0.02) =   0.033%
          HN    LYS+ 111 - QG2   ILE   56   7.78 +/- 2.18   6.686% *  0.1222% (0.28   0.02   0.02) =   0.012%
          HZ2   TRP   87 - QG2   ILE   56  15.90 +/- 3.34   0.634% *  0.3360% (0.76   0.02   0.02) =   0.003%
          HD21  ASN   28 - QG2   ILE   56  18.07 +/- 2.74   0.223% *  0.4059% (0.92   0.02   0.02) =   0.001%
          HN    ALA   84 - QG2   ILE   56  15.45 +/- 2.89   0.486% *  0.1222% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.786, support = 2.4, residual support = 4.98:
        T HB    THR   39 - QB    ALA   34   4.68 +/- 1.23  32.998% * 93.2600% (0.80 10.00   2.46   4.96) =  94.196%  kept
          HA    GLN   30 - QB    ALA   34   4.51 +/- 1.28  32.880% *  4.3843% (0.44  1.00   1.73   7.15) =   4.413%  kept
          HB3   SER   37 - QB    ALA   34   5.29 +/- 0.59  22.687% *  1.9632% (0.69  1.00   0.49   0.02) =   1.363%  kept
          QB    SER   13 - QB    ALA   34  12.34 +/- 3.13   7.275% *  0.0960% (0.83  1.00   0.02   0.02) =   0.021%
          HB    THR  118 - QB    ALA   34  14.85 +/- 2.63   2.345% *  0.0390% (0.34  1.00   0.02   0.02) =   0.003%
          HB3   SER   82 - QB    ALA   34  18.53 +/- 5.23   0.763% *  0.1031% (0.89  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QB    ALA   34  20.78 +/- 2.97   0.359% *  0.0795% (0.69  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  23.02 +/- 1.66   0.260% *  0.0589% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.69 +/- 1.99   0.434% *  0.0160% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.84, residual support = 11.8:
          HA    LEU   31 - QB    ALA   34   2.44 +/- 0.41 100.000% *100.0000% (0.65   1.84  11.78) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.753, support = 3.06, residual support = 8.58:
        T QG1   VAL   41 - QB    ALA   34   3.02 +/- 1.30  59.207% * 88.3241% (0.75 10.00   3.11   8.41) =  94.817%  kept
          HG    LEU   31 - QB    ALA   34   4.66 +/- 0.64  27.028% * 10.4991% (0.83  1.00   2.15  11.78) =   5.145%  kept
        T QD1   ILE   56 - QB    ALA   34  14.68 +/- 2.21   1.196% *  0.5563% (0.47 10.00   0.02   0.02) =   0.012%
        T QG2   VAL   18 - QB    ALA   34  10.34 +/- 1.45   1.372% *  0.4347% (0.37 10.00   0.02   0.02) =   0.011%
          QD2   LEU   73 - QB    ALA   34   6.95 +/- 1.85   6.307% *  0.0847% (0.72  1.00   0.02   0.02) =   0.010%
          QG1   VAL   43 - QB    ALA   34   7.68 +/- 1.81   4.322% *  0.0684% (0.58  1.00   0.02   0.02) =   0.005%
          QG2   THR   46 - QB    ALA   34  13.77 +/- 1.25   0.569% *  0.0326% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.35, residual support = 20.1:
          HN    ASN   35 - QB    ALA   34   3.01 +/- 0.04  95.435% * 98.6152% (0.62   3.35  20.15) =  99.977%  kept
          HN    ALA   12 - QB    ALA   34  15.64 +/- 3.14   1.562% *  0.8555% (0.89   0.02   0.02) =   0.014%
          HN    PHE   97 - QB    ALA   34  10.55 +/- 0.80   2.332% *  0.2647% (0.28   0.02   0.02) =   0.007%
          HN    LEU  115 - QB    ALA   34  17.75 +/- 2.33   0.670% *  0.2647% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.69, residual support = 25.1:
      O   HN    ALA   34 - QB    ALA   34   2.04 +/- 0.08  98.812% * 99.6936% (0.58  10.0   3.69  25.07) =  99.999%  kept
          HN    THR   26 - QB    ALA   34  10.61 +/- 1.08   0.842% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  16.66 +/- 3.31   0.243% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.82 +/- 1.72   0.103% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 3.49, residual support = 25.1:
      O   HN    ALA   34 - HA    ALA   34   2.74 +/- 0.03  92.149% * 99.6949% (0.87  10.0   3.49  25.07) =  99.997%  kept
          HN    GLN   32 - HA    ALA   34   6.68 +/- 0.23   6.427% *  0.0287% (0.25   1.0   0.02   0.64) =   0.002%
          HN    LEU   80 - HA    ALA   34  21.46 +/- 3.86   0.241% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  24.91 +/- 4.53   0.524% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.47 +/- 2.13   0.115% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  22.25 +/- 5.03   0.260% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  31.09 +/- 3.74   0.076% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  24.14 +/- 5.05   0.209% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.841, support = 1.71, residual support = 4.31:
          HB    THR   39 - HA    ALA   34   4.79 +/- 1.53  34.718% * 73.4940% (0.88   2.00   4.96) =  78.901%  kept
          HB3   SER   37 - HA    ALA   34   4.12 +/- 0.70  38.767% * 12.9129% (0.89   0.35   0.02) =  15.480%  kept
          HA    GLN   30 - HA    ALA   34   5.88 +/- 1.31  18.190% *  9.8337% (0.16   1.50   7.15) =   5.531%  kept
          QB    SER   13 - HA    ALA   34  14.10 +/- 3.67   2.189% *  0.7236% (0.87   0.02   0.02) =   0.049%
          HB    THR  118 - HA    ALA   34  19.32 +/- 3.22   0.646% *  0.5730% (0.69   0.02   0.02) =   0.011%
          QB    SER   13 - HA    ALA  124  23.81 +/- 5.38   1.167% *  0.1661% (0.20   0.02   0.02) =   0.006%
          HB3   SER   82 - HA    ALA   34  23.80 +/- 6.03   0.275% *  0.5445% (0.65   0.02   0.02) =   0.005%
          HB    THR  118 - HA    ALA  124  13.98 +/- 0.53   0.976% *  0.1315% (0.16   0.02   0.02) =   0.004%
          HB    THR   39 - HA    ALA  124  19.79 +/- 6.99   0.730% *  0.1687% (0.20   0.02   0.02) =   0.004%
          HA    ILE   89 - HA    ALA   34  26.73 +/- 3.41   0.136% *  0.7481% (0.89   0.02   0.02) =   0.003%
          HB3   SER   37 - HA    ALA  124  21.65 +/- 6.72   0.464% *  0.1717% (0.21   0.02   0.02) =   0.002%
          HA    ILE   89 - HA    ALA  124  30.79 +/- 4.50   0.270% *  0.1717% (0.21   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA  124  27.66 +/- 5.52   0.963% *  0.0383% (0.05   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA   34  29.14 +/- 2.05   0.117% *  0.1669% (0.20   0.02   0.02) =   0.001%
          HB3   SER   82 - HA    ALA  124  34.44 +/- 4.83   0.082% *  0.1250% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  23.58 +/- 5.13   0.309% *  0.0301% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 54.7:
      O T HA    ASN   35 - HB2   ASN   35   2.64 +/- 0.12  78.966% * 97.5620% (0.90  10.0 10.00   4.03  54.72) =  99.964%  kept
        T HA    LEU   40 - HB2   ASN   35  10.02 +/- 1.32   2.070% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.019%
        T HA    GLU-  15 - HB2   ASN   35  15.86 +/- 4.45   0.841% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T HA    ASN   35 - HB2   ASN   28  13.25 +/- 1.09   0.710% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HB2   ASN   35  10.03 +/- 2.32   2.463% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB2   ASN   28  17.98 +/- 6.04  10.417% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   ASN   28  16.49 +/- 3.47   0.836% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - HB2   ASN   28  15.65 +/- 1.46   0.435% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   ASN   35  18.74 +/- 6.05   0.938% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   ASN   35  22.70 +/- 4.72   0.223% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.02 +/- 3.06   0.774% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  25.17 +/- 5.58   0.422% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  25.74 +/- 4.03   0.169% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.17 +/- 2.96   0.079% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  24.03 +/- 4.59   0.325% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.82 +/- 3.80   0.125% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  28.78 +/- 3.00   0.071% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  28.52 +/- 4.68   0.136% *  0.0139% (0.13   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 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.84, residual support = 54.7:
      O   HN    ASN   35 - HB2   ASN   35   3.09 +/- 0.45  72.706% * 99.6071% (0.57  10.0   5.84  54.72) =  99.988%  kept
          HN    GLU-  14 - HB2   ASN   28  17.19 +/- 5.46  14.686% *  0.0187% (0.11   1.0   0.02   0.02) =   0.004%
          HN    LYS+  99 - HB2   ASN   35  11.04 +/- 2.65   2.163% *  0.0996% (0.57   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HB2   ASN   35  17.85 +/- 5.64   2.345% *  0.0600% (0.34   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   ASN   28  10.93 +/- 0.78   1.964% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASN   35  19.93 +/- 5.32   0.602% *  0.0856% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   ASN   35  20.48 +/- 5.76   1.589% *  0.0308% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   ASN   28  16.22 +/- 3.12   0.997% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  21.67 +/- 5.70   1.114% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  19.36 +/- 5.71   1.833% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 54.7:
      O   HD21  ASN   35 - HB2   ASN   35   2.78 +/- 0.49  94.811% * 99.7208% (1.00  10.0   3.58  54.72) =  99.998%  kept
          HD21  ASN   35 - HB2   ASN   28  11.83 +/- 1.48   1.890% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  12.01 +/- 1.64   1.708% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  19.64 +/- 2.78   0.370% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.06 +/- 2.13   0.292% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  31.73 +/- 2.17   0.081% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  19.97 +/- 3.17   0.398% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  25.39 +/- 3.61   0.181% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  33.10 +/- 3.89   0.074% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  26.72 +/- 6.00   0.196% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.834, support = 2.51, residual support = 6.62:
        T HA    GLN   32 - HB2   ASN   35   4.48 +/- 0.75  31.077% * 74.0291% (0.99 10.00   2.08   3.69) =  81.017%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.18 +/- 0.25  35.125% *  7.9253% (0.11 10.00   5.73  32.71) =   9.803%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.48 +/- 0.25  15.547% * 16.6286% (0.22 10.00   2.85   4.66) =   9.104%  kept
        T HA    GLN   32 - HB2   ASN   28   8.37 +/- 0.71   4.462% *  0.2303% (0.31 10.00   0.02   0.02) =   0.036%
        T HA    GLU-  29 - HB2   ASN   35   9.50 +/- 0.89   2.973% *  0.2548% (0.34 10.00   0.02   0.02) =   0.027%
        T HA    LYS+  33 - HB2   ASN   28  10.40 +/- 0.95   2.346% *  0.0517% (0.07 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HB2   ASN   35  21.79 +/- 1.83   0.259% *  0.3349% (0.45 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HB2   ASN   28  20.18 +/- 2.23   0.399% *  0.1042% (0.14 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASN   28  18.30 +/-10.79   2.160% *  0.0104% (0.14  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   ASN   35  18.35 +/- 3.41   0.627% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   35  17.24 +/- 2.30   0.569% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   ASN   35  29.94 +/- 5.75   0.116% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  14.86 +/- 1.38   0.944% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  25.71 +/- 7.49   0.236% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  24.23 +/- 7.39   0.296% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.44 +/- 2.11   0.090% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.86 +/- 2.77   0.105% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  20.16 +/- 8.22   0.746% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  19.40 +/- 3.01   0.628% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  26.20 +/- 5.96   0.191% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  23.90 +/- 4.65   0.262% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.60 +/- 2.32   0.151% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  23.73 +/- 3.47   0.286% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  25.63 +/- 5.10   0.406% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 51.9:
          QB    GLU-  36 - HB3   ASN   35   4.23 +/- 0.19  73.277% * 96.6848% (0.99   4.97  52.06) =  99.638%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.32 +/- 0.53  15.138% *  0.9574% (0.18   0.28   0.02) =   0.204%  kept
          HB3   GLU-  29 - HB3   ASN   35   9.66 +/- 0.66   6.944% *  1.4559% (0.92   0.08   0.02) =   0.142%  kept
          HG3   GLU-  29 - HB3   ASN   35  11.57 +/- 0.69   3.933% *  0.2225% (0.57   0.02   0.02) =   0.012%
          HB3   GLU-  79 - HB3   ASN   35  23.60 +/- 3.57   0.511% *  0.3792% (0.97   0.02   0.02) =   0.003%
          HB2   GLN   90 - HB3   ASN   35  31.89 +/- 3.34   0.196% *  0.3003% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.736, support = 5.43, residual support = 45.5:
          QB    GLU-  36 - HB2   ASN   35   5.02 +/- 0.47  25.318% * 65.1934% (0.99  1.00   5.41  52.06) =  66.761%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.34 +/- 0.49  37.816% * 12.1511% (0.18  1.00   5.67  32.71) =  18.586%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.55 +/- 0.35  18.461% * 18.9603% (0.29  1.00   5.43  32.71) =  14.157%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.85 +/- 0.72  10.309% *  0.8385% (0.18  1.00   0.39   0.02) =   0.350%  kept
          HB3   GLU-  29 - HB2   ASN   35  10.85 +/- 0.74   2.411% *  0.9014% (0.92  1.00   0.08   0.02) =   0.088%
        T HB3   GLU-  79 - HB2   ASN   28  17.06 +/- 6.62   1.203% *  0.7303% (0.30 10.00   0.02   0.02) =   0.036%
          HG3   GLU-  29 - HB2   ASN   35  12.69 +/- 0.83   1.513% *  0.1377% (0.57  1.00   0.02   0.02) =   0.008%
        T HB2   GLN   90 - HB2   ASN   28  25.85 +/- 5.15   0.243% *  0.5783% (0.24 10.00   0.02   0.02) =   0.006%
          QB    GLU-  36 - HB2   ASN   28  12.05 +/- 0.90   1.773% *  0.0750% (0.31  1.00   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HB2   ASN   35  23.96 +/- 3.63   0.254% *  0.2348% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   GLN   90 - HB2   ASN   35  32.02 +/- 3.40   0.103% *  0.1859% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  17.44 +/- 1.22   0.596% *  0.0133% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.72, support = 1.89, residual support = 4.2:
          HA    LYS+  33 - HB3   ASN   35   4.24 +/- 0.17  38.649% * 55.3650% (0.92  1.00   1.75   4.66) =  53.523%  kept
          HA    GLN   32 - HB3   ASN   35   3.70 +/- 0.58  53.689% * 34.4407% (0.49  1.00   2.06   3.69) =  46.251%  kept
        T HA    VAL   18 - HB3   ASN   35  16.65 +/- 2.16   0.712% *  6.8452% (1.00 10.00   0.02   0.02) =   0.122%  kept
          HA    GLU-  29 - HB3   ASN   35   8.43 +/- 0.79   4.492% *  0.6800% (0.99  1.00   0.02   0.02) =   0.076%
          HA    VAL   70 - HB3   ASN   35  13.92 +/- 2.27   1.623% *  0.4438% (0.65  1.00   0.02   0.02) =   0.018%
          HB2   SER   82 - HB3   ASN   35  25.47 +/- 7.53   0.302% *  0.6845% (1.00  1.00   0.02   0.02) =   0.005%
          HA    GLN  116 - HB3   ASN   35  25.26 +/- 3.24   0.183% *  0.4438% (0.65  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   ASN   35  29.53 +/- 2.81   0.120% *  0.5243% (0.76  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   ASN   35  29.89 +/- 5.62   0.138% *  0.3609% (0.53  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB3   ASN   35  31.26 +/- 2.36   0.092% *  0.2117% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.94, residual support = 54.7:
      O   HA    ASN   35 - HB3   ASN   35   3.03 +/- 0.04  89.689% * 99.4336% (0.90  10.0   3.94  54.72) =  99.992%  kept
          HA    LYS+  99 - HB3   ASN   35  10.43 +/- 2.19   3.281% *  0.0847% (0.76   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HB3   ASN   35  10.27 +/- 1.01   2.843% *  0.0717% (0.65   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   ASN   35  15.22 +/- 4.40   1.665% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   ASN   35  17.99 +/- 5.91   1.605% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  22.86 +/- 4.94   0.320% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  25.61 +/- 4.37   0.332% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  28.10 +/- 3.32   0.141% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  28.95 +/- 3.31   0.124% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 54.7:
      O   HD21  ASN   35 - HB3   ASN   35   2.55 +/- 0.27  99.223% * 99.8105% (1.00  10.0   3.26  54.72) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  18.64 +/- 2.64   0.349% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.93 +/- 2.21   0.309% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.43 +/- 1.98   0.058% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  32.96 +/- 3.96   0.061% *  0.0249% (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 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 51.8:
          HN    GLU-  36 - HB3   ASN   35   2.85 +/- 0.15  90.193% * 92.6654% (0.97   5.91  52.06) =  99.494%  kept
          HN    THR   39 - HB3   ASN   35   7.12 +/- 0.44   6.260% *  6.6629% (0.90   0.46   0.02) =   0.497%  kept
          HN    LYS+ 102 - HB3   ASN   35  11.26 +/- 3.39   2.422% *  0.2714% (0.84   0.02   0.02) =   0.008%
          HN    TRP   27 - HB3   ASN   35  13.86 +/- 0.87   0.878% *  0.1003% (0.31   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB3   ASN   35  25.20 +/- 6.31   0.247% *  0.2999% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.58 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 = 54.7:
      O   HN    ASN   35 - HB3   ASN   35   2.29 +/- 0.16  99.353% * 99.9102% (0.97  10.0   5.87  54.72) =  99.999%  kept
          HN    ALA   12 - HB3   ASN   35  19.66 +/- 5.47   0.647% *  0.0898% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 54.7:
      O   HD22  ASN   35 - HB3   ASN   35   3.64 +/- 0.13 100.000% *100.0000% (0.99  10.0   3.26  54.72) = 100.000%  kept
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 6.01, residual support = 51.7:
          HN    GLU-  36 - HB2   ASN   35   3.67 +/- 0.26  74.810% * 95.0523% (0.92   6.05  52.06) =  99.308%  kept
          HN    THR   39 - HB2   ASN   35   7.14 +/- 0.51  11.328% *  4.0960% (0.53   0.46   0.02) =   0.648%  kept
          HN    LYS+ 102 - HB2   ASN   35  10.70 +/- 3.83   7.501% *  0.3397% (1.00   0.02   0.02) =   0.036%
          HN    GLU-  36 - HB2   ASN   28  12.46 +/- 0.80   2.003% *  0.0978% (0.29   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   28  16.31 +/- 4.30   1.742% *  0.1057% (0.31   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB2   ASN   35  25.23 +/- 6.40   0.393% *  0.1928% (0.57   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   28  20.25 +/- 7.96   1.072% *  0.0600% (0.18   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   ASN   28  14.85 +/- 0.92   1.153% *  0.0557% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.56, residual support = 86.3:
      O T HA    GLU-  36 - QB    GLU-  36   2.43 +/- 0.17  97.788% * 99.4140% (0.84  10.0 10.00   5.56  86.32) =  99.997%  kept
        T HA    GLU-  36 - HB3   GLU-  29  11.72 +/- 1.07   0.950% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  66 - QB    GLU-  36  20.05 +/- 2.30   0.229% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  25.71 +/- 3.54   0.102% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  21.88 +/- 5.65   0.235% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  23.66 +/- 6.47   0.181% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  22.21 +/- 2.75   0.161% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  27.68 +/- 3.82   0.093% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  26.81 +/- 5.87   0.134% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  28.01 +/- 4.73   0.126% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.445, support = 3.66, residual support = 18.3:
          HN    SER   37 - QB    GLU-  36   3.27 +/- 0.27  60.012% * 90.7708% (0.45   3.71  18.63) =  98.367%  kept
          HN    LYS+  33 - QB    GLU-  36   5.26 +/- 0.30  15.028% *  4.4640% (0.28   0.29   0.02) =   1.211%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.25 +/- 0.94  19.979% *  1.0721% (0.09   0.23   0.02) =   0.387%  kept
          HN    CYS   21 - QB    GLU-  36  15.20 +/- 1.87   0.673% *  1.0524% (0.97   0.02   0.02) =   0.013%
          HN    CYS   21 - HB3   GLU-  29  11.20 +/- 1.03   1.574% *  0.3260% (0.30   0.02   0.02) =   0.009%
          HN    SER   37 - HB3   GLU-  29  10.94 +/- 1.51   1.918% *  0.1515% (0.14   0.02   0.02) =   0.005%
          HN    ILE  119 - QB    GLU-  36  22.34 +/- 3.12   0.229% *  0.9460% (0.87   0.02   0.02) =   0.004%
          HN    ILE   89 - QB    GLU-  36  27.18 +/- 3.90   0.129% *  0.7055% (0.65   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   GLU-  29  25.03 +/- 4.75   0.301% *  0.2931% (0.27   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   GLU-  29  26.74 +/- 5.79   0.158% *  0.2186% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.67 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 = 86.2:
      O   HN    GLU-  36 - QB    GLU-  36   2.09 +/- 0.06  93.482% * 96.5662% (0.69  10.0   7.31  86.32) =  99.879%  kept
          HN    THR   39 - QB    GLU-  36   6.29 +/- 0.27   3.460% *  3.1293% (0.28   1.0   1.60   0.85) =   0.120%  kept
          HN    LYS+ 102 - QB    GLU-  36  12.51 +/- 1.76   0.495% *  0.1219% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   GLU-  29   9.49 +/- 1.10   1.185% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  16.74 +/- 3.49   0.294% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  16.47 +/- 1.67   0.217% *  0.0351% (0.25   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  12.65 +/- 1.71   0.538% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  24.53 +/- 4.91   0.080% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  19.55 +/- 2.54   0.140% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  23.91 +/- 7.12   0.110% *  0.0134% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.82, residual support = 86.3:
          HN    GLU-  36 - HG2   GLU-  36   3.67 +/- 0.32  97.384% * 98.3915% (0.28   4.82  86.32) =  99.980%  kept
          HN    LYS+ 102 - HG2   GLU-  36  14.42 +/- 1.76   1.845% *  0.6584% (0.45   0.02   0.02) =   0.013%
          HN    ASP- 105 - HG2   GLU-  36  19.16 +/- 1.94   0.771% *  0.9500% (0.65   0.02   0.02) =   0.008%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.682, support = 4.77, residual support = 85.3:
          HN    GLU-  36 - HG3   GLU-  36   3.70 +/- 0.54  82.123% * 90.9747% (0.69   4.82  86.32) =  98.781%  kept
          HN    THR   39 - HG3   GLU-  36   7.76 +/- 1.40  11.283% *  8.0782% (0.28   1.06   0.85) =   1.205%  kept
          HN    LYS+ 102 - HG3   GLU-  36  14.52 +/- 1.79   1.594% *  0.4768% (0.87   0.02   0.02) =   0.010%
          HN    ASP- 105 - HG3   GLU-  36  19.09 +/- 1.97   0.789% *  0.1371% (0.25   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    MET   11  17.72 +/- 4.34   1.874% *  0.0470% (0.09   0.02   0.02) =   0.001%
          HD1   TRP   87 - HG3   GLU-  36  28.22 +/- 5.19   0.264% *  0.1696% (0.31   0.02   0.02) =   0.001%
          HN    THR   39 - QB    MET   11  18.62 +/- 4.21   1.226% *  0.0190% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  25.81 +/- 3.93   0.347% *  0.0594% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.22 +/- 3.64   0.278% *  0.0171% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  31.59 +/- 4.42   0.222% *  0.0211% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.05, residual support = 86.3:
      O   HN    GLU-  36 - HA    GLU-  36   2.81 +/- 0.04  98.592% * 99.6076% (0.28  10.0   6.05  86.32) =  99.997%  kept
          HN    LYS+ 102 - HA    GLU-  36  13.39 +/- 1.75   1.025% *  0.1606% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ASP- 105 - HA    GLU-  36  18.20 +/- 1.38   0.383% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB2   SER   37   2.96 +/- 0.36  98.349% * 99.7690% (0.98  10.0   3.80  29.75) =  99.999%  kept
          HN    CYS   21 - HB2   SER   37  15.28 +/- 3.24   1.104% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  21.21 +/- 2.89   0.386% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  27.90 +/- 3.68   0.161% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.531, support = 0.02, residual support = 0.02:
          HN    GLU-  29 - HB3   SER   37  13.25 +/- 1.73  12.627% * 22.4691% (0.82   0.02   0.02) =  24.587%  kept
          HN    GLN   30 - HB3   SER   37  11.18 +/- 1.65  21.770% * 12.9780% (0.47   0.02   0.02) =  24.484%  kept
          HN    GLU-  29 - QB    SER   13  14.90 +/- 4.75  13.525% * 17.1942% (0.63   0.02   0.02) =  20.152%  kept
          HN    VAL   18 - QB    SER   13  10.13 +/- 2.31  26.586% *  4.8772% (0.18   0.02   0.02) =  11.237%  kept
          HN    GLN   30 - QB    SER   13  14.01 +/- 4.11  11.953% *  9.9312% (0.36   0.02   0.02) =  10.287%  kept
          HN    VAL   18 - HB3   SER   37  16.07 +/- 4.55  10.631% *  6.3735% (0.23   0.02   0.02) =   5.872%  kept
          HN    ASP-  86 - HB3   SER   37  27.91 +/- 4.55   1.729% * 14.8290% (0.54   0.02   0.02) =   2.222%  kept
          HN    ASP-  86 - QB    SER   13  29.67 +/- 3.91   1.179% * 11.3477% (0.41   0.02   0.02) =   1.160%  kept
    Distance limit 3.94 A violated in 16 structures by 3.92 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.914, support = 6.62, residual support = 218.3:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.01  76.960% * 91.8754% (0.92  10.0   6.63 221.00) =  98.643%  kept
          HN    SER   37 - HA    LYS+  38   4.13 +/- 0.18  12.104% *  8.0290% (0.25   1.0   6.47  20.77) =   1.356%  kept
          HN    LYS+  38 - HA    GLU- 100   7.01 +/- 2.71   5.318% *  0.0056% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.46 +/- 1.07   0.813% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.99 +/- 2.79   2.678% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  20.53 +/- 3.01   0.134% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  28.59 +/- 3.58   0.047% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  11.23 +/- 3.71   1.791% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.59 +/- 3.70   0.114% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.51 +/- 2.99   0.042% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.44, residual support = 30.0:
      O   HN    THR   39 - HA    LYS+  38   3.05 +/- 0.06  57.864% * 93.7486% (0.92  10.0   6.50  30.37) =  98.830%  kept
          HN    GLU-  36 - HA    LYS+  38   5.43 +/- 0.20  10.397% *  5.5324% (0.95   1.0   1.15   1.81) =   1.048%  kept
          HN    LYS+ 102 - HA    GLU- 100   5.59 +/- 0.94  13.090% *  0.4876% (0.05   1.0   1.98   0.02) =   0.116%  kept
          HN    LYS+ 102 - HA    LYS+  38  10.18 +/- 2.16   2.182% *  0.0813% (0.80   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100   6.92 +/- 2.69  10.699% *  0.0057% (0.06   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    GLU- 100   8.53 +/- 2.86   4.348% *  0.0058% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.19 +/- 1.40   0.426% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  24.85 +/- 4.81   0.143% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  22.34 +/- 5.47   0.270% *  0.0058% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  16.87 +/- 3.35   0.580% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 5.5, residual support = 20.8:
          HN    SER   37 - HB2   LYS+  38   4.69 +/- 0.15  96.593% * 99.2378% (1.00   5.50  20.77) =  99.992%  kept
          HN    ILE  119 - HB2   LYS+  38  22.00 +/- 3.04   1.207% *  0.2897% (0.80   0.02   0.02) =   0.004%
          HN    CYS   21 - HB2   LYS+  38  19.21 +/- 2.49   1.766% *  0.1234% (0.34   0.02   0.02) =   0.002%
          HN    ILE   89 - HB2   LYS+  38  29.97 +/- 3.69   0.434% *  0.3491% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.84 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.489, support = 5.55, residual support = 27.5:
          HN    THR   39 - HB2   LYS+  38   4.31 +/- 0.18  71.087% * 75.1448% (0.45   6.05  30.37) =  90.112%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.32 +/- 0.41  24.281% * 24.0421% (0.87   1.00   1.81) =   9.848%  kept
          HN    LYS+ 102 - HB2   LYS+  38  12.09 +/- 1.88   4.261% *  0.5434% (0.98   0.02   0.02) =   0.039%
          HD1   TRP   87 - HB2   LYS+  38  27.11 +/- 4.63   0.370% *  0.2698% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.79 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.755, support = 5.74, residual support = 199.4:
          HN    LYS+  38 - HG2   LYS+  38   3.30 +/- 0.30  66.402% * 71.6941% (0.80   5.85 221.00) =  89.192%  kept
          HN    SER   37 - HG2   LYS+  38   4.89 +/- 0.18  20.589% * 27.9882% (0.38   4.87  20.77) =  10.796%  kept
          HN    LYS+  38 - HG2   LYS+  99   8.12 +/- 1.73   5.899% *  0.0668% (0.22   0.02   0.02) =   0.007%
          HN    SER   37 - HG2   LYS+  99   9.32 +/- 2.30   6.517% *  0.0313% (0.10   0.02   0.02) =   0.004%
          HN    ARG+  54 - HG2   LYS+  38  30.35 +/- 3.89   0.113% *  0.1044% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  29.70 +/- 3.76   0.116% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  26.66 +/- 3.35   0.160% *  0.0285% (0.09   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  25.24 +/- 3.95   0.203% *  0.0186% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.743, support = 5.72, residual support = 193.8:
          HN    LYS+  38 - HG3   LYS+  38   4.30 +/- 0.08  57.449% * 69.5785% (0.80   5.78 221.00) =  86.412%  kept
          HN    SER   37 - HG3   LYS+  38   6.04 +/- 0.18  20.801% * 30.1975% (0.38   5.35  20.77) =  13.579%  kept
          HN    LYS+  38 - HG3   LYS+  99   8.72 +/- 1.99  10.114% *  0.0251% (0.08   0.02   0.02) =   0.005%
          HN    SER   37 - HG3   LYS+  99   9.94 +/- 2.55  10.501% *  0.0118% (0.04   0.02   0.02) =   0.003%
          HN    ARG+  54 - HG3   LYS+  38  30.25 +/- 3.94   0.236% *  0.1025% (0.34   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  38  29.63 +/- 3.54   0.203% *  0.0669% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  26.22 +/- 3.68   0.327% *  0.0107% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.10 +/- 3.95   0.369% *  0.0070% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.959, support = 3.93, residual support = 38.4:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.03  76.854% * 94.8647% (0.97  10.0   3.93  38.54) =  99.109%  kept
          HN    LYS+ 102 - HA    ILE  103   5.15 +/- 0.32  13.795% *  4.7132% (0.24   1.0   4.00  23.65) =   0.884%  kept
          HN    GLU-  36 - HA    THR   39   8.40 +/- 0.32   3.108% *  0.0882% (0.90   1.0   0.02   0.85) =   0.004%
          HN    LYS+ 102 - HA    THR   39  11.36 +/- 1.65   1.797% *  0.0714% (0.73   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HA    ILE  103  12.20 +/- 0.88   1.065% *  0.0313% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  16.02 +/- 5.14   0.982% *  0.0318% (0.32   1.0   0.02   4.66) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.38 +/- 1.74   0.715% *  0.0291% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.26 +/- 1.61   0.480% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.73 +/- 4.19   0.175% *  0.0964% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  16.28 +/- 3.64   0.704% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.76 +/- 1.55   0.088% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.68 +/- 2.32   0.237% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.18, residual support = 24.0:
      O   HN    LEU   40 - HA    THR   39   2.25 +/- 0.07  92.297% * 99.8247% (0.57  10.0   4.18  23.99) =  99.995%  kept
          HN    GLY  101 - HA    THR   39   9.60 +/- 2.01   2.484% *  0.1069% (0.61   1.0   0.02   0.02) =   0.003%
          HN    GLY  101 - HA    ILE  103   6.57 +/- 0.72   4.171% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    LEU   40 - HA    ILE  103  10.95 +/- 1.29   1.048% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 3.93, residual support = 38.5:
      O   HN    THR   39 - HB    THR   39   2.91 +/- 0.63  90.122% * 99.6727% (0.97  10.0   3.93  38.54) =  99.991%  kept
          HN    GLU-  36 - HB    THR   39   7.81 +/- 1.00   5.046% *  0.0926% (0.90   1.0   0.02   0.85) =   0.005%
          HN    LYS+ 102 - HB    THR   39  11.73 +/- 1.72   3.116% *  0.0750% (0.73   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - HB    THR   39  14.79 +/- 2.33   1.253% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB    THR   39  23.23 +/- 4.11   0.308% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  27.27 +/- 1.50   0.155% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.07, residual support = 24.0:
          HN    LEU   40 - HB    THR   39   3.79 +/- 0.51  91.454% * 99.9123% (0.98   4.07  23.99) =  99.992%  kept
          HN    GLY  101 - HB    THR   39  10.03 +/- 2.16   8.546% *  0.0877% (0.18   0.02   0.02) =   0.008%
    Distance limit 3.94 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.585, support = 0.153, residual support = 0.145:
          HN    LEU   71 - QG2   THR   39   5.41 +/- 2.60  48.851% * 47.4139% (0.60   0.16   0.15) =  92.539%  kept
          HN    GLU- 114 - QG2   THR   23  23.35 +/- 5.01   9.066% *  4.6307% (0.48   0.02   0.02) =   1.677%  kept
          HN    GLN  116 - QG2   THR   23  22.04 +/- 4.83   5.616% *  3.9460% (0.41   0.02   0.02) =   0.885%  kept
          HN    THR  118 - QG2   THR   39  16.51 +/- 2.55   3.289% *  4.7664% (0.49   0.02   0.02) =   0.626%  kept
          HN    GLN  116 - QG2   THR   39  18.22 +/- 2.12   2.141% *  7.0321% (0.72   0.02   0.02) =   0.602%  kept
          HN    GLU- 114 - QB    ALA   91  14.80 +/- 1.80   3.751% *  3.8969% (0.40   0.02   0.02) =   0.584%  kept
          HN    GLU- 114 - QG2   THR   39  20.00 +/- 2.76   1.700% *  8.2523% (0.85   0.02   0.02) =   0.561%  kept
          HN    LEU   71 - QG2   THR   23  15.27 +/- 1.93   3.980% *  3.2451% (0.33   0.02   0.02) =   0.516%  kept
          HN    THR  118 - QG2   THR   23  21.58 +/- 4.72   4.040% *  2.6747% (0.28   0.02   0.02) =   0.432%  kept
          HN    GLN  116 - QB    ALA   91  15.29 +/- 1.96   3.042% *  3.3207% (0.34   0.02   0.02) =   0.404%  kept
          HN    PHE   60 - QG2   THR   39  15.57 +/- 1.41   2.952% *  2.8718% (0.30   0.02   0.02) =   0.339%  kept
          HN    PHE   60 - QB    ALA   91  13.86 +/- 2.56   4.200% *  1.3561% (0.14   0.02   0.02) =   0.228%  kept
          HN    PHE   60 - QG2   THR   23  17.69 +/- 3.58   3.392% *  1.6115% (0.17   0.02   0.02) =   0.218%  kept
          HN    THR  118 - QB    ALA   91  16.70 +/- 1.79   2.282% *  2.2508% (0.23   0.02   0.02) =   0.205%  kept
          HN    LEU   71 - QB    ALA   91  19.44 +/- 1.52   1.697% *  2.7309% (0.28   0.02   0.02) =   0.185%  kept
    Distance limit 3.48 A violated in 10 structures by 1.58 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.99, residual support = 24.0:
          HN    LEU   40 - QG2   THR   39   3.39 +/- 0.63  98.142% * 99.4853% (0.66   3.99  23.99) =  99.995%  kept
          HN    LEU   40 - QG2   THR   23  16.77 +/- 2.45   1.337% *  0.2795% (0.37   0.02   0.02) =   0.004%
          HN    LEU   40 - QB    ALA   91  21.48 +/- 1.36   0.520% *  0.2352% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.587, support = 3.62, residual support = 16.3:
      O   HN    ALA   91 - QB    ALA   91   2.47 +/- 0.19  46.655% * 88.1707% (0.61  10.0   3.61  14.40) =  91.766%  kept
          HN    THR   39 - QG2   THR   39   2.82 +/- 0.51  35.278% * 10.2650% (0.38   1.0   3.73  38.54) =   8.078%  kept
          HN    TRP   27 - QG2   THR   23   4.78 +/- 0.78   9.552% *  0.6970% (0.10   1.0   0.99   1.30) =   0.149%  kept
          HD1   TRP   87 - QB    ALA   91   9.12 +/- 0.75   0.989% *  0.1111% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   THR   39   6.69 +/- 0.85   2.494% *  0.0258% (0.18   1.0   0.02   0.85) =   0.001%
          HN    TRP   27 - QG2   THR   39  12.48 +/- 2.44   0.496% *  0.0634% (0.44   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA   91  14.15 +/- 2.51   0.339% *  0.0765% (0.53   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA   91  11.02 +/- 1.77   0.676% *  0.0362% (0.25   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QB    ALA   91  18.45 +/- 3.31   0.154% *  0.1342% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.13 +/- 1.49   0.983% *  0.0153% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.83 +/- 1.79   0.259% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  19.66 +/- 3.64   0.129% *  0.0525% (0.36   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.46 +/- 1.00   0.055% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  17.52 +/- 5.80   0.251% *  0.0117% (0.08   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.25 +/- 2.17   0.214% *  0.0122% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  21.18 +/- 1.97   0.081% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  22.95 +/- 1.56   0.062% *  0.0416% (0.29   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  25.22 +/- 1.43   0.047% *  0.0546% (0.38   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  20.05 +/- 4.64   0.142% *  0.0171% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.65 +/- 2.77   0.212% *  0.0080% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  18.63 +/- 3.99   0.451% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.50 +/- 1.32   0.212% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  19.45 +/- 3.52   0.130% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  20.17 +/- 5.50   0.140% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 3.67, residual support = 14.7:
          HN    MET   92 - QB    ALA   91   3.25 +/- 0.54  72.079% * 97.0873% (0.87   3.68  14.69) =  99.868%  kept
          HN    THR   46 - QB    ALA   91   7.22 +/- 1.19  11.212% *  0.5969% (0.98   0.02   0.02) =   0.096%
          HN    LYS+  74 - QG2   THR   39  11.11 +/- 1.81   2.823% *  0.2494% (0.41   0.02   0.02) =   0.010%
          HN    LYS+  74 - QB    ALA   91  14.09 +/- 1.11   1.081% *  0.5282% (0.87   0.02   0.02) =   0.008%
          HN    LYS+ 112 - QB    ALA   91  12.92 +/- 2.10   1.862% *  0.2077% (0.34   0.02   0.02) =   0.006%
          HN    LYS+  74 - QG2   THR   23  10.44 +/- 3.14   4.229% *  0.0555% (0.09   0.02   0.02) =   0.003%
          HN    THR   46 - QG2   THR   39  17.05 +/- 1.40   0.622% *  0.2819% (0.46   0.02   0.02) =   0.003%
          HN    MET   11 - QG2   THR   39  17.61 +/- 3.91   0.823% *  0.1513% (0.25   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   39  20.92 +/- 1.39   0.347% *  0.2494% (0.41   0.02   0.02) =   0.001%
          HN    THR   46 - QG2   THR   23  14.92 +/- 3.03   1.186% *  0.0628% (0.10   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   23  16.82 +/- 4.00   1.236% *  0.0337% (0.06   0.02   0.02) =   0.001%
          HN    MET   11 - QB    ALA   91  30.78 +/- 3.17   0.122% *  0.3204% (0.53   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   39  21.29 +/- 2.65   0.380% *  0.0981% (0.16   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   23  18.52 +/- 3.11   0.664% *  0.0555% (0.09   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   23  23.32 +/- 4.55   1.335% *  0.0218% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.653, support = 5.19, residual support = 80.5:
          HA    LEU   40 - QD2   LEU   40   2.42 +/- 0.61  60.795% * 59.4093% (0.61   6.01 102.23) =  76.351%  kept
          HA    LYS+  99 - QD2   LEU   40   3.94 +/- 1.47  32.975% * 33.5113% (0.80   2.57  10.27) =  23.360%  kept
          HA    LEU  123 - QD2   LEU   40  11.64 +/- 5.29   2.156% *  5.9097% (0.99   0.37   0.02) =   0.269%  kept
          HA    ASN   35 - QD2   LEU   40   8.42 +/- 1.31   1.882% *  0.3010% (0.92   0.02   0.02) =   0.012%
          HA    ILE   56 - QD2   LEU   40  15.38 +/- 2.32   0.367% *  0.3084% (0.95   0.02   0.02) =   0.002%
          HA    PRO   58 - QD2   LEU   40  13.99 +/- 3.30   0.706% *  0.1462% (0.45   0.02   0.02) =   0.002%
          HA    GLU-  15 - QD2   LEU   40  13.41 +/- 2.76   0.576% *  0.1340% (0.41   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD2   LEU   40  15.29 +/- 1.83   0.345% *  0.1462% (0.45   0.02   0.02) =   0.001%
          HA    SER   13 - QD2   LEU   40  17.32 +/- 2.72   0.197% *  0.1340% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.981, support = 4.49, residual support = 100.4:
          HA    LEU   40 - QD1   LEU   40   3.45 +/- 0.61  54.063% * 91.1645% (0.99   4.56 102.23) =  98.144%  kept
          HA    LEU  123 - QD1   LEU   40  11.32 +/- 5.38  10.226% *  4.3817% (0.61   0.36   0.02) =   0.892%  kept
          HA    LYS+  99 - QD1   LEU   40   5.87 +/- 1.47  17.186% *  2.5823% (0.31   0.42  10.27) =   0.884%  kept
          HA    ASN   35 - QD1   LEU   40   9.24 +/- 1.26   5.773% *  0.1807% (0.45   0.02   0.02) =   0.021%
          HA    PRO   58 - QD1   LEU   40  13.16 +/- 2.72   2.308% *  0.3720% (0.92   0.02   0.02) =   0.017%
          HA    GLU-  15 - QD1   LEU   40  12.34 +/- 3.14   2.006% *  0.3614% (0.90   0.02   0.02) =   0.014%
          HA    SER   13 - QD1   LEU   40  16.30 +/- 3.08   1.012% *  0.3614% (0.90   0.02   0.02) =   0.007%
          HA    GLN   17 - QD1   LEU   40  12.07 +/- 4.10   2.913% *  0.1244% (0.31   0.02   0.02) =   0.007%
          HA    SER   37 - QD1   LEU   40  10.26 +/- 0.71   2.504% *  0.1244% (0.31   0.02   0.52) =   0.006%
          HA    ILE   56 - QD1   LEU   40  14.71 +/- 2.25   1.106% *  0.1961% (0.49   0.02   0.02) =   0.004%
          HA    THR   46 - QD1   LEU   40  14.35 +/- 1.56   0.902% *  0.1512% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.681, support = 0.51, residual support = 2.39:
        T HB3   HIS  122 - QD1   LEU   40   8.22 +/- 5.62  39.908% * 95.9975% (0.69 10.00   0.51   2.43) =  98.339%  kept
          QE    LYS+ 121 - QD1   LEU   40  10.24 +/- 3.51  17.465% *  3.3340% (0.34  1.00   0.36   0.02) =   1.495%  kept
          HB3   ASP-  78 - QD1   LEU   40  17.66 +/- 1.91   6.391% *  0.4890% (0.90  1.00   0.02   0.02) =   0.080%
          QE    LYS+  74 - QD1   LEU   40  10.19 +/- 1.63  28.341% *  0.0955% (0.18  1.00   0.02   0.02) =   0.069%
          QB    CYS   50 - QD1   LEU   40  15.84 +/- 2.32   7.896% *  0.0841% (0.15  1.00   0.02   0.02) =   0.017%
    Distance limit 3.85 A violated in 9 structures by 3.71 A, kept.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.911, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   8.76 +/- 2.09  38.489% * 27.6510% (1.00   0.02   0.02) =  42.598%  kept
          QD    PHE   59 - QD1   LEU   40   8.76 +/- 2.05  40.759% * 23.0961% (0.84   0.02   0.02) =  37.679%  kept
          HD1   TRP   27 - QD1   LEU   40  12.69 +/- 2.24  16.348% * 23.0961% (0.84   0.02   0.02) =  15.113%  kept
          HH2   TRP   49 - QD1   LEU   40  19.14 +/- 3.44   4.404% * 26.1568% (0.95   0.02   0.02) =   4.610%  kept
    Distance limit 3.88 A violated in 20 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.908, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.42 +/- 2.10  37.089% * 27.6510% (1.00   0.02   0.02) =  41.144%  kept
          QD    PHE   59 - QD2   LEU   40   9.31 +/- 2.28  42.431% * 23.0961% (0.84   0.02   0.02) =  39.315%  kept
          HD1   TRP   27 - QD2   LEU   40  13.03 +/- 2.04  15.886% * 23.0961% (0.84   0.02   0.02) =  14.719%  kept
          HH2   TRP   49 - QD2   LEU   40  19.80 +/- 3.00   4.595% * 26.1568% (0.95   0.02   0.02) =   4.821%  kept
    Distance limit 3.69 A violated in 19 structures by 4.06 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.67, residual support = 21.0:
          HN    VAL   41 - QD2   LEU   40   2.56 +/- 0.77 100.000% *100.0000% (0.73   4.67  20.98) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.78, residual support = 9.79:
          HN    LEU   98 - QD2   LEU   40   3.66 +/- 0.94 100.000% *100.0000% (0.97   4.78   9.79) = 100.000%  kept
    Distance limit 3.65 A violated in 2 structures by 0.35 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.82, residual support = 102.2:
      O   HN    LEU   40 - HB3   LEU   40   2.44 +/- 0.44  96.178% * 99.9683% (0.98  10.0   4.82 102.23) =  99.999%  kept
          HN    GLY  101 - HB3   LEU   40  10.12 +/- 1.68   3.071% *  0.0179% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HB3   LEU  115  17.57 +/- 1.85   0.496% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  19.97 +/- 1.71   0.256% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 4.92, residual support = 102.2:
      O   HN    LEU   40 - HB2   LEU   40   2.72 +/- 0.31  97.271% * 99.9908% (0.76  10.0   4.92 102.23) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67  10.75 +/- 3.35   2.729% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.98, residual support = 35.7:
          QG2   VAL   70 - HB2   LEU   40   4.79 +/- 2.76  51.424% * 99.9538% (0.80   3.99  35.76) =  99.956%  kept
          QG2   VAL   70 - HB2   LEU   67   4.83 +/- 1.55  48.576% *  0.0462% (0.07   0.02   0.29) =   0.044%
    Distance limit 3.63 A violated in 2 structures by 1.27 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.7:
        T QG2   VAL   70 - HB3   LEU   40   4.13 +/- 2.74  80.888% * 99.8828% (0.98 10.00   3.99  35.76) =  99.972%  kept
        T QG2   VAL   70 - HB3   LEU  115  11.00 +/- 1.73  19.112% *  0.1172% (0.12 10.00   0.02   0.02) =   0.028%
    Distance limit 3.78 A violated in 2 structures by 0.81 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.23, support = 4.88, residual support = 91.8:
      O T HA    LEU   40 - HG    LEU   40   3.51 +/- 0.29  39.364% * 65.6286% (0.18  10.0 10.00   5.39 102.23) =  89.222%  kept
          HA    ASP- 113 - HG    LEU  115   6.15 +/- 1.37  12.956% *  9.9426% (0.53   1.0  1.00   0.99   0.02) =   4.449%  kept
          HA    LYS+  99 - HG    LEU   40   6.37 +/- 1.97  11.864% *  9.7718% (0.98   1.0  1.00   0.53  10.27) =   4.004%  kept
          HA    ILE   56 - HG    LEU  115   6.58 +/- 1.57   7.835% *  5.3283% (0.50   1.0  1.00   0.57   0.02) =   1.442%  kept
          HA    PHE   59 - HG    LEU  115   6.51 +/- 1.30   9.256% *  1.8326% (0.20   1.0  1.00   0.50  28.43) =   0.586%  kept
        T HA    ASN   35 - HG    LEU   40  10.64 +/- 1.41   1.867% *  3.3608% (0.90   1.0 10.00   0.02   0.02) =   0.217%  kept
          HA    LEU  123 - HG    LEU   40  14.10 +/- 6.52   2.689% *  0.2864% (0.76   1.0  1.00   0.02   0.02) =   0.027%
        T HA    ASN   35 - HG    LEU  115  23.22 +/- 2.69   0.177% *  1.9458% (0.52   1.0 10.00   0.02   0.02) =   0.012%
          HA    PHE   59 - HG    LEU   40  13.06 +/- 3.26   1.475% *  0.1278% (0.34   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LEU   40 - HG    LEU  115  16.94 +/- 1.78   0.413% *  0.3800% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          HA    ASP- 113 - HG    LEU   40  18.61 +/- 2.45   0.393% *  0.3459% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - HG    LEU  115  13.75 +/- 1.34   0.757% *  0.1658% (0.44   1.0  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HG    LEU   40  18.18 +/- 2.33   0.353% *  0.3251% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+  99 - HG    LEU   73  13.30 +/- 2.71   1.546% *  0.0685% (0.18   1.0  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HG    LEU   73  17.45 +/- 5.37   1.583% *  0.0606% (0.16   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - HG    LEU   73  20.78 +/- 6.56   1.333% *  0.0645% (0.17   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HG    LEU  115  17.97 +/- 1.26   0.334% *  0.2127% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   59 - HG    LEU   73  14.00 +/- 4.11   2.662% *  0.0238% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HG    LEU   73  14.56 +/- 2.46   0.781% *  0.0627% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HG    LEU   73  11.19 +/- 2.07   2.057% *  0.0122% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  19.77 +/- 3.39   0.306% *  0.0534% (0.14   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.952, support = 6.18, residual support = 34.5:
        T QG2   VAL   70 - HG    LEU   40   3.69 +/- 2.97  71.061% * 83.8767% (0.98 10.00   6.32  35.76) =  96.374%  kept
        T QG2   VAL   70 - HG    LEU   73   7.61 +/- 1.21  13.873% * 15.6376% (0.18 10.00   2.59   0.73) =   3.508%  kept
        T QG2   VAL   70 - HG    LEU  115  11.35 +/- 2.13  15.066% *  0.4856% (0.57 10.00   0.02   0.02) =   0.118%  kept
    Distance limit 3.52 A violated in 1 structures by 0.26 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.19, residual support = 35.8:
          QG2   VAL   70 - QD1   LEU   40   2.73 +/- 2.22 100.000% *100.0000% (0.80   4.19  35.76) = 100.000%  kept
    Distance limit 2.98 A violated in 2 structures by 0.59 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.4, residual support = 35.8:
          QG2   VAL   70 - QD2   LEU   40   4.19 +/- 2.00 100.000% *100.0000% (0.53   4.40  35.76) = 100.000%  kept
    Distance limit 3.29 A violated in 3 structures by 0.96 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  10.17 +/- 1.99 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.67 A violated in 20 structures by 7.50 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.734, support = 4.67, residual support = 102.2:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  66.887% * 41.2301% (0.65  10.0 10.00   4.12 102.23) =  65.153%  kept
      O   HB3   LEU   40 - QD2   LEU   40   3.00 +/- 0.31  25.773% * 57.1589% (0.90  10.0  1.00   5.71 102.23) =  34.804%  kept
        T HG    LEU   73 - QD2   LEU   40   9.75 +/- 2.49   2.032% *  0.6266% (0.20   1.0 10.00   0.10   0.02) =   0.030%
        T HG    LEU  115 - QD2   LEU   40  12.22 +/- 1.48   0.400% *  0.6359% (1.00   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LYS+  74 - QD2   LEU   40  12.04 +/- 2.36   0.644% *  0.1772% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QD2   LEU   40   8.96 +/- 2.50   1.901% *  0.0487% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD2   LEU   40  10.47 +/- 2.96   0.832% *  0.0636% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD2   LEU   40  11.58 +/- 1.63   0.552% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD2   LEU   40   9.64 +/- 1.52   0.978% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.259, support = 2.18, residual support = 10.3:
        T HB2   LYS+  99 - QD2   LEU   40   3.92 +/- 1.10  49.840% * 56.5423% (0.28 10.00   2.35  10.27) =  64.927%  kept
        T HB3   LYS+  99 - QD2   LEU   40   4.57 +/- 1.59  35.729% * 42.4016% (0.22 10.00   1.87  10.27) =  34.904%  kept
          HB    VAL   43 - QD2   LEU   40   8.37 +/- 1.13   8.414% *  0.8386% (0.38  1.00   0.22   0.02) =   0.163%  kept
          QG1   ILE   56 - QD2   LEU   40  11.67 +/- 2.31   4.526% *  0.0314% (0.15  1.00   0.02   0.02) =   0.003%
          HB    ILE   89 - QD2   LEU   40  17.33 +/- 2.77   0.821% *  0.1233% (0.61  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QD2   LEU   40  19.42 +/- 1.78   0.670% *  0.0628% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 1 structures by 0.63 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.312, support = 1.23, residual support = 2.38:
          HB2   HIS  122 - QD2   LEU   40   8.41 +/- 5.52  46.636% * 93.8691% (0.31   1.26   2.43) =  97.900%  kept
          HA    LYS+ 112 - QD2   LEU   40  14.35 +/- 1.60  13.722% *  2.7387% (0.57   0.02   0.02) =   0.840%  kept
          HB2   HIS   22 - QD2   LEU   40  16.87 +/- 2.75  13.396% *  2.5451% (0.53   0.02   0.02) =   0.762%  kept
          HA    LEU   63 - QD2   LEU   40  10.10 +/- 2.41  26.246% *  0.8472% (0.18   0.02   0.02) =   0.497%  kept
    Distance limit 3.64 A violated in 13 structures by 2.97 A, kept.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.696, support = 3.05, residual support = 9.87:
          QE    LYS+  99 - QD2   LEU   40   3.22 +/- 1.15  74.042% * 84.4725% (0.69   3.16  10.27) =  95.878%  kept
          QE    LYS+  38 - QD2   LEU   40   7.90 +/- 1.51  17.802% * 14.7498% (0.92   0.41   0.59) =   4.025%  kept
          QE    LYS+ 102 - QD2   LEU   40   9.26 +/- 1.41   8.156% *  0.7776% (1.00   0.02   0.02) =   0.097%
    Distance limit 4.08 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.841, support = 1.22, residual support = 1.59:
        T HB3   PHE   97 - QD2   LEU   40   5.51 +/- 1.28  48.080% * 91.5002% (0.84 10.00   1.24   1.65) =  95.975%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.59 +/- 1.67  22.463% *  8.0906% (0.99  1.00   0.92   0.02) =   3.965%  kept
          QG    GLU-  79 - QD2   LEU   40  15.08 +/- 2.58   9.243% *  0.1146% (0.65  1.00   0.02   0.02) =   0.023%
          HB2   GLN  116 - QD2   LEU   40  14.11 +/- 1.72   4.101% *  0.1676% (0.95  1.00   0.02   0.02) =   0.015%
          HB2   PRO   58 - QD2   LEU   40  14.44 +/- 3.47   9.515% *  0.0665% (0.38  1.00   0.02   0.02) =   0.014%
          QG    GLN   32 - QD2   LEU   40  11.46 +/- 1.48   6.598% *  0.0604% (0.34  1.00   0.02   0.02) =   0.009%
    Distance limit 4.35 A violated in 7 structures by 0.98 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.38, residual support = 102.2:
      O T HB2   LEU   40 - QD1   LEU   40   2.80 +/- 0.35  79.249% * 99.2435% (0.84  10.0 10.00   4.39 102.23) =  99.923%  kept
        T HB2   LEU   67 - QD1   LEU   40   7.37 +/- 2.92  11.184% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.069%
          HB    VAL   18 - QD1   LEU   40  11.43 +/- 3.98   3.499% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HB3   MET   96 - QD1   LEU   40   8.90 +/- 1.39   4.204% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ARG+  54 - QD1   LEU   40  17.88 +/- 4.13   0.969% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD1   LEU   40  14.77 +/- 3.16   0.894% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.43, residual support = 102.1:
      O   HB2   LEU   40 - QD2   LEU   40   2.48 +/- 0.38  93.370% * 96.6350% (0.34  10.0  1.00   5.44 102.23) =  99.913%  kept
        T HB2   LEU   67 - QD2   LEU   40   9.14 +/- 2.61   2.760% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.078%
          HB    VAL   18 - QD2   LEU   40  12.86 +/- 3.43   1.323% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU  115 - QD2   LEU   40  12.31 +/- 1.58   1.340% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD2   LEU   40  18.80 +/- 4.09   0.564% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD2   LEU   40  15.93 +/- 3.10   0.641% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.776, support = 3.94, residual support = 102.2:
      O T HB3   LEU   40 - QD1   LEU   40   2.38 +/- 0.39  39.816% * 57.4671% (0.90  10.0 10.00   3.60 102.23) =  51.905%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.01  51.089% * 41.4524% (0.65  10.0  1.00   4.30 102.23) =  48.042%  kept
        T HG    LEU   67 - QD1   LEU   40   7.30 +/- 2.61   4.163% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.046%
        T HB3   LEU  115 - QD1   LEU   40  11.38 +/- 1.68   0.424% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QD1   LEU   40  10.48 +/- 3.03   0.781% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   LEU   40   8.88 +/- 2.50   2.197% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - QD1   LEU   40  11.95 +/- 1.76   0.336% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  10.76 +/- 2.41   0.739% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  11.31 +/- 1.72   0.455% *  0.0178% (0.28   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 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.929, support = 4.38, residual support = 99.0:
      O T QD1   LEU   40 - HB2   LEU   40   2.80 +/- 0.35  45.116% * 92.1745% (1.00  10.0 10.00   4.39 102.23) =  92.298%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.79 +/- 0.42  45.439% *  7.6201% (0.08  10.0  1.00   4.26  60.35) =   7.685%  kept
        T QD1   LEU   40 - HB2   LEU   67   7.37 +/- 2.92   6.080% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.011%
          QD2   LEU   67 - HB2   LEU   40   9.06 +/- 2.69   2.675% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL  108 - HB2   LEU   40  17.09 +/- 1.82   0.328% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  18.06 +/- 3.20   0.363% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 102.2:
      O T QD1   LEU   40 - HB3   LEU   40   2.38 +/- 0.39  91.131% * 99.7412% (1.00  10.0 10.00   3.60 102.23) =  99.994%  kept
          QD2   LEU   67 - HB3   LEU   40   8.39 +/- 2.81   3.848% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU   40 - HB3   LEU  115  11.38 +/- 1.68   1.156% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   67 - HB3   LEU  115  12.46 +/- 2.96   1.518% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.11 +/- 2.02   0.368% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   9.31 +/- 1.45   1.979% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.862, support = 4.1, residual support = 101.5:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  56.167% * 87.9435% (0.87  10.0 10.00   4.12 102.23) =  99.216%  kept
          QD1   ILE  119 - HG    LEU  115   4.82 +/- 1.65  13.967% *  1.1726% (0.10   1.0  1.00   2.28   8.05) =   0.329%  kept
          QD2   LEU   71 - HG    LEU   40   6.93 +/- 2.89  11.153% *  1.1102% (0.18   1.0  1.00   1.25   1.80) =   0.249%  kept
        T QD1   LEU   67 - HG    LEU   73   9.07 +/- 1.31   0.924% *  6.4612% (0.16   1.0 10.00   0.82   0.02) =   0.120%  kept
        T QD1   LEU   67 - HG    LEU   40   7.55 +/- 2.90   3.678% *  0.8468% (0.84   1.0 10.00   0.02   0.02) =   0.063%
        T QD2   LEU   40 - HG    LEU   73   9.75 +/- 2.49   1.730% *  0.1640% (0.16   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   67 - HG    LEU  115  11.58 +/- 2.81   0.565% *  0.4903% (0.48   1.0 10.00   0.02   0.02) =   0.006%
        T QD2   LEU   40 - HG    LEU  115  12.22 +/- 1.48   0.336% *  0.5092% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  74 - HG    LEU   40  14.28 +/- 2.54   0.270% *  0.6149% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  74 - HG    LEU  115  15.66 +/- 3.51   0.247% *  0.3560% (0.35   1.0 10.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HG    LEU   40   9.40 +/- 1.32   0.874% *  0.0736% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   40  12.36 +/- 1.13   0.300% *  0.0879% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG    LEU  115  15.08 +/- 3.58   2.467% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   7.87 +/- 1.04   1.369% *  0.0164% (0.16   1.0  1.00   0.02   1.74) =   0.000%
          HB    VAL   75 - HG    LEU  115  13.50 +/- 1.99   0.262% *  0.0509% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  12.45 +/- 1.42   0.300% *  0.0426% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.57 +/- 0.87   0.996% *  0.0115% (0.11   1.0  1.00   0.02  41.66) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.35 +/- 3.07   0.591% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   7.73 +/- 1.76   2.489% *  0.0033% (0.03   1.0  1.00   0.02   1.64) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.81 +/- 2.46   0.487% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.51 +/- 3.91   0.827% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.862, support = 3.89, residual support = 74.4:
      O T QG2   VAL   41 - QG1   VAL   41   2.05 +/- 0.06  48.042% * 93.3061% (0.87  10.0 10.00   3.97  75.81) =  97.252%  kept
          QD2   LEU   98 - QG1   VAL   41   3.45 +/- 1.74  28.762% *  4.2820% (0.69   1.0  1.00   1.16  26.53) =   2.672%  kept
        T QD1   LEU   73 - QG1   VAL   41   6.61 +/- 1.56   3.202% *  0.3320% (0.31   1.0 10.00   0.02   0.02) =   0.023%
        T QG2   VAL   41 - QG2   VAL   18  10.03 +/- 3.90   0.906% *  0.7131% (0.66   1.0 10.00   0.02   0.02) =   0.014%
        T QD1   LEU   73 - QG2   VAL   18   8.44 +/- 3.32   1.582% *  0.2537% (0.24   1.0 10.00   0.02   0.68) =   0.009%
        T QD1   LEU   63 - QG2   VAL   18   8.51 +/- 2.59   1.569% *  0.2537% (0.24   1.0 10.00   0.02   0.02) =   0.009%
        T QG2   VAL   41 - QD2   LEU  104   6.26 +/- 1.83   5.249% *  0.0501% (0.05   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   63 - QG1   VAL   41   9.05 +/- 1.49   0.687% *  0.3320% (0.31   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   98 - QD2   LEU  104   5.43 +/- 1.08   3.750% *  0.0397% (0.04   1.0 10.00   0.02  10.08) =   0.003%
          QD2   LEU   63 - QG2   VAL   18   8.15 +/- 2.94   1.608% *  0.0737% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - QG1   VAL   41   8.53 +/- 1.56   0.999% *  0.0965% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   80 - QG1   VAL   41  12.81 +/- 3.55   0.468% *  0.0739% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG2   VAL   18  14.00 +/- 6.00   0.423% *  0.0565% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD2   LEU  104  10.08 +/- 2.56   1.142% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  12.40 +/- 3.22   0.360% *  0.0565% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.20 +/- 4.11   0.364% *  0.0397% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.86 +/- 2.12   0.465% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104  10.72 +/- 1.84   0.423% *  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 = 0.192, support = 1.35, residual support = 7.38:
          QB    ALA   34 - QG2   VAL   41   3.87 +/- 1.87  57.446% * 51.9682% (0.18   1.50   8.41) =  87.713%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.42 +/- 1.69  21.742% * 14.6988% (0.20   0.37   0.02) =   9.390%  kept
          QB    ALA   88 - QG2   VAL   41  15.96 +/- 2.75   2.011% * 26.6971% (0.61   0.22   0.02) =   1.577%  kept
          QG2   THR   77 - QG2   VAL   41  10.79 +/- 1.16   7.840% *  3.7536% (0.95   0.02   0.02) =   0.865%  kept
          QG2   THR   23 - QG2   VAL   41  11.67 +/- 2.69   5.013% *  1.7790% (0.45   0.02   0.02) =   0.262%  kept
          HG2   LYS+  38 - QG2   VAL   41   9.37 +/- 1.18   5.948% *  1.1033% (0.28   0.02   0.02) =   0.193%  kept
    Distance limit 3.29 A violated in 4 structures by 0.74 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.342, support = 2.65, residual support = 26.4:
        T QB    LEU   98 - QG2   VAL   41   4.13 +/- 1.69  35.949% * 95.1718% (0.34 10.00   2.67  26.53) =  99.417%  kept
          HB3   LYS+  74 - QG2   VAL   41   9.08 +/- 1.73   9.578% *  0.8407% (0.61  1.00   0.10   0.02) =   0.234%  kept
          HG12  ILE   19 - QG2   VAL   41   8.72 +/- 4.82  14.529% *  0.2784% (1.00  1.00   0.02   0.02) =   0.118%  kept
        T HB2   LEU   80 - QG2   VAL   41  13.38 +/- 3.35   1.294% *  2.2341% (0.80 10.00   0.02   0.02) =   0.084%
          HG    LEU   73 - QG2   VAL   41   6.57 +/- 2.49  20.107% *  0.0861% (0.31  1.00   0.02   0.02) =   0.050%
          HB3   LEU   67 - QG2   VAL   41   9.02 +/- 2.49   6.935% *  0.1917% (0.69  1.00   0.02   0.02) =   0.039%
          QB    ALA   61 - QG2   VAL   41  10.28 +/- 2.01   2.870% *  0.2330% (0.84  1.00   0.02   0.02) =   0.019%
          HG    LEU   80 - QG2   VAL   41  13.24 +/- 3.91   1.468% *  0.2693% (0.97  1.00   0.02   0.02) =   0.011%
          QB    ALA  110 - QG2   VAL   41  14.99 +/- 1.78   1.059% *  0.2735% (0.98  1.00   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - QG2   VAL   41  13.48 +/- 3.55   1.345% *  0.1805% (0.65  1.00   0.02   0.02) =   0.007%
          QG    LYS+  66 - QG2   VAL   41  11.80 +/- 1.77   1.676% *  0.1358% (0.49  1.00   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - QG2   VAL   41   9.30 +/- 1.34   2.319% *  0.0621% (0.22  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG2   VAL   41  14.58 +/- 2.58   0.872% *  0.0430% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 1 structures by 0.49 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  10.74 +/- 1.28 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.08 A violated in 20 structures by 7.66 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 = 75.8:
      O   HN    VAL   41 - HB    VAL   41   3.34 +/- 0.33 100.000% *100.0000% (0.47  10.0   4.67  75.81) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.957, support = 2.77, residual support = 26.1:
          HN    LEU   98 - QG1   VAL   41   4.43 +/- 1.03  52.039% * 96.6539% (0.98   2.80  26.53) =  97.459%  kept
          HN    LEU   98 - QD2   LEU  104   4.88 +/- 1.19  46.204% *  2.8182% (0.05   1.52  10.08) =   2.523%  kept
          HN    LEU   98 - QG2   VAL   18  13.97 +/- 2.87   1.757% *  0.5279% (0.75   0.02   0.02) =   0.018%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.54, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  11.61 +/- 1.43  32.010% * 34.1212% (0.66   0.02   0.02) =  45.877%  kept
          HN    LYS+  66 - HB    VAL   41  13.69 +/- 1.90  21.340% * 29.5320% (0.57   0.02   0.02) =  26.471%  kept
          QE    PHE   59 - HB    VAL   41  10.81 +/- 1.76  38.823% * 12.0603% (0.23   0.02   0.02) =  19.667%  kept
          HN    LYS+  81 - HB    VAL   41  19.30 +/- 3.04   7.828% * 24.2865% (0.47   0.02   0.02) =   7.985%  kept
    Distance limit 3.77 A violated in 20 structures by 5.54 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.979, support = 5.28, residual support = 28.5:
      O   HN    VAL   42 - HA    VAL   41   2.28 +/- 0.10  86.561% * 99.1478% (0.98  10.0   5.28  28.53) =  99.908%  kept
          HN    LEU   73 - HA    VAL   41   6.21 +/- 1.66  10.232% *  0.7596% (0.98   1.0   0.15   0.02) =   0.090%
          HN    ILE   19 - HA    VAL   41  10.69 +/- 5.29   2.176% *  0.0614% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HA    VAL   41  12.44 +/- 1.74   1.031% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.99, residual support = 39.1:
      O   HN    VAL   43 - HA    VAL   42   2.22 +/- 0.04  99.791% * 99.9765% (0.90  10.0   4.99  39.13) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  17.94 +/- 1.45   0.209% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2581 (0.28, 0.55, 21.65 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2582 (0.09, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 0.675, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   5.51 +/- 2.52  63.755% * 16.0745% (0.34   0.02   0.02) =  40.229%  kept
          QD1   ILE   89 - QG2   VAL   41  12.60 +/- 2.57  18.327% * 46.1912% (0.98   0.02   0.02) =  33.230%  kept
          QG2   VAL   83 - QG2   VAL   41  10.77 +/- 2.78  17.918% * 37.7342% (0.80   0.02   0.02) =  26.540%  kept
    Distance limit 3.06 A violated in 10 structures by 2.32 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.829, support = 4.09, residual support = 28.1:
        T HB    VAL   41 - HB    VAL   42   5.39 +/- 0.35  30.115% * 95.0317% (0.84 10.00   4.14  28.53) =  98.266%  kept
          HB2   LEU   71 - HB    VAL   42   7.69 +/- 2.36  18.438% *  2.4261% (0.42  1.00   1.01   1.33) =   1.536%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.13 +/- 1.26   3.044% *  0.6370% (0.56 10.00   0.02   0.02) =   0.067%
        T HB    VAL   41 - HB2   LYS+ 112  19.95 +/- 3.13   0.970% *  0.6707% (0.59 10.00   0.02   0.02) =   0.022%
          QB    LYS+  66 - HB    VAL   42  10.34 +/- 2.23   5.906% *  0.0983% (0.87  1.00   0.02   0.02) =   0.020%
          HG2   PRO   93 - HB2   LYS+ 112   8.78 +/- 1.89   9.409% *  0.0603% (0.53  1.00   0.02   0.02) =   0.019%
          HG12  ILE  103 - HB    VAL   42  10.02 +/- 1.33   5.319% *  0.0854% (0.75  1.00   0.02   0.02) =   0.016%
          QB    LYS+  65 - HB    VAL   42  10.01 +/- 2.06   6.909% *  0.0518% (0.46  1.00   0.02   0.02) =   0.012%
          HB3   PRO   52 - HB2   LYS+ 112  10.19 +/- 2.82   8.375% *  0.0421% (0.37  1.00   0.02   0.02) =   0.012%
        T QB    LYS+ 102 - HB2   LYS+ 112  21.70 +/- 2.23   0.559% *  0.4496% (0.40 10.00   0.02   0.02) =   0.009%
          HG    LEU  123 - HB    VAL   42  14.37 +/- 3.05   2.287% *  0.0597% (0.53  1.00   0.02   0.02) =   0.005%
          HG2   PRO   93 - HB    VAL   42  14.97 +/- 1.78   1.585% *  0.0854% (0.75  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HB2   LYS+ 112  15.12 +/- 1.91   1.529% *  0.0693% (0.61  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HB2   LYS+ 112  15.17 +/- 2.37   1.690% *  0.0421% (0.37  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB2   LYS+ 112  14.48 +/- 1.99   1.777% *  0.0366% (0.32  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HB2   LYS+ 112  19.96 +/- 2.64   0.738% *  0.0603% (0.53  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB    VAL   42  18.97 +/- 1.71   0.683% *  0.0597% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   LYS+ 112  22.29 +/- 4.27   0.668% *  0.0338% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 14 structures by 1.58 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.09, residual support = 83.6:
          HN    VAL   42 - QG2   VAL   42   3.18 +/- 0.53  66.957% * 79.1545% (0.64   5.35  89.37) =  93.500%  kept
          HN    LEU   73 - QG2   VAL   42   6.14 +/- 1.43  17.806% * 20.4849% (0.64   1.38   0.62) =   6.435%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.05 +/- 2.01  11.816% *  0.2959% (0.64   0.02   0.02) =   0.062%
          HN    ILE   19 - QG2   VAL   42  10.22 +/- 3.22   3.421% *  0.0647% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.09, residual support = 39.1:
          HN    VAL   43 - QG2   VAL   42   3.66 +/- 0.49 100.000% *100.0000% (0.72   5.09  39.13) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.954, support = 3.97, residual support = 87.8:
      O T HA    VAL   42 - QG1   VAL   42   2.63 +/- 0.30  60.872% * 91.4890% (0.97  10.0 10.00   4.00  89.37) =  97.943%  kept
          HA    THR   46 - QB    ALA   47   3.83 +/- 0.06  20.987% *  5.4585% (0.44   1.0  1.00   2.63  11.68) =   2.015%  kept
        T HA    GLN   17 - QG1   VAL   42  12.42 +/- 4.16   1.219% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.012%
        T HA    PHE   55 - QB    ALA   47  10.63 +/- 1.27   1.113% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.009%
        T HA    VAL   42 - QB    ALA   47  14.22 +/- 0.74   0.424% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.006%
        T HA    PHE   55 - QG1   VAL   42  13.45 +/- 2.02   0.601% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLN   90 - QB    ALA   47   7.37 +/- 2.35   9.177% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLN   17 - QB    ALA   47  19.60 +/- 4.64   0.244% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG1   VAL   42   9.79 +/- 0.83   1.368% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  11.38 +/- 3.39   2.027% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG1   VAL   42  13.99 +/- 1.17   0.526% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG1   VAL   42  12.03 +/- 2.09   1.003% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  15.29 +/- 1.28   0.362% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.38 +/- 1.40   0.077% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.874, support = 1.58, residual support = 4.09:
          QD    PHE   60 - QG1   VAL   42   5.82 +/- 1.56  25.225% * 89.6599% (0.93   1.73   4.55) =  89.864%  kept
          QE    PHE   59 - QG1   VAL   42   4.78 +/- 2.17  37.079% *  6.0778% (0.33   0.33   0.02) =   8.954%  kept
          HN    LYS+  66 - QG1   VAL   42   8.23 +/- 1.84  12.359% *  0.8980% (0.81   0.02   0.02) =   0.441%  kept
          QD    PHE   60 - QB    ALA   47   9.52 +/- 2.77  11.654% *  0.8960% (0.80   0.02   0.02) =   0.415%  kept
          HN    LYS+  81 - QB    ALA   47  10.73 +/- 2.03   4.824% *  0.6377% (0.57   0.02   0.02) =   0.122%  kept
          HN    LYS+  66 - QB    ALA   47  14.13 +/- 3.78   3.226% *  0.7755% (0.70   0.02   0.02) =   0.099%
          HN    LYS+  81 - QG1   VAL   42  15.18 +/- 1.75   2.020% *  0.7385% (0.66   0.02   0.02) =   0.059%
          QE    PHE   59 - QB    ALA   47  11.74 +/- 1.49   3.614% *  0.3167% (0.28   0.02   0.02) =   0.045%
    Distance limit 3.09 A violated in 3 structures by 0.87 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 5.08, residual support = 82.3:
          HN    VAL   42 - QG1   VAL   42   3.53 +/- 0.43  53.365% * 85.8592% (0.77   5.45  89.37) =  91.988%  kept
          HN    LEU   73 - QG1   VAL   42   5.44 +/- 2.14  30.701% * 12.8810% (0.77   0.82   0.62) =   7.939%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.41 +/- 1.70   8.251% *  0.3151% (0.77   0.02   0.02) =   0.052%
          HN    ILE   19 - QG1   VAL   42   9.88 +/- 3.25   4.412% *  0.0689% (0.17   0.02   0.02) =   0.006%
          HN    LEU   73 - QB    ALA   47  13.84 +/- 1.01   0.965% *  0.2721% (0.67   0.02   0.02) =   0.005%
          HN    VAL   42 - QB    ALA   47  14.92 +/- 0.90   0.859% *  0.2721% (0.67   0.02   0.02) =   0.005%
          HN    LYS+ 106 - QB    ALA   47  16.41 +/- 1.47   0.716% *  0.2721% (0.67   0.02   0.02) =   0.004%
          HN    ILE   19 - QB    ALA   47  17.43 +/- 3.64   0.731% *  0.0595% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.09, residual support = 39.1:
          HN    VAL   43 - QG1   VAL   42   2.96 +/- 0.49  94.502% * 99.3896% (0.40   5.09  39.13) =  99.989%  kept
          HN    VAL   43 - QB    ALA   47  12.77 +/- 0.65   1.376% *  0.3372% (0.34   0.02   0.02) =   0.005%
          HN    VAL   24 - QG1   VAL   42  13.47 +/- 2.09   2.963% *  0.1466% (0.15   0.02   0.02) =   0.005%
          HN    VAL   24 - QB    ALA   47  16.18 +/- 3.31   1.160% *  0.1266% (0.13   0.02   0.02) =   0.002%
    Distance limit 3.46 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   7.74 +/- 1.22  91.136% * 53.6601% (0.43   0.02   0.02) =  92.251%  kept
          HN    LEU  104 - QB    ALA   47  18.07 +/- 1.18   8.864% * 46.3399% (0.37   0.02   0.02) =   7.749%  kept
    Distance limit 3.86 A violated in 20 structures by 3.86 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.73, residual support = 16.2:
          HN    TRP   49 - QB    ALA   47   2.46 +/- 0.17  94.158% * 95.0585% (0.29   3.73  16.17) =  99.938%  kept
          HE22  GLN   30 - QG1   VAL   42   9.37 +/- 1.56   2.987% *  0.9180% (0.53   0.02   0.02) =   0.031%
          HD22  ASN   69 - QG1   VAL   42  10.14 +/- 1.64   1.759% *  1.0560% (0.61   0.02   0.02) =   0.021%
          HD22  ASN   69 - QB    ALA   47  20.16 +/- 3.10   0.255% *  1.3787% (0.79   0.02   0.02) =   0.004%
          HE22  GLN   30 - QB    ALA   47  18.09 +/- 1.97   0.288% *  1.1986% (0.69   0.02   0.02) =   0.004%
          HN    TRP   49 - QG1   VAL   42  14.70 +/- 1.50   0.552% *  0.3902% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.394, support = 2.3, residual support = 10.7:
      O   HN    ALA   47 - QB    ALA   47   2.36 +/- 0.11  77.084% * 91.7536% (0.39  10.0   2.33  10.83) =  98.307%  kept
          QD    PHE   95 - QG1   VAL   42   4.80 +/- 1.50  18.492% *  6.1864% (0.70   1.0   0.75   0.94) =   1.590%  kept
          QD    PHE   95 - QB    ALA   47   8.97 +/- 1.63   3.676% *  1.9897% (0.91   1.0   0.18   0.02) =   0.102%  kept
          HN    ALA   47 - QG1   VAL   42  11.45 +/- 0.95   0.747% *  0.0703% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 0.6, support = 2.49, residual support = 20.1:
        T HB3   LEU   73 - QG1   VAL   43   6.25 +/- 1.85  17.690% * 37.3022% (0.69 10.00   0.37   6.16) =  45.466%  kept
          HB    VAL   42 - QG1   VAL   43   5.68 +/- 0.63  12.707% * 42.5408% (0.62  1.00   4.63  39.13) =  37.244%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.11 +/- 0.91  13.253% * 18.1864% (0.34  1.00   3.62  16.51) =  16.606%  kept
          HG    LEU   98 - QG1   VAL   43   5.87 +/- 2.14  18.432% *  0.1729% (0.58  1.00   0.02   0.02) =   0.220%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.42 +/- 2.16   9.920% *  0.2529% (0.85  1.00   0.02   0.02) =   0.173%  kept
          QB    ALA   84 - QG1   VAL   43   9.59 +/- 2.30   7.112% *  0.2043% (0.69  1.00   0.02   0.02) =   0.100%  kept
          HB3   PRO   93 - QG1   VAL   43   9.84 +/- 1.46   3.394% *  0.2141% (0.72  1.00   0.02   0.02) =   0.050%
          HG3   LYS+ 102 - QG1   VAL   43  10.38 +/- 1.78   2.535% *  0.2141% (0.72  1.00   0.02   0.02) =   0.037%
          HB3   LEU   80 - QG1   VAL   43   9.61 +/- 3.47   6.505% *  0.0529% (0.18  1.00   0.02   0.02) =   0.024%
          HB2   LYS+ 112 - QG1   VAL   43  14.44 +/- 2.19   1.307% *  0.2319% (0.78  1.00   0.02   0.02) =   0.021%
          HG3   LYS+  33 - QG1   VAL   43  11.86 +/- 2.27   1.760% *  0.1622% (0.54  1.00   0.02   0.02) =   0.020%
          HG3   LYS+  65 - QG1   VAL   43  12.31 +/- 2.25   1.278% *  0.1836% (0.62  1.00   0.02   0.02) =   0.016%
          HB2   LEU   63 - QG1   VAL   43  10.25 +/- 1.94   2.973% *  0.0743% (0.25  1.00   0.02   0.02) =   0.015%
          QB    ALA  124 - QG1   VAL   43  15.94 +/- 2.21   0.581% *  0.1407% (0.47  1.00   0.02   0.02) =   0.006%
          QB    ALA   12 - QG1   VAL   43  17.17 +/- 2.06   0.553% *  0.0667% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.37 A violated in 0 structures by 0.59 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.268, support = 1.56, residual support = 4.4:
        T HH2   TRP   27 - QG1   VAL   43   5.08 +/- 3.94  58.263% * 45.1885% (0.31 10.00   1.19   4.40) =  53.507%  kept
        T HZ3   TRP   27 - QG1   VAL   43   5.61 +/- 3.54  41.737% * 54.8115% (0.22 10.00   1.98   4.40) =  46.493%  kept
    Distance limit 3.03 A violated in 5 structures by 1.93 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.32, residual support = 61.0:
          HN    VAL   43 - QG1   VAL   43   2.46 +/- 0.76 100.000% *100.0000% (0.80   5.32  60.96) = 100.000%  kept
    Distance limit 3.32 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.358, support = 3.59, residual support = 16.8:
          HN    ASP-  44 - QG2   VAL   43   3.45 +/- 0.40  47.831% * 69.8905% (0.39   3.90  16.51) =  82.872%  kept
          HN    ASN   28 - QD2   LEU   31   3.98 +/- 0.74  35.139% * 18.4053% (0.18   2.19  19.46) =  16.033%  kept
          HN    ASN   28 - QG2   VAL   43  10.08 +/- 3.46   3.888% * 10.8941% (0.63   0.37   0.02) =   1.050%  kept
          HN    GLU-  25 - QG2   VAL   43  12.16 +/- 3.37   1.812% *  0.3333% (0.36   0.02   0.02) =   0.015%
          HN    GLU-  25 - QD2   LEU   31   7.74 +/- 0.68   4.324% *  0.0956% (0.10   0.02   0.02) =   0.010%
          HN    ASP-  44 - QD2   LEU   31   9.48 +/- 2.11   3.534% *  0.1029% (0.11   0.02   0.02) =   0.009%
          HN    ASN   69 - QG2   VAL   43  12.24 +/- 1.09   1.338% *  0.2161% (0.23   0.02   0.02) =   0.007%
          HN    ASN   69 - QD2   LEU   31  12.83 +/- 2.65   2.134% *  0.0620% (0.07   0.02   0.02) =   0.003%
    Distance limit 3.47 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.21, residual support = 61.0:
      O   HN    VAL   43 - HB    VAL   43   2.84 +/- 0.45 100.000% *100.0000% (0.87  10.0   4.21  60.96) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 16.0:
          HN    MET   96 - HB    VAL   43   3.70 +/- 0.72 100.000% *100.0000% (0.51   1.50  16.03) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.51, residual support = 18.1:
        T QD    PHE   45 - HB3   ASP-  44   4.79 +/- 0.18 100.000% *100.0000% (0.80 10.00   4.51  18.06) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.88 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.91, residual support = 39.5:
      O   HN    ASP-  44 - HB3   ASP-  44   3.19 +/- 0.47  98.400% * 99.8560% (0.98  10.0   3.91  39.48) =  99.999%  kept
          HN    GLU-  25 - HB3   ASP-  44  17.49 +/- 2.19   0.689% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  15.91 +/- 1.90   0.911% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.922, support = 1.95, residual support = 5.44:
          HA    LYS+  74 - HB2   ASP-  44   5.10 +/- 0.98  90.421% * 91.9048% (0.92  1.00   1.97   5.49) =  99.076%  kept
        T HA    MET   92 - HB2   ASP-  44  11.50 +/- 0.98   9.579% *  8.0952% (0.80 10.00   0.02   0.02) =   0.924%  kept
    Distance limit 4.06 A violated in 7 structures by 1.15 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.12, residual support = 39.5:
      O   HN    ASP-  44 - HB2   ASP-  44   2.77 +/- 0.45  98.850% * 99.8560% (0.98  10.0   3.12  39.48) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  17.27 +/- 2.10   0.476% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  15.55 +/- 1.72   0.675% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.609, support = 3.87, residual support = 32.9:
      O   HN    ASP-  44 - HA    ASP-  44   2.89 +/- 0.04  32.861% * 81.9551% (0.80  10.0   3.79  39.48) =  69.351%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.28 +/- 0.03  66.398% * 17.9245% (0.18  10.0   4.06  18.06) =  30.648%  kept
          HN    ALA  110 - HA    ASP-  44  11.99 +/- 2.07   0.579% *  0.0349% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    ASP-  44  17.68 +/- 2.27   0.161% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 4.18:
          HA    PHE   95 - HA    ASP-  44   3.32 +/- 1.21 100.000% *100.0000% (0.87   2.00   4.18) = 100.000%  kept
    Distance limit 3.70 A violated in 1 structures by 0.27 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.4:
        T HB    THR   94 - HB2   PHE   45   3.05 +/- 0.54  76.624% * 98.9931% (0.65 10.00   2.96  27.37) =  99.978%  kept
          HA    LYS+  65 - HB2   PHE   45  14.08 +/- 4.01   3.284% *  0.1413% (0.92  1.00   0.02   0.02) =   0.006%
          QB    SER   48 - HB2   PHE   45  10.34 +/- 0.63   2.524% *  0.1169% (0.76  1.00   0.02   0.02) =   0.004%
          HA    ALA   88 - HB2   PHE   45  11.79 +/- 2.97   9.783% *  0.0268% (0.18  1.00   0.02   0.02) =   0.003%
          QB    SER   85 - HB2   PHE   45  12.56 +/- 1.90   1.613% *  0.1477% (0.97  1.00   0.02   0.02) =   0.003%
          HD2   PRO   52 - HB2   PHE   45  10.77 +/- 1.73   2.608% *  0.0522% (0.34  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HB2   PHE   45  13.55 +/- 1.40   1.295% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PHE   45  19.08 +/- 2.49   0.487% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   PHE   45  14.65 +/- 1.25   0.956% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.44 +/- 2.59   0.367% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  23.97 +/- 5.09   0.215% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  21.75 +/- 2.61   0.245% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.442, support = 2.23, residual support = 10.8:
          QG2   THR   77 - HB2   PHE   45   3.44 +/- 0.84  74.612% * 86.7897% (0.45   2.26  11.00) =  97.905%  kept
          QB    ALA   88 - HB2   PHE   45  10.58 +/- 2.69  13.904% *  9.2412% (0.15   0.70   0.02) =   1.943%  kept
          QG2   ILE   56 - HB2   PHE   45   8.35 +/- 1.92   8.838% *  0.7673% (0.45   0.02   0.02) =   0.103%  kept
          QG2   THR   23 - HB2   PHE   45  16.05 +/- 2.81   1.161% *  1.6189% (0.95   0.02   0.02) =   0.028%
          QB    ALA   34 - HB2   PHE   45  15.44 +/- 1.32   1.133% *  1.1071% (0.65   0.02   0.02) =   0.019%
          HG3   LYS+  38 - HB2   PHE   45  24.13 +/- 1.58   0.352% *  0.4758% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.83 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 0.749, residual support = 10.6:
        T QG2   ILE   89 - HB2   PHE   45   5.40 +/- 2.90  56.515% * 99.8023% (1.00 10.00   0.75  10.62) =  99.913%  kept
          QG1   VAL   83 - HB2   PHE   45   8.68 +/- 1.91  27.812% *  0.1510% (0.57  1.00   0.02   2.98) =   0.074%
          QD1   LEU  104 - HB2   PHE   45  14.45 +/- 2.37  15.674% *  0.0467% (0.18  1.00   0.02   0.02) =   0.013%
    Distance limit 3.79 A violated in 6 structures by 1.86 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.874, support = 2.57, residual support = 10.4:
          QG2   THR   77 - HB3   PHE   45   2.96 +/- 0.92  76.618% * 77.0664% (0.87   2.68  11.00) =  94.386%  kept
          QB    ALA   88 - HB3   PHE   45  10.34 +/- 2.62  16.332% * 21.4144% (0.99   0.65   0.02) =   5.591%  kept
          HB3   LEU   80 - HB3   PHE   45  10.11 +/- 3.03   3.728% *  0.1311% (0.20   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HB3   PHE   45  14.69 +/- 2.34   1.899% *  0.2487% (0.38   0.02   0.02) =   0.008%
          HG2   LYS+  99 - HB3   PHE   45  20.15 +/- 1.10   0.493% *  0.4286% (0.65   0.02   0.02) =   0.003%
          HB2   LEU   31 - HB3   PHE   45  18.21 +/- 3.18   0.692% *  0.2045% (0.31   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HB3   PHE   45  24.44 +/- 0.76   0.238% *  0.5063% (0.76   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 10.6:
        T QG2   ILE   89 - HB3   PHE   45   5.28 +/- 2.60 100.000% *100.0000% (0.69 10.00   0.75  10.62) = 100.000%  kept
    Distance limit 3.64 A violated in 6 structures by 1.88 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.33, residual support = 80.0:
      O   QD    PHE   45 - HB2   PHE   45   2.53 +/- 0.18  98.012% * 99.6976% (0.65  10.0   4.33  80.00) =  99.997%  kept
          HE22  GLN  116 - HB2   PHE   45  17.94 +/- 2.75   1.185% *  0.1337% (0.87   1.0   0.02   0.02) =   0.002%
          HD2   HIS  122 - HB2   PHE   45  15.73 +/- 2.88   0.615% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   PHE   45  22.89 +/- 4.91   0.188% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.724, support = 3.62, residual support = 79.7:
      O   HN    PHE   45 - HB2   PHE   45   2.72 +/- 0.56  88.676% * 95.1587% (0.73  10.0   3.62  80.00) =  99.559%  kept
          HN    ASP-  44 - HB2   PHE   45   6.52 +/- 0.33   7.886% *  4.6876% (0.22   1.0   3.21  18.06) =   0.436%  kept
          HN    ALA  110 - HB2   PHE   45  10.85 +/- 2.37   2.984% *  0.1210% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB2   PHE   45  18.78 +/- 3.66   0.454% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.04, residual support = 80.0:
      O   QD    PHE   45 - HB3   PHE   45   2.50 +/- 0.22  98.720% * 99.6976% (0.65  10.0   5.04  80.00) =  99.998%  kept
          HE22  GLN  116 - HB3   PHE   45  18.47 +/- 2.88   0.656% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HB3   PHE   45  16.24 +/- 2.54   0.441% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB3   PHE   45  23.00 +/- 4.90   0.183% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.723, support = 3.94, residual support = 79.6:
      O   HN    PHE   45 - HB3   PHE   45   3.17 +/- 0.55  86.486% * 95.1590% (0.73  10.0   3.95  80.00) =  99.426%  kept
          HN    ASP-  44 - HB3   PHE   45   6.77 +/- 0.36  10.059% *  4.6874% (0.22   1.0   3.21  18.06) =   0.570%  kept
          HN    ALA  110 - HB3   PHE   45  11.37 +/- 2.61   2.728% *  0.1210% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB3   PHE   45  18.58 +/- 3.87   0.727% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.02, residual support = 3.74:
          HA    ASP-  76 - QG2   THR   46   4.38 +/- 1.92 100.000% *100.0000% (0.41   1.02   3.74) = 100.000%  kept
    Distance limit 3.43 A violated in 6 structures by 1.26 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 3.35, residual support = 34.1:
          HN    THR   46 - QG2   THR   46   2.61 +/- 0.44  81.642% * 90.2824% (0.76   3.36  34.27) =  99.519%  kept
          HN    LYS+  74 - QG2   THR   46   8.09 +/- 1.16   3.572% *  8.2780% (1.00   0.24   0.19) =   0.399%  kept
          HN    MET   92 - QG2   THR   46   7.05 +/- 1.76  11.524% *  0.3979% (0.57   0.02   0.02) =   0.062%
          HN    LYS+ 112 - QG2   THR   46  12.28 +/- 2.67   3.116% *  0.4546% (0.65   0.02   0.02) =   0.019%
          HN    MET   11 - QG2   THR   46  25.23 +/- 3.69   0.147% *  0.5870% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.10 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 = 0.314, support = 2.9, residual support = 10.4:
          HN    ALA   47 - QG2   THR   46   3.46 +/- 0.72  80.003% * 66.9016% (0.25   3.20  11.68) =  88.995%  kept
          QD    PHE   95 - QG2   THR   46   6.95 +/- 1.50  19.997% * 33.0984% (0.84   0.47   0.02) =  11.005%  kept
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.302, support = 0.829, residual support = 0.451:
          QB    CYS   50 - QG2   THR   46   4.97 +/- 1.35  43.432% * 61.7605% (0.31   0.99   0.58) =  66.610%  kept
          QE    LYS+  74 - QG2   THR   46   5.01 +/- 2.04  44.108% * 29.7394% (0.28   0.53   0.19) =  32.573%  kept
          HB2   PHE   72 - QG2   THR   46  10.25 +/- 1.13   4.339% *  4.0467% (1.00   0.02   0.02) =   0.436%  kept
          HA    ALA   64 - QG2   THR   46   9.80 +/- 1.94   6.511% *  1.6674% (0.41   0.02   0.02) =   0.270%  kept
          HB3   ASN   69 - QG2   THR   46  15.99 +/- 1.96   1.610% *  2.7859% (0.69   0.02   0.02) =   0.111%  kept
    Distance limit 3.63 A violated in 3 structures by 0.49 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   2.75 +/- 0.05  98.936% * 99.9333% (0.49  10.0   2.61   9.17) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  15.87 +/- 2.72   0.771% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  21.69 +/- 3.18   0.294% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.4, residual support = 9.17:
      O   HN    SER   48 - QB    SER   48   2.29 +/- 0.25  98.622% * 99.9496% (0.95  10.0   2.40   9.17) = 100.000%  kept
          HN    SER   48 - QB    SER   85  13.51 +/- 2.72   1.210% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  20.34 +/- 2.03   0.168% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.926, support = 4.09, residual support = 83.5:
      O   HN    TRP   49 - HB2   TRP   49   3.57 +/- 0.09  52.169% * 97.0874% (0.95  10.0   4.10  85.57) =  97.447%  kept
          HN    CYS   50 - HB2   TRP   49   3.70 +/- 0.83  47.425% *  2.7975% (0.15   1.0   3.53   4.82) =   2.553%  kept
          HE22  GLN   30 - HB2   TRP   49  25.59 +/- 3.04   0.198% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  27.30 +/- 5.42   0.208% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.74, residual support = 85.6:
      O   HD1   TRP   49 - HB2   TRP   49   3.82 +/- 0.21  96.919% * 99.6923% (0.80  10.0   4.74  85.57) =  99.998%  kept
          HD2   HIS   22 - HB2   TRP   49  23.28 +/- 5.12   0.909% *  0.1149% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   TRP   49  20.84 +/- 4.69   1.131% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   TRP   49  33.74 +/- 2.43   0.151% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  22.38 +/- 4.37   0.890% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.782, support = 4.09, residual support = 84.6:
      O   HN    TRP   49 - HB3   TRP   49   2.98 +/- 0.25  70.835% * 97.0943% (0.79  10.0   4.10  85.57) =  98.843%  kept
          HN    CYS   50 - HB3   TRP   49   4.11 +/- 0.38  28.849% *  2.7907% (0.13   1.0   3.52   4.82) =   1.157%  kept
          HE22  GLN   30 - HB3   TRP   49  25.35 +/- 3.04   0.165% *  0.0947% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  27.73 +/- 5.10   0.150% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 4.74, residual support = 85.6:
      O   HD1   TRP   49 - HB3   TRP   49   2.87 +/- 0.15  98.834% * 99.6923% (0.67  10.0   4.74  85.57) =  99.999%  kept
          HD2   HIS   22 - HB3   TRP   49  22.89 +/- 5.26   0.374% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  21.28 +/- 4.63   0.392% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.54 +/- 2.36   0.066% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  21.89 +/- 4.59   0.334% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.716, support = 0.02, residual support = 2.5:
          HB2   PRO   52 - HB3   TRP   49  10.37 +/- 0.71  69.448% * 45.9163% (0.72   0.02   3.36) =  74.172%  kept
          HB2   ASP-  62 - HB3   TRP   49  18.60 +/- 3.96  22.805% * 45.9163% (0.72   0.02   0.02) =  24.356%  kept
          HG2   MET   96 - HB3   TRP   49  21.87 +/- 1.61   7.747% *  8.1674% (0.13   0.02   0.02) =   1.472%  kept
    Distance limit 3.95 A violated in 20 structures by 6.15 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.514, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  12.79 +/- 0.78  33.564% * 16.1708% (0.47   0.02   0.02) =  32.930%  kept
          QE    LYS+ 112 - HB3   TRP   49  15.34 +/- 3.59  25.504% * 16.1708% (0.47   0.02   0.02) =  25.022%  kept
          QG    GLU-  79 - HB3   TRP   49  15.07 +/- 2.82  25.653% * 13.9029% (0.41   0.02   0.02) =  21.638%  kept
          HB    VAL  107 - HB3   TRP   49  20.01 +/- 2.44   9.620% * 27.0190% (0.79   0.02   0.02) =  15.770%  kept
          QG    GLN   32 - HB3   TRP   49  29.29 +/- 2.20   2.873% * 22.8711% (0.67   0.02   0.02) =   3.987%  kept
          HG2   GLU-  29 - HB3   TRP   49  30.27 +/- 3.59   2.787% *  3.8655% (0.11   0.02   0.02) =   0.654%  kept
    Distance limit 4.02 A violated in 20 structures by 6.89 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 3.58, residual support = 6.91:
          QB    ALA   47 - QB    CYS   50   3.86 +/- 0.38  77.230% * 98.8114% (0.65   3.59   6.92) =  99.910%  kept
          HG2   LYS+ 112 - QB    CYS   50  11.41 +/- 3.14  14.842% *  0.1896% (0.22   0.02   0.02) =   0.037%
          QB    ALA   64 - QB    CYS   50  10.78 +/- 1.64   4.966% *  0.5509% (0.65   0.02   0.02) =   0.036%
          QG1   VAL   42 - QB    CYS   50  11.91 +/- 1.64   2.962% *  0.4480% (0.53   0.02   0.02) =   0.017%
    Distance limit 3.65 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.985, support = 1.54, residual support = 7.26:
        T HB2   CYS   53 - QB    CYS   50   3.41 +/- 1.35  65.833% * 89.7420% (1.00 10.00   1.50   7.60) =  95.416%  kept
          HD3   PRO   52 - QB    CYS   50   4.96 +/- 1.34  28.403% *  9.9826% (0.73  1.00   2.29   0.02) =   4.579%  kept
          HD2   PRO   58 - QB    CYS   50  10.17 +/- 2.31   3.457% *  0.0584% (0.49  1.00   0.02   0.02) =   0.003%
          HA    VAL   83 - QB    CYS   50  16.27 +/- 2.31   1.146% *  0.0493% (0.41  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QB    CYS   50  22.44 +/- 2.17   0.260% *  0.0960% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  17.47 +/- 2.42   0.708% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.44 +/- 2.34   0.194% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 1.58, residual support = 7.64:
      O   HN    CYS   50 - QB    CYS   50   2.97 +/- 0.32  75.853% * 88.2998% (0.80  10.0   1.55   7.75) =  96.160%  kept
          HN    TRP   49 - QB    CYS   50   4.51 +/- 0.36  23.021% * 11.6160% (0.65   1.0   2.52   4.82) =   3.839%  kept
          HN    VAL   83 - QB    CYS   50  15.47 +/- 2.27   0.837% *  0.0486% (0.34   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    CYS   50  19.81 +/- 2.21   0.289% *  0.0356% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.2:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  98.020% * 97.0144% (0.87  10.0 10.00   2.81  10.17) =  99.987%  kept
        T QB    SER   48 - HA1   GLY   51   8.75 +/- 1.00   0.971% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.011%
        T QB    SER   85 - HA1   GLY   51  18.73 +/- 2.74   0.096% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA1   GLY   51  19.04 +/- 1.96   0.090% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  14.79 +/- 1.50   0.178% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  18.43 +/- 3.72   0.213% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  22.95 +/- 3.73   0.086% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  25.06 +/- 3.47   0.065% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  14.03 +/- 2.02   0.252% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  28.75 +/- 4.76   0.028% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 3.07, residual support = 34.3:
          HB3   CYS   53 - HB2   PRO   52   6.12 +/- 0.78  14.328% * 76.2714% (0.99   4.61  55.11) =  62.048%  kept
          QB    PHE   55 - HB2   PRO   52   4.37 +/- 0.67  38.206% *  9.5288% (0.92   0.62   0.33) =  20.671%  kept
          HD3   PRO   93 - HB2   PRO   52   7.17 +/- 4.41  31.350% *  8.3822% (0.98   0.51   0.02) =  14.920%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.71 +/- 1.35   8.565% *  4.7261% (0.97   0.29   1.93) =   2.298%  kept
          HB2   PHE   59 - HB2   PRO   52  11.97 +/- 1.72   2.018% *  0.2292% (0.69   0.02   0.02) =   0.026%
          HD3   PRO   68 - HB2   PRO   52  21.58 +/- 3.26   0.656% *  0.3220% (0.97   0.02   0.02) =   0.012%
          HD3   PRO   93 - HG2   MET   96  14.71 +/- 0.98   1.002% *  0.0961% (0.29   0.02   0.02) =   0.005%
          HB2   PHE   59 - HG2   MET   96  14.74 +/- 2.30   1.294% *  0.0673% (0.20   0.02   0.02) =   0.005%
          HD3   PRO   68 - HG2   MET   96  17.16 +/- 2.75   0.832% *  0.0946% (0.28   0.02   0.02) =   0.004%
          HB3   CYS   53 - HG2   MET   96  16.63 +/- 2.26   0.765% *  0.0972% (0.29   0.02   0.02) =   0.004%
          QB    PHE   55 - HG2   MET   96  17.39 +/- 1.31   0.573% *  0.0905% (0.27   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HG2   MET   96  21.76 +/- 2.83   0.412% *  0.0946% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.37, support = 1.34, residual support = 10.8:
        T HD3   PRO   93 - HB3   PRO   52   7.03 +/- 3.92  30.871% * 41.1137% (0.41 10.00   0.46   0.02) =  59.479%  kept
          HB3   CYS   53 - HB3   PRO   52   6.25 +/- 0.95  15.106% * 27.1255% (0.25  1.00   4.96  55.11) =  19.203%  kept
          QB    PHE   55 - HB3   PRO   52   4.42 +/- 0.70  38.223% *  6.0839% (0.53  1.00   0.53   0.33) =  10.898%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.70 +/- 1.33   9.542% * 23.1345% (0.20 10.00   0.53   1.93) =  10.345%  kept
        T HD3   PRO   68 - HB3   PRO   52  22.10 +/- 3.35   0.423% *  1.9684% (0.45 10.00   0.02   0.02) =   0.039%
          HB2   PHE   59 - HB3   PRO   52  12.25 +/- 1.54   1.898% *  0.3516% (0.80  1.00   0.02   0.02) =   0.031%
        T HD2   ARG+  54 - QB    LYS+  81  19.86 +/- 3.39   0.517% *  0.0997% (0.02 10.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - QB    LYS+  81  14.07 +/- 1.38   1.144% *  0.0207% (0.05  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - QB    LYS+  81  18.03 +/- 2.83   0.599% *  0.0265% (0.06  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - QB    LYS+  81  21.25 +/- 1.91   0.324% *  0.0403% (0.09  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - QB    LYS+  81  15.75 +/- 2.86   1.015% *  0.0126% (0.03  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - QB    LYS+  81  22.71 +/- 3.31   0.338% *  0.0226% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.474, support = 0.02, residual support = 0.0319:
          HB3   LEU  115 - HB2   PRO   52  11.94 +/- 2.27   5.744% *  8.3913% (0.84   0.02   0.02) =  15.090%  kept
          QB    ALA  110 - HB2   PRO   52   9.35 +/- 3.97  14.365% *  2.7932% (0.28   0.02   0.02) =  12.563%  kept
          QB    ALA   61 - HB2   PRO   52  11.58 +/- 2.03   6.314% *  4.8900% (0.49   0.02   0.02) =   9.667%  kept
          HG    LEU   73 - HG2   MET   96  11.05 +/- 2.52   8.252% *  2.8481% (0.28   0.02   0.13) =   7.358%  kept
          HG2   LYS+ 102 - HG2   MET   96  10.65 +/- 1.68   6.998% *  2.9446% (0.29   0.02   0.02) =   6.452%  kept
          HG    LEU   73 - HB2   PRO   52  19.84 +/- 4.70   2.097% *  9.6953% (0.97   0.02   0.02) =   6.365%  kept
          HG    LEU  115 - HB2   PRO   52  11.62 +/- 2.65   6.398% *  2.7932% (0.28   0.02   0.02) =   5.595%  kept
          QG    LYS+  66 - HB2   PRO   52  17.16 +/- 3.52   2.127% *  8.3913% (0.84   0.02   0.02) =   5.587%  kept
          HG    LEU   40 - HG2   MET   96  10.50 +/- 1.81   7.086% *  2.4650% (0.25   0.02   0.02) =   5.469%  kept
          HB3   LEU  115 - HG2   MET   96  12.15 +/- 1.51   4.494% *  2.4650% (0.25   0.02   0.11) =   3.469%  kept
          QB    ALA  120 - HB2   PRO   52  16.66 +/- 3.12   3.675% *  2.7932% (0.28   0.02   0.02) =   3.214%  kept
          QB    ALA   61 - HG2   MET   96  13.05 +/- 2.79   5.471% *  1.4365% (0.14   0.02   0.02) =   2.460%  kept
          HG    LEU   67 - HB2   PRO   52  20.32 +/- 1.93   0.891% *  7.2951% (0.73   0.02   0.02) =   2.034%  kept
          HB3   LEU   67 - HB2   PRO   52  20.35 +/- 2.19   0.853% *  6.4990% (0.65   0.02   0.02) =   1.735%  kept
          HG    LEU   40 - HB2   PRO   52  22.40 +/- 2.91   0.626% *  8.3913% (0.84   0.02   0.02) =   1.646%  kept
          HG    LEU   80 - HB2   PRO   52  20.54 +/- 4.43   1.689% *  3.1007% (0.31   0.02   0.02) =   1.640%  kept
          HG    LEU   67 - HG2   MET   96  15.20 +/- 2.58   2.126% *  2.1430% (0.21   0.02   0.02) =   1.427%  kept
          HB3   LEU   67 - HG2   MET   96  14.91 +/- 2.39   2.318% *  1.9091% (0.19   0.02   0.02) =   1.385%  kept
          HG    LEU   80 - HG2   MET   96  14.38 +/- 4.23   4.769% *  0.9109% (0.09   0.02   0.02) =   1.360%  kept
          QG    LYS+  66 - HG2   MET   96  16.73 +/- 2.37   1.639% *  2.4650% (0.25   0.02   0.02) =   1.265%  kept
          HG2   LYS+ 102 - HB2   PRO   52  28.15 +/- 2.61   0.323% * 10.0239% (1.00   0.02   0.02) =   1.013%  kept
          QB    ALA  110 - HG2   MET   96  13.16 +/- 1.25   3.461% *  0.8205% (0.08   0.02   0.02) =   0.889%  kept
          HG    LEU  115 - HG2   MET   96  13.47 +/- 1.20   3.085% *  0.8205% (0.08   0.02   0.11) =   0.793%  kept
          QB    ALA  120 - HG2   MET   96  14.80 +/- 1.92   2.470% *  0.8205% (0.08   0.02   0.02) =   0.634%  kept
          HG12  ILE   19 - HB2   PRO   52  24.38 +/- 3.64   0.663% *  2.2366% (0.22   0.02   0.02) =   0.464%  kept
          HG12  ILE   19 - HG2   MET   96  16.41 +/- 2.94   2.068% *  0.6570% (0.07   0.02   0.02) =   0.425%  kept
    Distance limit 3.22 A violated in 18 structures by 2.91 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.711, support = 0.02, residual support = 0.02:
          HB3   PRO   93 - HD2   PRO   52   8.37 +/- 1.80  30.932% *  5.3763% (0.65  1.00   0.02   0.02) =  22.925%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.14 +/- 2.14  11.943% *  8.1462% (0.98  1.00   0.02   0.02) =  13.412%  kept
        T QB    ALA   88 - HD2   PRO   52  14.57 +/- 2.41   6.658% * 14.5547% (0.18 10.00   0.02   0.02) =  13.359%  kept
          HB2   LEU   63 - HD2   PRO   52  14.62 +/- 2.68   9.598% *  8.3107% (1.00  1.00   0.02   0.02) =  10.996%  kept
          QB    ALA   84 - HD2   PRO   52  12.15 +/- 2.58  13.156% *  5.7087% (0.69  1.00   0.02   0.02) =  10.353%  kept
          HG2   LYS+ 111 - HD2   PRO   52  14.99 +/- 3.21   9.177% *  6.9417% (0.84  1.00   0.02   0.02) =   8.782%  kept
          QB    ALA  124 - HD2   PRO   52  22.75 +/- 4.14   7.822% *  7.4533% (0.90  1.00   0.02   0.02) =   8.037%  kept
          HB3   LEU   80 - HD2   PRO   52  17.51 +/- 3.13   4.509% *  8.1462% (0.98  1.00   0.02   0.02) =   5.063%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  20.45 +/- 2.29   2.084% * 12.8231% (0.15 10.00   0.02   0.02) =   3.685%  kept
          HG    LEU   98 - HD2   PRO   52  23.05 +/- 2.67   1.469% *  6.6547% (0.80  1.00   0.02   0.02) =   1.347%  kept
          HB2   LEU   31 - HD2   PRO   52  25.98 +/- 2.21   1.081% *  7.4533% (0.90  1.00   0.02   0.02) =   1.111%  kept
          HG2   LYS+  99 - HD2   PRO   52  27.89 +/- 2.43   0.906% *  4.7052% (0.57  1.00   0.02   0.02) =   0.588%  kept
          HG2   LYS+  38 - HD2   PRO   52  31.69 +/- 2.65   0.664% *  3.7260% (0.45  1.00   0.02   0.02) =   0.341%  kept
    Distance limit 3.69 A violated in 20 structures by 3.70 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 = 222.7:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  98.021% * 97.1447% (0.80  10.0 10.00   7.35 222.76) =  99.984%  kept
        T HA    SER   48 - HD3   PRO   52   8.86 +/- 1.30   1.165% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.015%
        T HB2   SER   82 - HD3   PRO   52  21.78 +/- 3.51   0.064% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HD3   PRO   52  17.17 +/- 3.40   0.147% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  23.90 +/- 2.66   0.046% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  23.27 +/- 3.96   0.051% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  16.84 +/- 2.54   0.166% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  18.77 +/- 3.24   0.132% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.78 +/- 3.09   0.122% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  30.82 +/- 2.48   0.020% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.92 +/- 2.49   0.022% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.09 +/- 2.59   0.018% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  28.90 +/- 4.55   0.027% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 7.33, residual support = 221.3:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  92.456% * 88.4380% (0.87  10.0 10.00   7.35 222.76) =  99.128%  kept
          HB2   CYS   53 - HD2   PRO   52   4.34 +/- 0.53   6.975% * 10.3043% (0.38   1.0  1.00   5.39  55.11) =   0.871%  kept
        T HB3   SER   82 - HD2   PRO   52  20.58 +/- 3.08   0.070% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HD2   PRO   52  13.55 +/- 2.81   0.287% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.55 +/- 2.63   0.031% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  28.25 +/- 3.67   0.027% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  17.25 +/- 1.87   0.111% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.37 +/- 1.54   0.025% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.39 +/- 2.43   0.019% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.5:
      O   HA1   GLY   51 - HD3   PRO   52   2.48 +/- 0.48  92.635% * 97.0168% (0.76  10.0  1.00   3.95  13.53) =  99.990%  kept
          HB    THR   77 - HD3   PRO   52  12.60 +/- 3.00   2.224% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ILE  103 - HD3   PRO   52  24.54 +/- 1.35   0.132% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HD3   PRO   52  11.06 +/- 1.37   2.487% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   39 - HD3   PRO   52  29.07 +/- 2.24   0.083% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD3   PRO   52  14.24 +/- 1.53   0.830% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  18.28 +/- 3.54   0.670% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HD3   PRO   52  17.64 +/- 3.14   0.543% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HD3   PRO   52  21.39 +/- 3.43   0.305% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  36.92 +/- 4.37   0.044% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  35.02 +/- 3.68   0.047% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.13, residual support = 13.5:
      O   HA1   GLY   51 - HD2   PRO   52   3.12 +/- 0.31  91.785% * 92.3448% (0.34  10.0  1.00   5.13  13.53) =  99.948%  kept
        T HA    SER   85 - HD2   PRO   52  17.82 +/- 3.01   0.763% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.024%
          HB    THR   77 - HD2   PRO   52  11.60 +/- 2.71   3.580% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.011%
        T HA    ILE  103 - HD2   PRO   52  23.28 +/- 1.27   0.241% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - HD2   PRO   52  12.80 +/- 1.44   1.637% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HA    THR   39 - HD2   PRO   52  27.70 +/- 2.05   0.152% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - HD2   PRO   52  16.66 +/- 3.02   0.907% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HD2   PRO   52  20.74 +/- 2.92   0.416% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  35.61 +/- 4.33   0.072% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  29.36 +/- 3.88   0.136% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  33.68 +/- 3.61   0.085% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.91 +/- 1.74   0.226% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 222.7:
      O   HG2   PRO   52 - HD3   PRO   52   2.91 +/- 0.00  92.726% * 99.6603% (0.90  10.0   6.60 222.76) =  99.997%  kept
          HG2   MET   92 - HD3   PRO   52  10.32 +/- 3.69   4.836% *  0.0417% (0.38   1.0   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD3   PRO   52  15.32 +/- 2.19   0.854% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.04 +/- 1.74   0.879% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  17.48 +/- 2.87   0.542% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  29.30 +/- 3.18   0.105% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.15 +/- 2.87   0.058% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 222.7:
      O   HG3   PRO   52 - HD3   PRO   52   2.30 +/- 0.00  96.458% * 99.3977% (0.97  10.0  1.00   6.60 222.76) =  99.994%  kept
        T HB2   PRO   93 - HD3   PRO   52   9.29 +/- 2.51   2.630% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.006%
          HG2   PRO   58 - HD3   PRO   52  13.96 +/- 1.51   0.503% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HD3   PRO   52  25.11 +/- 4.55   0.166% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  30.59 +/- 3.35   0.046% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  23.33 +/- 3.26   0.111% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  37.38 +/- 3.55   0.025% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.74 +/- 2.39   0.061% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.567, support = 6.77, residual support = 222.0:
      O   HB3   PRO   52 - HD3   PRO   52   3.80 +/- 0.29  71.550% * 96.7728% (0.57  10.0   6.80 222.76) =  99.638%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.58 +/- 0.84  11.836% *  1.9831% (0.95   1.0   0.25   1.93) =   0.338%  kept
          HB3   GLN   90 - HD3   PRO   52  12.49 +/- 4.28   4.752% *  0.1306% (0.76   1.0   0.02   0.02) =   0.009%
          HG    LEU  123 - HD3   PRO   52  22.62 +/- 5.08   3.445% *  0.0968% (0.57   1.0   0.02   0.02) =   0.005%
          QB    LYS+  81 - HD3   PRO   52  16.12 +/- 3.49   1.546% *  0.1174% (0.69   1.0   0.02   0.02) =   0.003%
          HB    ILE   56 - HD3   PRO   52  10.64 +/- 1.22   3.659% *  0.0426% (0.25   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HD3   PRO   52  23.93 +/- 4.69   0.890% *  0.1675% (0.98   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD3   PRO   52  18.29 +/- 2.34   0.703% *  0.1106% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   PRO   52  22.57 +/- 1.83   0.392% *  0.1578% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HD3   PRO   52  25.12 +/- 1.34   0.256% *  0.1650% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  27.53 +/- 2.58   0.208% *  0.1428% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.00 +/- 2.06   0.300% *  0.0528% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  23.44 +/- 1.23   0.317% *  0.0338% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  32.38 +/- 2.87   0.147% *  0.0264% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.08, residual support = 55.1:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.01  98.137% * 99.2992% (0.61   6.08  55.11) =  99.996%  kept
          HN    LEU   80 - HD3   PRO   52  17.13 +/- 3.27   1.334% *  0.2023% (0.38   0.02   0.02) =   0.003%
          HN    THR   26 - HD3   PRO   52  26.20 +/- 2.91   0.314% *  0.3486% (0.65   0.02   0.02) =   0.001%
          HN    ALA   34 - HD3   PRO   52  29.00 +/- 2.26   0.214% *  0.1498% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.25 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   2.88 +/- 0.88  99.337% * 99.4721% (0.92   3.54  13.53) =  99.996%  kept
          HN    VAL  107 - HD3   PRO   52  18.00 +/- 2.46   0.663% *  0.5279% (0.87   0.02   0.02) =   0.004%
    Distance limit 4.12 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 1.67, residual support = 1.83:
          HN    ARG+  54 - HD2   PRO   52   4.39 +/- 0.24  66.937% * 83.3521% (0.61   1.77   1.93) =  93.770%  kept
          HN    PHE   55 - HD2   PRO   52   5.94 +/- 0.37  28.043% * 13.0196% (0.73   0.23   0.33) =   6.136%  kept
          HN    ASP-  62 - HD2   PRO   52  13.59 +/- 1.96   3.068% *  1.4341% (0.92   0.02   0.02) =   0.074%
          HN    LEU   31 - HD2   PRO   52  25.33 +/- 2.18   0.395% *  1.4993% (0.97   0.02   0.02) =   0.010%
          HN    ALA   88 - HD2   PRO   52  17.45 +/- 2.81   1.340% *  0.3874% (0.25   0.02   0.02) =   0.009%
          HN    LYS+  38 - HD2   PRO   52  30.58 +/- 2.16   0.216% *  0.3074% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 55.1:
          HN    CYS   53 - HD2   PRO   52   2.27 +/- 0.02  99.470% * 99.4794% (0.61   8.19  55.11) =  99.999%  kept
          HN    LEU   80 - HD2   PRO   52  16.13 +/- 3.14   0.382% *  0.1503% (0.38   0.02   0.02) =   0.001%
          HN    THR   26 - HD2   PRO   52  25.03 +/- 2.78   0.088% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.66 +/- 2.12   0.060% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.924, support = 1.42, residual support = 7.19:
          QB    CYS   50 - HB3   CYS   53   3.93 +/- 0.95  74.075% * 79.0336% (0.92   1.48   7.60) =  94.533%  kept
          QE    LYS+  74 - HB3   CYS   53  10.34 +/- 2.85  17.156% * 19.4562% (0.95   0.36   0.02) =   5.390%  kept
          HB3   ASP-  78 - HB3   CYS   53  12.92 +/- 3.17   6.063% *  0.6539% (0.57   0.02   0.02) =   0.064%
          HB3   ASN   69 - HB3   CYS   53  21.60 +/- 2.64   0.643% *  0.6539% (0.57   0.02   0.02) =   0.007%
          HB2   PHE   72 - HB3   CYS   53  15.87 +/- 2.57   2.064% *  0.2023% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.16 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.49, residual support = 7.56:
        T QB    CYS   50 - HB2   CYS   53   3.41 +/- 1.35  75.299% * 97.5498% (0.92 10.00   1.50   7.60) =  99.470%  kept
          QE    LYS+  74 - HB2   CYS   53  10.43 +/- 2.71  17.580% *  2.2098% (0.90  1.00   0.35   0.02) =   0.526%  kept
          HB3   ASP-  78 - HB2   CYS   53  12.96 +/- 3.33   5.374% *  0.0247% (0.18  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HB2   CYS   53  16.14 +/- 2.69   1.185% *  0.0798% (0.57  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HB2   CYS   53  21.77 +/- 3.06   0.563% *  0.1360% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.937, support = 0.0199, residual support = 0.0199:
        T QG2   ILE   56 - HA    CYS   53   3.46 +/- 1.37  77.626% * 41.1882% (0.95 10.00   0.02   0.02) =  97.116%  kept
          QB    ALA   91 - HA    CYS   53   9.36 +/- 2.30  13.300% *  3.9049% (0.90  1.00   0.02   0.02) =   1.578%  kept
        T HG13  ILE   19 - HA    CYS   53  21.25 +/- 2.77   0.763% * 24.6510% (0.57 10.00   0.02   0.02) =   0.571%  kept
        T HG    LEU   71 - HA    CYS   53  21.14 +/- 3.15   0.582% * 13.4389% (0.31 10.00   0.02   0.02) =   0.238%  kept
          HG2   LYS+  74 - HA    CYS   53  13.28 +/- 3.25   4.467% *  1.4852% (0.34  1.00   0.02   0.02) =   0.202%  kept
          QB    ALA   34 - HA    CYS   53  19.40 +/- 1.96   0.893% *  3.4865% (0.80  1.00   0.02   0.02) =   0.095%
          QG2   THR   39 - HA    CYS   53  20.27 +/- 1.84   0.768% *  3.9049% (0.90  1.00   0.02   0.02) =   0.091%
          QG2   THR   23 - HA    CYS   53  19.25 +/- 3.08   0.892% *  1.9521% (0.45  1.00   0.02   0.02) =   0.053%
          HG3   LYS+  38 - HA    CYS   53  28.30 +/- 2.76   0.275% *  4.3541% (1.00  1.00   0.02   0.02) =   0.036%
          HG3   LYS+  99 - HA    CYS   53  23.99 +/- 2.97   0.434% *  1.6341% (0.38  1.00   0.02   0.02) =   0.022%
    Distance limit 3.37 A violated in 4 structures by 0.59 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.77, residual support = 44.1:
      O   HN    CYS   53 - HA    CYS   53   2.73 +/- 0.05  99.042% * 99.7861% (0.61  10.0   4.77  44.08) =  99.999%  kept
          HN    LEU   80 - HA    CYS   53  16.68 +/- 3.14   0.593% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  23.67 +/- 2.89   0.202% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  24.87 +/- 2.58   0.163% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 44.1:
      O   HN    CYS   53 - HB2   CYS   53   2.64 +/- 0.42  98.400% * 99.7861% (0.61  10.0   4.91  44.08) =  99.999%  kept
          HN    LEU   80 - HB2   CYS   53  15.57 +/- 2.78   1.112% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HB2   CYS   53  23.13 +/- 2.91   0.294% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  25.11 +/- 2.52   0.193% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.956, support = 5.46, residual support = 31.2:
          HN    ARG+  54 - HB2   CYS   53   3.25 +/- 0.32  76.067% * 94.2272% (0.97   5.52  31.61) =  98.664%  kept
          HN    PHE   55 - HB2   CYS   53   5.16 +/- 0.28  19.428% *  4.9210% (0.31   0.90   0.02) =   1.316%  kept
          HN    ASP-  62 - HB2   CYS   53  10.16 +/- 1.99   4.013% *  0.3345% (0.95   0.02   0.02) =   0.018%
          HN    LEU   31 - HB2   CYS   53  23.00 +/- 2.52   0.337% *  0.3171% (0.90   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   CYS   53  27.85 +/- 2.61   0.155% *  0.2002% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.34, residual support = 31.6:
          HN    ARG+  54 - HB3   CYS   53   3.90 +/- 0.35  86.147% * 99.1694% (0.87   5.34  31.61) =  99.963%  kept
          HN    ASP-  62 - HB3   CYS   53  10.04 +/- 2.42  12.942% *  0.2253% (0.53   0.02   0.02) =   0.034%
          HN    LYS+  38 - HB3   CYS   53  27.46 +/- 2.52   0.304% *  0.4133% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   CYS   53  22.69 +/- 2.34   0.607% *  0.1920% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.86, residual support = 168.4:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.78 +/- 0.24  86.451% * 99.8484% (0.87  10.0 10.00   4.86 168.40) =  99.996%  kept
          QB    ALA   57 - HD2   ARG+  54   6.89 +/- 1.60  12.484% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  123 - HD2   ARG+  54  21.34 +/- 3.60   0.319% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   ARG+  54  17.50 +/- 3.42   0.505% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.45 +/- 4.84   0.240% *  0.0516% (0.45   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 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.863, support = 3.6, residual support = 166.3:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  84.657% * 80.9529% (0.87  10.0 10.00   3.61 168.40) =  98.695%  kept
          QB    PHE   55 - HD3   ARG+  54   6.24 +/- 1.52  11.610% *  6.7987% (0.49   1.0  1.00   2.99   4.51) =   1.137%  kept
          HB3   CYS   53 - HD3   ARG+  54   8.08 +/- 0.80   0.954% * 12.1157% (0.80   1.0  1.00   3.24  31.61) =   0.166%  kept
          HD3   PRO   93 - HD3   ARG+  54  12.57 +/- 3.23   1.801% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HD3   ARG+  54  19.00 +/- 6.17   0.647% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.12 +/- 1.80   0.332% *  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 = 3.61, residual support = 168.4:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  98.463% * 99.9131% (1.00  10.0 10.00   3.61 168.40) =  99.999%  kept
          HB3   HIS   22 - HD2   ARG+  54  23.36 +/- 6.51   1.537% *  0.0869% (0.87   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 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 168.4:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.67 +/- 0.27  86.650% * 99.8484% (0.87  10.0 10.00   3.74 168.40) =  99.996%  kept
          QB    ALA   57 - HD3   ARG+  54   6.99 +/- 1.93  12.419% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  123 - HD3   ARG+  54  21.42 +/- 3.75   0.269% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   ARG+  54  17.86 +/- 3.44   0.509% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.26 +/- 4.87   0.153% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 168.3:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.53 +/- 0.27  90.619% * 97.6350% (0.49  10.0 10.00   3.89 168.40) =  99.959%  kept
        T HG3   PRO   68 - HD3   ARG+  54  20.01 +/- 6.73   3.252% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.030%
          HB    ILE   56 - HD3   ARG+  54   9.52 +/- 1.46   2.396% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   58 - HD3   ARG+  54  11.46 +/- 1.98   1.289% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD3   ARG+  54  15.60 +/- 3.01   0.662% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   ARG+  54  18.53 +/- 3.55   0.469% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   ARG+  54  19.82 +/- 3.18   0.270% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  24.78 +/- 4.84   0.246% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.98 +/- 2.37   0.225% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  22.83 +/- 3.41   0.217% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  30.87 +/- 5.64   0.112% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.72 +/- 4.29   0.143% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  26.68 +/- 3.13   0.101% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 168.4:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.50 +/- 0.45  76.011% * 99.0727% (0.73  10.0   4.04 168.40) =  99.979%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.77 +/- 2.92  16.250% *  0.0561% (0.41   1.0   0.02   0.02) =   0.012%
          HB3   PRO   68 - HD3   ARG+  54  20.88 +/- 6.33   3.557% *  0.0883% (0.65   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HD3   ARG+  54  16.30 +/- 1.94   0.923% *  0.1317% (0.97   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HD3   ARG+  54  21.01 +/- 2.78   0.458% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  17.02 +/- 2.89   0.928% *  0.0465% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HD3   ARG+  54  25.30 +/- 5.42   0.300% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   ARG+  54  24.81 +/- 4.83   0.298% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HD3   ARG+  54  23.00 +/- 5.81   0.576% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  31.56 +/- 4.85   0.159% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  25.38 +/- 5.30   0.345% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.86 +/- 4.76   0.193% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 168.4:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  96.016% * 97.1361% (0.92  10.0 10.00   4.97 168.40) =  99.992%  kept
        T HG3   PRO   68 - HG3   ARG+  54  20.35 +/- 6.30   0.546% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HB    ILE   56 - HG3   ARG+  54   9.00 +/- 0.96   0.814% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  26.58 +/- 3.97   0.040% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.80 +/- 1.35   1.598% *  0.0208% (0.20   1.0  1.00   0.02   1.93) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  20.16 +/- 3.90   0.119% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  17.25 +/- 3.49   0.189% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  18.90 +/- 3.32   0.129% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.26 +/- 1.79   0.080% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.27 +/- 3.16   0.063% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  14.36 +/- 2.83   0.275% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  25.94 +/- 2.67   0.034% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  24.56 +/- 4.36   0.065% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  30.70 +/- 5.26   0.031% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.13, residual support = 168.4:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.51 +/- 0.18  96.398% * 97.7423% (0.31  10.0   5.13 168.40) =  99.992%  kept
          HB3   PRO   68 - HG3   ARG+  54  21.14 +/- 6.03   0.824% *  0.3104% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HG3   ARG+  54  16.27 +/- 2.32   0.442% *  0.2420% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HG3   ARG+  54  16.24 +/- 2.12   0.455% *  0.1921% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   ARG+  54  25.13 +/- 4.96   0.221% *  0.2840% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   ARG+  54  23.30 +/- 5.15   0.217% *  0.2175% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   ARG+  54  24.59 +/- 4.42   0.201% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  25.59 +/- 4.67   0.142% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.69 +/- 1.36   0.434% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  20.04 +/- 2.24   0.213% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  27.79 +/- 4.24   0.114% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  31.20 +/- 4.45   0.067% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  22.71 +/- 4.45   0.273% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 168.4:
      O   HA    ARG+  54 - HG3   ARG+  54   3.31 +/- 0.66  95.515% * 99.5710% (1.00  10.0   5.75 168.40) =  99.997%  kept
          HA    LEU  115 - HG3   ARG+  54  15.60 +/- 1.66   1.334% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG3   ARG+  54  19.69 +/- 3.22   0.876% *  0.0644% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   ARG+  54  25.50 +/- 4.08   0.353% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  25.98 +/- 3.84   0.407% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.11 +/- 1.36   0.823% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  27.83 +/- 4.12   0.291% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  33.66 +/- 4.71   0.178% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.55 +/- 4.14   0.223% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 168.4:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.67 +/- 0.27  98.350% * 99.9462% (0.76  10.0 10.00   3.74 168.40) =  99.999%  kept
          HB3   HIS   22 - HG3   ARG+  54  22.83 +/- 6.23   1.650% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.856, support = 4.82, residual support = 161.9:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.78 +/- 0.24  68.455% * 76.9843% (0.87  10.0 10.00   4.86 168.40) =  95.778%  kept
          QB    PHE   55 - HG3   ARG+  54   5.58 +/- 1.20  19.119% *  8.1135% (0.49   1.0  1.00   3.76   4.51) =   2.819%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.80 +/- 0.76   5.200% * 14.7760% (0.80   1.0  1.00   4.16  31.61) =   1.396%  kept
          HD3   PRO   93 - HG3   ARG+  54  11.30 +/- 3.07   5.279% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          HD3   PRO   68 - HG3   ARG+  54  19.25 +/- 5.73   0.852% *  0.0502% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   ARG+  54  11.88 +/- 1.73   1.095% *  0.0221% (0.25   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 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.64, residual support = 168.4:
          HN    ARG+  54 - HG3   ARG+  54   3.57 +/- 0.76  90.020% * 99.3310% (0.87   6.64 168.40) =  99.979%  kept
          HN    ASP-  62 - HG3   ARG+  54  11.75 +/- 2.73   9.418% *  0.1815% (0.53   0.02   0.02) =   0.019%
          HN    LYS+  38 - HG3   ARG+  54  30.47 +/- 4.69   0.227% *  0.3329% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   ARG+  54  26.05 +/- 4.11   0.335% *  0.1547% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.17 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 = 168.4:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  93.299% * 98.1061% (0.87  10.0 10.00   4.97 168.40) =  99.995%  kept
        T HG3   ARG+  54 - HG3   PRO   68  20.35 +/- 6.30   0.531% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG2   ARG+  54   6.29 +/- 1.88   5.027% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG3   PRO   68  16.09 +/- 6.74   0.423% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG2   ARG+  54  21.06 +/- 3.87   0.089% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  17.01 +/- 3.00   0.138% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.62 +/- 4.57   0.068% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  16.67 +/- 3.26   0.171% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  24.78 +/- 3.88   0.074% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  15.02 +/- 1.95   0.179% *  0.0060% (0.05   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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.161, support = 3.35, residual support = 42.3:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  70.619% * 33.8555% (0.12  10.0  1.00   2.31  42.29) =  59.733%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.54 +/- 0.29  25.546% * 63.0750% (0.22  10.0  1.00   4.89  42.29) =  40.257%  kept
          HB2   GLN   17 - HG3   PRO   68  13.66 +/- 6.00   0.857% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HG2   ARG+  54  20.74 +/- 5.51   0.196% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG2   ARG+  54  20.41 +/- 5.89   0.294% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   30 - HG2   ARG+  54  23.99 +/- 4.58   0.066% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG3   PRO   68  13.73 +/- 4.95   0.423% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG2   ARG+  54  16.12 +/- 2.31   0.108% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  15.43 +/- 1.51   0.114% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.81 +/- 3.82   0.410% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  22.59 +/- 5.22   0.060% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  22.02 +/- 4.63   0.093% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.08 +/- 4.38   0.268% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  24.96 +/- 4.76   0.037% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.52 +/- 5.17   0.079% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  27.17 +/- 4.48   0.034% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  15.69 +/- 2.06   0.124% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.61 +/- 3.11   0.110% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.29 +/- 3.59   0.048% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  24.25 +/- 4.32   0.045% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  15.31 +/- 4.27   0.203% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  20.30 +/- 4.44   0.142% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.33 +/- 2.64   0.105% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  30.71 +/- 4.21   0.017% *  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 = 0.728, support = 4.78, residual support = 138.6:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.87 +/- 0.17  31.700% * 68.3366% (0.87  10.0 10.00   4.84 168.40) =  77.513%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.62 +/- 0.29  41.013% * 11.9018% (0.15  10.0  1.00   4.83  42.29) =  17.466%  kept
          QB    PHE   55 - HG2   ARG+  54   5.45 +/- 1.52  13.554% *  6.8682% (0.49   1.0  1.00   3.58   4.51) =   3.331%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.32 +/- 0.71   3.716% * 12.5540% (0.80   1.0  1.00   3.98  31.61) =   1.669%  kept
          HD3   PRO   93 - HG2   ARG+  54  11.15 +/- 3.25   7.004% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.012%
        T HD2   ARG+  54 - HG3   PRO   68  20.21 +/- 6.69   0.989% *  0.1824% (0.23   1.0 10.00   0.02   0.02) =   0.006%
          HD3   PRO   68 - HG2   ARG+  54  18.80 +/- 5.39   0.519% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  11.33 +/- 1.60   0.584% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  19.39 +/- 3.60   0.180% *  0.0168% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  22.53 +/- 4.03   0.168% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  18.73 +/- 3.31   0.203% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.60 +/- 2.51   0.371% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 168.4:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.53 +/- 0.27  96.536% * 99.7339% (0.31  10.0 10.00   3.89 168.40) =  99.990%  kept
        T HD3   ARG+  54 - HG3   PRO   68  20.01 +/- 6.73   3.464% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.010%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 168.4:
      O T HA    ARG+  54 - HG2   ARG+  54   2.74 +/- 0.61  88.808% * 97.8074% (1.00  10.0 10.00   5.69 168.40) =  99.982%  kept
        T HA    LEU  115 - HG2   ARG+  54  15.17 +/- 1.42   0.932% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.006%
        T HA    ARG+  54 - HG3   PRO   68  18.75 +/- 4.76   1.449% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  81 - HG2   ARG+  54  19.59 +/- 3.17   0.433% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU  115 - HG3   PRO   68  17.48 +/- 3.09   0.693% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   PRO   68  17.41 +/- 7.72   2.369% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  25.87 +/- 3.44   0.216% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  24.83 +/- 4.13   0.267% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.36 +/- 4.01   0.322% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  16.03 +/- 3.44   1.201% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  20.05 +/- 3.80   0.820% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.79 +/- 1.49   0.560% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  27.28 +/- 4.05   0.202% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  33.13 +/- 4.59   0.112% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  20.44 +/- 3.50   0.377% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.71 +/- 4.13   0.792% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.11 +/- 3.96   0.131% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  21.80 +/- 4.10   0.316% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.54, residual support = 168.4:
          HN    ARG+  54 - HG2   ARG+  54   3.41 +/- 0.43  85.957% * 99.0613% (0.87   6.54 168.40) =  99.980%  kept
          HN    ASP-  62 - HG2   ARG+  54  11.18 +/- 2.49   6.093% *  0.1837% (0.53   0.02   0.02) =   0.013%
          HN    LYS+  38 - HG3   PRO   68  17.00 +/- 3.46   2.237% *  0.0899% (0.26   0.02   0.02) =   0.002%
          HN    ASP-  62 - HG3   PRO   68  11.71 +/- 1.84   3.006% *  0.0490% (0.14   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG3   PRO   68  20.25 +/- 4.65   1.333% *  0.0808% (0.23   0.02   0.02) =   0.001%
          HN    LEU   31 - HG2   ARG+  54  25.44 +/- 4.23   0.397% *  0.1565% (0.45   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  29.96 +/- 4.47   0.169% *  0.3369% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   PRO   68  18.42 +/- 2.97   0.807% *  0.0418% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.889, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   6.41 +/- 1.58  51.195% * 19.4000% (0.97   0.02   0.02) =  67.056%  kept
          HD2   LYS+  74 - HB3   ARG+  54  15.37 +/- 3.66  12.207% * 14.5972% (0.73   0.02   0.02) =  12.030%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  16.38 +/- 3.11   5.189% * 19.7041% (0.98   0.02   0.02) =   6.903%  kept
          QD    LYS+  65 - HB3   ARG+  54  13.44 +/- 4.13  22.943% *  3.5205% (0.18   0.02   0.02) =   5.453%  kept
          QD    LYS+  33 - HB3   ARG+  54  26.06 +/- 4.62   3.512% * 19.4000% (0.97   0.02   0.02) =   4.599%  kept
          HB3   LEU  123 - HB3   ARG+  54  21.21 +/- 4.05   2.523% * 19.4000% (0.97   0.02   0.02) =   3.305%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  20.10 +/- 2.51   2.431% *  3.9782% (0.20   0.02   0.02) =   0.653%  kept
    Distance limit 3.15 A violated in 15 structures by 2.72 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 168.4:
      O   HN    ARG+  54 - HB3   ARG+  54   2.77 +/- 0.72  91.855% * 99.7769% (0.87  10.0   5.34 168.40) =  99.995%  kept
          HN    ASP-  62 - HB3   ARG+  54  11.40 +/- 2.69   7.493% *  0.0605% (0.53   1.0   0.02   0.02) =   0.005%
          HN    LEU   31 - HB3   ARG+  54  25.77 +/- 4.54   0.448% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  30.21 +/- 4.77   0.203% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.56, residual support = 168.4:
      O   HN    ARG+  54 - HB2   ARG+  54   2.77 +/- 0.47  92.246% * 99.6984% (0.87  10.0   6.56 168.40) =  99.997%  kept
          HN    ASP-  62 - HB2   ARG+  54  11.37 +/- 2.54   3.065% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HN    LYS+  38 - HB2   GLU-  14  16.04 +/- 5.07   1.122% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  14.48 +/- 4.19   1.577% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  30.30 +/- 4.46   0.101% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  25.96 +/- 4.07   0.164% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.82 +/- 5.55   0.434% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  19.75 +/- 4.59   0.649% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  20.43 +/- 3.19   0.314% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  27.93 +/- 3.92   0.138% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  27.71 +/- 3.20   0.122% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  34.81 +/- 4.35   0.068% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.248, support = 1.46, residual support = 27.7:
          QE    PHE   59 - HA    LEU  115   2.89 +/- 0.67  66.358% * 69.0639% (0.25   1.50  28.43) =  96.650%  kept
          QD    PHE   60 - HA    LEU  115   8.90 +/- 1.91   7.595% * 10.5911% (0.17   0.33   0.02) =   1.696%  kept
          HN    PHE   59 - HA    LEU  115   7.93 +/- 1.13   4.133% *  7.6907% (0.13   0.33  28.43) =   0.670%  kept
          QD    PHE   60 - HA    ARG+  54   7.61 +/- 2.22  11.479% *  2.1159% (0.57   0.02   0.02) =   0.512%  kept
          HN    PHE   59 - HA    ARG+  54   8.14 +/- 1.15   5.045% *  1.5365% (0.41   0.02   0.02) =   0.163%  kept
          QE    PHE   59 - HA    ARG+  54  11.19 +/- 1.70   2.285% *  2.9926% (0.80   0.02   0.02) =   0.144%  kept
          HN    LYS+  66 - HA    ARG+  54  13.67 +/- 3.35   1.771% *  3.6634% (0.98   0.02   0.02) =   0.137%  kept
          HN    LYS+  66 - HA    LEU  115  14.12 +/- 1.82   0.711% *  1.1272% (0.30   0.02   0.02) =   0.017%
          HN    LYS+  81 - HA    ARG+  54  20.20 +/- 2.97   0.424% *  0.9319% (0.25   0.02   0.02) =   0.008%
          HN    LYS+  81 - HA    LEU  115  22.82 +/- 2.27   0.198% *  0.2868% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.879, support = 6.11, residual support = 146.8:
      O   HN    ARG+  54 - HA    ARG+  54   2.75 +/- 0.06  62.652% * 75.5578% (0.97  10.0   6.53 168.40) =  86.828%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.54 +/- 0.05  29.701% * 24.1648% (0.31  10.0   3.31   4.51) =  13.165%  kept
          HN    ASP-  62 - HA    ARG+  54   9.32 +/- 2.36   4.116% *  0.0741% (0.95   1.0   0.02   0.02) =   0.006%
          HN    ASP-  62 - HA    LEU  115  10.61 +/- 1.39   1.395% *  0.0228% (0.29   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU  115  13.64 +/- 1.38   0.598% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.12 +/- 4.22   0.191% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  20.29 +/- 3.26   0.401% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  12.45 +/- 1.11   0.726% *  0.0074% (0.09   1.0   0.02   1.50) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  28.40 +/- 4.31   0.080% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  22.45 +/- 2.39   0.140% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.565, support = 4.31, residual support = 21.6:
          HN    ILE   56 - QB    PHE   55   2.97 +/- 0.45  82.486% * 95.2807% (0.57   4.32  21.70) =  99.668%  kept
          QE    PHE   60 - QB    PHE   55   9.21 +/- 2.33   9.725% *  2.4341% (0.25   0.25   0.02) =   0.300%  kept
          HN    LEU   63 - QB    PHE   55  11.24 +/- 1.57   2.340% *  0.5353% (0.69   0.02   0.02) =   0.016%
          HN    LYS+ 111 - QB    PHE   55  10.14 +/- 3.02   4.354% *  0.1735% (0.22   0.02   0.02) =   0.010%
          HZ2   TRP   87 - QB    PHE   55  19.72 +/- 3.75   0.380% *  0.6509% (0.84   0.02   0.02) =   0.003%
          HD21  ASN   28 - QB    PHE   55  22.44 +/- 2.70   0.284% *  0.7520% (0.97   0.02   0.02) =   0.003%
          HN    ALA   84 - QB    PHE   55  18.39 +/- 3.08   0.431% *  0.1735% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 3.04, residual support = 20.6:
      O   HN    PHE   55 - QB    PHE   55   2.06 +/- 0.08  88.647% * 87.2137% (0.73  10.0   3.04  20.82) =  98.356%  kept
          HN    ARG+  54 - QB    PHE   55   4.27 +/- 0.26  10.326% * 12.5058% (0.61   1.0   3.43   4.51) =   1.643%  kept
          HN    ASP-  62 - QB    PHE   55  10.49 +/- 1.09   0.741% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  23.13 +/- 3.01   0.084% *  0.1159% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.83 +/- 3.20   0.157% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.66 +/- 2.64   0.045% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.851, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.23 +/- 1.52  67.275% * 36.5548% (0.90   0.02   0.02) =  79.405%  kept
          HN    LYS+  81 - QB    PHE   55  19.75 +/- 3.06   7.802% * 40.3993% (0.99   0.02   0.02) =  10.177%  kept
          HN    LYS+  66 - QB    PHE   55  14.57 +/- 1.88  15.852% * 16.7569% (0.41   0.02   0.02) =   8.577%  kept
          HE3   TRP   27 - QB    PHE   55  19.58 +/- 2.85   9.071% *  6.2891% (0.15   0.02   0.02) =   1.842%  kept
    Distance limit 3.31 A violated in 20 structures by 4.78 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.253, support = 5.9, residual support = 122.8:
      O   HN    ILE   56 - HB    ILE   56   3.36 +/- 0.39  81.588% * 91.3813% (0.25  10.0   5.97 124.21) =  98.833%  kept
          QE    PHE   60 - HB    ILE   56   8.06 +/- 1.59  11.160% *  7.7805% (0.57   1.0   0.75   4.40) =   1.151%  kept
          HN    LEU   63 - HB    ILE   56   9.22 +/- 1.80   6.093% *  0.1250% (0.34   1.0   0.02   0.02) =   0.010%
          HZ2   TRP   87 - HB    ILE   56  19.63 +/- 4.01   0.604% *  0.3665% (1.00   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HB    ILE   56  22.09 +/- 3.64   0.555% *  0.3467% (0.95   1.0   0.02   0.02) =   0.003%
    Distance limit 3.28 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.521, support = 2.19, residual support = 16.1:
          QD    PHE   55 - HB    ILE   56   4.27 +/- 1.34  55.757% * 61.3476% (0.41   2.71  21.70) =  73.690%  kept
          QE    PHE   95 - HB    ILE   56   5.45 +/- 1.49  35.223% * 34.4773% (0.84   0.75   0.46) =  26.162%  kept
          HN    LEU   67 - HB    ILE   56  14.39 +/- 1.71   2.051% *  1.0910% (0.99   0.02   0.02) =   0.048%
          HN    THR   23 - HB    ILE   56  21.16 +/- 4.31   1.372% *  0.9548% (0.87   0.02   0.02) =   0.028%
          HD1   TRP   49 - HB    ILE   56  14.80 +/- 1.20   1.546% *  0.8412% (0.76   0.02   0.02) =   0.028%
          HD2   HIS   22 - HB    ILE   56  21.71 +/- 5.63   1.900% *  0.6676% (0.61   0.02   0.02) =   0.027%
          HE3   TRP   27 - HB    ILE   56  18.54 +/- 3.59   1.793% *  0.3755% (0.34   0.02   0.02) =   0.015%
          HD21  ASN   35 - HB    ILE   56  27.11 +/- 3.46   0.359% *  0.2451% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.28 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.65, residual support = 124.2:
      O T QD1   ILE   56 - HB    ILE   56   2.77 +/- 0.47  80.201% * 99.4902% (0.87  10.0 10.00   4.65 124.21) =  99.975%  kept
          QD2   LEU   73 - HB    ILE   56  12.82 +/- 4.52  15.878% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.014%
        T QD2   LEU  123 - HB    ILE   56  12.03 +/- 3.16   2.704% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.010%
          HG3   LYS+ 121 - HB    ILE   56  15.67 +/- 1.92   0.778% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  20.76 +/- 3.66   0.439% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.06, residual support = 124.0:
      O T QD1   ILE   56 - QG1   ILE   56   1.90 +/- 0.01  82.668% * 98.2187% (0.87  10.0 10.00   4.06 124.21) =  99.861%  kept
        T QD2   LEU   73 - QG1   ILE   56  10.35 +/- 4.05  15.958% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.135%  kept
        T HG3   LYS+ 121 - QG1   ILE   56  13.15 +/- 1.20   0.274% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - QG1   ILE   56  10.20 +/- 2.24   0.887% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  17.22 +/- 3.20   0.212% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.13, residual support = 124.2:
        T QG2   ILE   56 - QD1   ILE   56   2.48 +/- 0.63  92.688% * 98.5057% (0.72 10.00   5.13 124.21) =  99.989%  kept
        T QB    ALA   34 - QD1   ILE   56  14.68 +/- 2.21   0.592% *  1.1899% (0.87 10.00   0.02   0.02) =   0.008%
          QB    ALA   91 - QD1   ILE   56  10.43 +/- 2.03   2.554% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD1   ILE   56   9.06 +/- 1.70   2.907% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD1   ILE   56  16.32 +/- 3.68   0.520% *  0.1263% (0.93  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  15.22 +/- 1.80   0.537% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  21.09 +/- 2.72   0.202% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.888, support = 1.83, residual support = 1.69:
          QB    ALA   61 - QD1   ILE   56   5.94 +/- 1.59  23.349% * 56.9314% (0.94  1.00   2.10   2.20) =  68.323%  kept
          QB    ALA  110 - QD1   ILE   56   7.63 +/- 3.17  15.782% * 33.7759% (0.85  1.00   1.38   0.67) =  27.398%  kept
          HB3   LEU  115 - QD1   ILE   56   5.23 +/- 1.77  25.992% *  2.1948% (0.21  1.00   0.36   0.02) =   2.932%  kept
          HB3   LYS+  74 - QD1   ILE   56  12.48 +/- 3.53   5.041% *  2.5123% (0.24  1.00   0.37   0.02) =   0.651%  kept
          HG    LEU   73 - QD1   ILE   56  13.19 +/- 4.93   9.616% *  0.3738% (0.65  1.00   0.02   0.02) =   0.185%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  12.51 +/- 1.39   2.334% *  1.5129% (0.26 10.00   0.02   0.02) =   0.182%  kept
          QG    LYS+  66 - QD1   ILE   56   9.99 +/- 1.77   5.517% *  0.4720% (0.82  1.00   0.02   0.02) =   0.134%  kept
          HG12  ILE   19 - QD1   ILE   56  16.22 +/- 3.39   3.324% *  0.4545% (0.79  1.00   0.02   0.02) =   0.078%
          HB3   LEU   67 - QD1   ILE   56  12.23 +/- 1.54   1.857% *  0.5334% (0.93  1.00   0.02   0.02) =   0.051%
          HG    LEU   80 - QD1   ILE   56  17.01 +/- 3.27   0.837% *  0.5023% (0.87  1.00   0.02   0.02) =   0.022%
          HG    LEU   40 - QD1   ILE   56  13.56 +/- 2.44   2.332% *  0.1211% (0.21  1.00   0.02   0.02) =   0.015%
          HB2   LEU   80 - QD1   ILE   56  16.09 +/- 3.05   1.011% *  0.2237% (0.39  1.00   0.02   0.02) =   0.012%
          HG    LEU   67 - QD1   ILE   56  12.09 +/- 1.92   2.472% *  0.0840% (0.15  1.00   0.02   0.02) =   0.011%
          HG2   LYS+ 102 - QD1   ILE   56  19.83 +/- 2.25   0.539% *  0.3081% (0.54  1.00   0.02   0.02) =   0.009%
    Distance limit 3.24 A violated in 6 structures by 0.84 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.06, residual support = 124.2:
      O T QG1   ILE   56 - QD1   ILE   56   1.90 +/- 0.01  90.760% * 98.9931% (0.85  10.0 10.00   4.06 124.21) =  99.970%  kept
        T HB2   LEU   73 - QD1   ILE   56  13.41 +/- 4.66   3.906% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.027%
          HD2   LYS+ 111 - QD1   ILE   56   9.70 +/- 3.05   3.239% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   ILE   56   9.86 +/- 2.28   0.930% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  12.42 +/- 1.88   0.406% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.12 +/- 2.70   0.290% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.68 +/- 2.39   0.176% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  13.72 +/- 2.05   0.292% *  0.0414% (0.36   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 2689 (1.89, 0.79, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.62, residual support = 123.0:
      O T HB    ILE   56 - QD1   ILE   56   2.77 +/- 0.47  83.523% * 89.7521% (0.72  10.0 10.00   4.65 124.21) =  99.047%  kept
          HB3   PRO   58 - QD1   ILE   56   6.33 +/- 0.56   7.987% *  8.7072% (0.85   1.0  1.00   1.65   0.02) =   0.919%  kept
        T HB3   GLN   30 - QD1   ILE   56  17.02 +/- 3.63   1.834% *  1.1640% (0.94   1.0 10.00   0.02   0.02) =   0.028%
          HB2   MET   92 - QD1   ILE   56  10.62 +/- 2.33   2.303% *  0.1164% (0.94   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+ 106 - QD1   ILE   56  11.27 +/- 1.75   1.604% *  0.0401% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD1   ILE   56  20.60 +/- 2.50   0.345% *  0.1053% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.34 +/- 2.03   0.640% *  0.0362% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  15.23 +/- 2.17   0.777% *  0.0293% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.81 +/- 3.06   0.807% *  0.0232% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  27.43 +/- 4.60   0.179% *  0.0261% (0.21   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 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.39, residual support = 4.91:
        T HA    LYS+ 112 - QD1   ILE   56   5.42 +/- 2.50  48.038% * 99.8018% (0.79 10.00   1.39   4.91) =  99.934%  kept
          HB    THR   46 - QD1   ILE   56   8.26 +/- 2.33  28.147% *  0.0531% (0.29  1.00   0.02   0.02) =   0.031%
          HB2   HIS  122 - QD1   ILE   56  11.20 +/- 2.18  11.043% *  0.0973% (0.54  1.00   0.02   0.02) =   0.022%
          HB2   HIS   22 - QD1   ILE   56  17.95 +/- 4.95  12.772% *  0.0478% (0.26  1.00   0.02   0.02) =   0.013%
    Distance limit 3.27 A violated in 11 structures by 2.33 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.784, support = 3.39, residual support = 18.6:
          HA    PHE   55 - QD1   ILE   56   4.62 +/- 0.89  50.511% * 79.3089% (0.76   3.84  21.70) =  85.088%  kept
          HA    ALA  110 - QD1   ILE   56   8.47 +/- 4.25  35.383% * 19.7672% (0.94   0.77   0.67) =  14.856%  kept
          HA    VAL  107 - QD1   ILE   56   9.96 +/- 2.14   5.360% *  0.1934% (0.36   0.02   0.02) =   0.022%
          HA    GLN   90 - QD1   ILE   56  14.80 +/- 1.84   1.521% *  0.4874% (0.89   0.02   0.02) =   0.016%
          HA    ALA   91 - QD1   ILE   56  12.11 +/- 2.17   4.002% *  0.1285% (0.24   0.02   0.02) =   0.011%
          HA    VAL   42 - QD1   ILE   56  11.31 +/- 1.43   3.223% *  0.1147% (0.21   0.02   0.02) =   0.008%
    Distance limit 3.14 A violated in 0 structures by 0.78 A, kept.
 
    Peak 2692 (6.90, 0.79, 56.43 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56   9.22 +/- 1.68 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.45 A violated in 20 structures by 5.77 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.293, support = 1.56, residual support = 20.2:
          HN    PHE   59 - QD1   ILE   56   3.88 +/- 0.50  92.848% * 93.0902% (0.29   1.56  20.23) =  99.719%  kept
          HN    HIS  122 - QD1   ILE   56  10.91 +/- 1.31   5.049% *  3.3474% (0.82   0.02   0.02) =   0.195%  kept
          HH2   TRP   87 - QD1   ILE   56  16.60 +/- 3.64   2.104% *  3.5623% (0.87   0.02   0.02) =   0.086%
    Distance limit 3.54 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.59, residual support = 31.7:
          HN    ALA   57 - QD1   ILE   56   3.10 +/- 1.09  87.219% * 98.3593% (0.42   4.59  31.76) =  99.939%  kept
          HE21  GLN  116 - QD1   ILE   56   7.79 +/- 2.01  11.285% *  0.3589% (0.36   0.02   0.02) =   0.047%
          HE21  GLN   90 - QD1   ILE   56  17.14 +/- 1.98   1.103% *  0.9229% (0.91   0.02   0.02) =   0.012%
          HD21  ASN   35 - QD1   ILE   56  21.96 +/- 2.84   0.393% *  0.3589% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.286, support = 5.25, residual support = 103.9:
          HN    ILE   56 - QD1   ILE   56   3.04 +/- 1.03  64.138% * 64.9426% (0.24   6.05 124.21) =  83.020%  kept
          QE    PHE   60 - QD1   ILE   56   6.13 +/- 2.16  25.631% * 33.0882% (0.54   1.36   4.40) =  16.904%  kept
          HN    LEU   63 - QD1   ILE   56   6.72 +/- 1.63   8.698% *  0.2937% (0.32   0.02   0.02) =   0.051%
          HZ2   TRP   87 - QD1   ILE   56  16.18 +/- 3.50   1.104% *  0.8610% (0.95   0.02   0.02) =   0.019%
          HD21  ASN   28 - QD1   ILE   56  17.96 +/- 2.99   0.429% *  0.8145% (0.89   0.02   0.02) =   0.007%
    Distance limit 3.59 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 0.953, residual support = 4.86:
          HN    LYS+ 112 - QD1   ILE   56   6.76 +/- 2.53  57.524% * 95.4357% (0.50   0.96   4.91) =  98.969%  kept
          HN    ASP-  78 - QD1   ILE   56  13.26 +/- 2.22  12.779% *  2.4389% (0.61   0.02   0.02) =   0.562%  kept
          HN    VAL   75 - QD1   ILE   56  10.82 +/- 2.53  27.217% *  0.8394% (0.21   0.02   0.02) =   0.412%  kept
          HN    MET   11 - QD1   ILE   56  27.79 +/- 4.56   2.480% *  1.2860% (0.32   0.02   0.02) =   0.057%
    Distance limit 3.79 A violated in 11 structures by 2.34 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.2:
        T HB3   PHE   59 - QG1   ILE   56   2.68 +/- 0.65  92.735% * 99.8494% (0.38 10.00   3.00  20.23) =  99.988%  kept
          HB2   PHE   95 - QG1   ILE   56   7.58 +/- 1.39   7.265% *  0.1506% (0.57  1.00   0.02   0.46) =   0.012%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.383, support = 2.68, residual support = 20.3:
        T HB2   PHE   59 - QG1   ILE   56   3.52 +/- 1.00  48.963% * 71.3716% (0.34 10.00   2.48  20.23) =  84.556%  kept
          QB    PHE   55 - QG1   ILE   56   5.28 +/- 0.92  23.978% * 25.2588% (0.61  1.00   3.98  21.70) =  14.655%  kept
          HB3   CYS   53 - QG1   ILE   56   6.56 +/- 1.00  12.446% *  2.1832% (0.90  1.00   0.23   0.02) =   0.657%  kept
          HD2   ARG+  54 - QG1   ILE   56   8.64 +/- 1.17   4.386% *  0.8907% (0.95  1.00   0.09   0.02) =   0.095%
          HD3   PRO   93 - QG1   ILE   56   8.68 +/- 2.95   9.145% *  0.1519% (0.73  1.00   0.02   0.02) =   0.034%
          HD3   PRO   68 - QG1   ILE   56  13.74 +/- 1.56   1.083% *  0.1437% (0.69  1.00   0.02   0.02) =   0.004%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56   9.73 +/- 1.29 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 4.02 A violated in 20 structures by 5.72 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   3.56 +/- 0.59  92.162% * 96.4434% (0.34   1.97  20.23) =  99.896%  kept
          HN    HIS  122 - QG1   ILE   56  11.03 +/- 1.62   4.877% *  1.1802% (0.41   0.02   0.02) =   0.065%
          HH2   TRP   87 - QG1   ILE   56  17.35 +/- 3.65   1.387% *  1.3973% (0.49   0.02   0.02) =   0.022%
          HD1   TRP   27 - QG1   ILE   56  17.63 +/- 3.12   1.574% *  0.9792% (0.34   0.02   0.02) =   0.017%
    Distance limit 3.78 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.25, support = 5.01, residual support = 124.0:
      O   HN    ILE   56 - HA    ILE   56   2.74 +/- 0.20  92.026% * 96.3749% (0.25  10.0   5.01 124.21) =  99.848%  kept
          QE    PHE   60 - HA    ILE   56   8.54 +/- 1.46   4.718% *  2.7412% (0.57   1.0   0.25   4.40) =   0.146%  kept
          HN    LEU   63 - HA    ILE   56   9.38 +/- 1.04   2.753% *  0.1318% (0.34   1.0   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HA    ILE   56  21.31 +/- 3.75   0.271% *  0.3865% (1.00   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    ILE   56  23.21 +/- 3.61   0.233% *  0.3656% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 57.72 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 25.1:
        T HD2   PRO   58 - QB    ALA   57   2.42 +/- 0.63  72.228% * 98.8080% (0.95 10.00   5.07  25.12) =  99.982%  kept
          HB2   CYS   53 - QB    ALA   57   6.21 +/- 2.65  27.171% *  0.0356% (0.34  1.00   0.02   0.02) =   0.014%
        T HA    VAL   83 - QB    ALA   57  19.08 +/- 3.66   0.319% *  1.0238% (0.98 10.00   0.02   0.02) =   0.005%
          HA    GLU- 100 - QB    ALA   57  21.83 +/- 2.62   0.133% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  21.35 +/- 2.80   0.150% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2703 (7.44, 1.64, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.84, residual support = 24.1:
      O   HN    ALA   57 - QB    ALA   57   2.71 +/- 0.47  79.140% * 98.4865% (0.18  10.0   4.84  24.10) =  99.952%  kept
          HE21  GLN  116 - QB    ALA   57   9.74 +/- 4.11  14.692% *  0.1252% (0.22   1.0   0.02   0.02) =   0.024%
          HN    ALA  120 - QB    ALA   57  11.52 +/- 2.02   2.093% *  0.3184% (0.57   1.0   0.02   0.02) =   0.009%
          HN    ALA  124 - QB    ALA   57  14.95 +/- 3.29   1.367% *  0.4697% (0.84   1.0   0.02   0.02) =   0.008%
          HN    LEU  123 - QB    ALA   57  13.13 +/- 2.76   2.180% *  0.1918% (0.34   1.0   0.02   0.02) =   0.005%
          HE21  GLN   17 - QB    ALA   57  17.69 +/- 3.67   0.527% *  0.4084% (0.73   1.0   0.02   0.02) =   0.003%
    Distance limit 2.93 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   2.57 +/- 0.24  96.203% * 99.6015% (0.57  10.0   4.44  24.10) =  99.995%  kept
          HE21  GLN  116 - HA    ALA   57  11.49 +/- 3.94   2.359% *  0.1138% (0.65   1.0   0.02   0.02) =   0.003%
          HN    ALA  120 - HA    ALA   57  13.28 +/- 1.37   0.793% *  0.1698% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ALA  124 - HA    ALA   57  17.55 +/- 2.79   0.378% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  20.44 +/- 4.08   0.268% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.1:
      O T QB    ALA   57 - HA    ALA   57   2.14 +/- 0.01  92.490% * 98.9094% (0.53  10.0 10.00   2.81  24.10) =  99.993%  kept
          HD2   LYS+  74 - HA    ALA   57  13.01 +/- 4.59   1.121% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - HA    ALA   57  10.87 +/- 1.62   0.907% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    ALA   57   9.92 +/- 4.40   3.076% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    ALA   57  14.98 +/- 1.50   0.302% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    ALA   57  15.70 +/- 3.61   0.469% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  20.10 +/- 4.53   0.189% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.65 +/- 3.92   0.632% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  15.93 +/- 2.68   0.307% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  23.56 +/- 3.54   0.102% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  15.34 +/- 2.17   0.315% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.49 +/- 2.11   0.088% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.603, support = 0.02, residual support = 0.02:
          HN    GLN   32 - HB2   PRO   58  24.58 +/- 4.25  12.552% * 37.3861% (1.00   0.02   0.02) =  35.517%  kept
          HN    CYS   53 - HB2   PRO   58  11.95 +/- 1.91  56.836% *  5.7685% (0.15   0.02   0.02) =  24.814%  kept
          HN    ALA   34 - HB2   PRO   58  23.35 +/- 3.94  14.556% * 15.3699% (0.41   0.02   0.02) =  16.932%  kept
          HN    SER   85 - HB2   PRO   58  25.72 +/- 2.31   6.260% * 29.9364% (0.80   0.02   0.02) =  14.183%  kept
          HN    LEU   80 - HB2   PRO   58  22.58 +/- 3.04   9.795% * 11.5391% (0.31   0.02   0.02) =   8.555%  kept
    Distance limit 4.03 A violated in 20 structures by 7.55 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 6.22, residual support = 39.8:
      O   HN    PHE   59 - HB3   PRO   58   3.89 +/- 0.29  65.856% * 89.1314% (0.61  10.0   6.29  39.88) =  98.466%  kept
          QE    PHE   59 - HB3   PRO   58   8.27 +/- 0.84   8.137% * 10.1645% (0.83   1.0   1.67  39.88) =   1.388%  kept
          QD    PHE   60 - HB3   PRO   58   7.25 +/- 1.17  14.391% *  0.5671% (0.23   1.0   0.33   0.02) =   0.137%  kept
          HN    LYS+  66 - HB3   PRO   58  11.53 +/- 2.81   3.844% *  0.0938% (0.64   1.0   0.02   0.02) =   0.006%
          HN    HIS  122 - HB3   PRO   58  11.73 +/- 3.05   7.438% *  0.0243% (0.17   1.0   0.02   0.02) =   0.003%
          HH2   TRP   87 - HB3   PRO   58  24.65 +/- 3.55   0.333% *  0.0189% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.8:
      O   HD2   PRO   58 - HG3   PRO   58   2.50 +/- 0.27  95.088% * 99.7269% (0.95  10.0   5.39 147.85) =  99.998%  kept
          HB2   CYS   53 - HG3   PRO   58  10.34 +/- 2.59   4.571% *  0.0360% (0.34   1.0   0.02   0.02) =   0.002%
          HA    GLU- 100 - HG3   PRO   58  26.46 +/- 4.24   0.118% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.28 +/- 3.28   0.109% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  25.95 +/- 3.46   0.114% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 147.8:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  91.840% * 99.2991% (0.76  10.0   4.50 147.85) =  99.991%  kept
          HA    THR   46 - HG3   PRO   58  13.96 +/- 3.11   3.500% *  0.1254% (0.97   1.0   0.02   0.02) =   0.005%
          HA    GLN   17 - HG3   PRO   58  19.70 +/- 4.85   1.197% *  0.1199% (0.92   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HG3   PRO   58  20.92 +/- 3.01   0.840% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  16.79 +/- 1.70   1.306% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   58  23.84 +/- 4.23   0.581% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HG3   PRO   58  28.09 +/- 3.53   0.348% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  28.06 +/- 5.33   0.388% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.63, residual support = 25.1:
          HN    ALA   57 - HD2   PRO   58   2.72 +/- 1.11  70.062% * 98.6020% (0.54   5.64  25.12) =  99.823%  kept
          HE21  GLN  116 - HD2   PRO   58   9.54 +/- 4.19  23.960% *  0.3992% (0.61   0.02   0.02) =   0.138%  kept
          HN    ALA  120 - HD2   PRO   58  11.63 +/- 2.17   3.627% *  0.5956% (0.91   0.02   0.02) =   0.031%
          HN    ALA  124 - HD2   PRO   58  16.26 +/- 3.72   1.899% *  0.2316% (0.36   0.02   0.02) =   0.006%
          HE21  GLN   17 - HD2   PRO   58  21.72 +/- 4.51   0.452% *  0.1716% (0.26   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.51, residual support = 147.8:
      O   HA    PRO   58 - HD3   PRO   58   3.91 +/- 0.09  64.320% * 99.2639% (0.72  10.0   6.51 147.85) =  99.985%  kept
          HA    THR   46 - HD3   PRO   58  11.98 +/- 3.07   4.026% *  0.1254% (0.91   1.0   0.02   0.02) =   0.008%
          HA    GLN   17 - HD3   PRO   58  19.24 +/- 4.44   0.795% *  0.1199% (0.87   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HD3   PRO   58  15.38 +/- 1.58   1.230% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68  11.61 +/- 6.75  10.107% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  19.88 +/- 2.70   0.673% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  23.31 +/- 3.69   0.402% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HD3   PRO   58  27.31 +/- 3.01   0.246% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  27.58 +/- 4.73   0.281% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  14.14 +/- 4.96   3.900% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.92 +/- 2.84   4.587% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.14 +/- 2.65   4.059% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  16.84 +/- 3.44   1.498% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  13.91 +/- 1.75   1.682% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  17.41 +/- 3.11   1.242% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  18.25 +/- 4.82   0.952% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 3.98, residual support = 25.1:
          HN    ALA   57 - HD3   PRO   58   2.84 +/- 0.82  69.095% * 97.9277% (0.54   3.99  25.12) =  99.796%  kept
          HE21  GLN  116 - HD3   PRO   58   9.10 +/- 3.87  19.760% *  0.5607% (0.61   0.02   0.02) =   0.163%  kept
          HN    ALA  120 - HD3   PRO   58  11.22 +/- 1.67   2.669% *  0.8365% (0.91   0.02   0.02) =   0.033%
          HN    ALA  124 - HD3   PRO   58  15.97 +/- 3.04   1.026% *  0.3253% (0.36   0.02   0.02) =   0.005%
          HE21  GLN   17 - HD3   PRO   58  21.72 +/- 4.37   0.358% *  0.2410% (0.26   0.02   0.02) =   0.001%
          HE21  GLN   17 - HD2   PRO   68  14.50 +/- 5.51   3.632% *  0.0107% (0.01   0.02   0.02) =   0.001%
          HN    ALA  120 - HD2   PRO   68  15.26 +/- 4.70   0.708% *  0.0370% (0.04   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  15.48 +/- 7.05   1.558% *  0.0144% (0.02   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  15.79 +/- 1.81   0.662% *  0.0217% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  16.55 +/- 2.89   0.533% *  0.0248% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.1:
          QB    ALA   57 - HD3   PRO   58   2.87 +/- 0.80  73.367% * 96.7335% (0.87   3.30  25.12) =  99.928%  kept
          HD3   LYS+ 111 - HD3   PRO   58  14.08 +/- 3.40   4.011% *  0.5698% (0.85   0.02   0.02) =   0.032%
          HD2   LYS+  74 - HD3   PRO   58  15.19 +/- 3.78   1.336% *  0.6298% (0.94   0.02   0.02) =   0.012%
          QD    LYS+  65 - HD3   PRO   58  11.44 +/- 1.55   1.971% *  0.3093% (0.46   0.02   0.02) =   0.009%
          HB2   LYS+ 121 - HD3   PRO   58  13.48 +/- 1.97   1.238% *  0.3343% (0.50   0.02   0.02) =   0.006%
          HB3   LEU  123 - HD3   PRO   58  14.07 +/- 2.96   0.939% *  0.4110% (0.61   0.02   0.02) =   0.005%
          QD    LYS+  33 - HD3   PRO   58  22.93 +/- 3.81   0.388% *  0.4110% (0.61   0.02   0.02) =   0.002%
          HB    VAL   83 - HD3   PRO   58  21.87 +/- 3.61   0.497% *  0.2612% (0.39   0.02   0.02) =   0.002%
          QD    LYS+  65 - HD2   PRO   68   8.33 +/- 1.70   6.040% *  0.0137% (0.02   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   68  15.57 +/- 6.25   2.657% *  0.0182% (0.03   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD2   PRO   68  12.77 +/- 2.83   1.619% *  0.0279% (0.04   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   PRO   58  24.26 +/- 3.29   0.195% *  0.1767% (0.26   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  14.15 +/- 1.32   1.150% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  15.04 +/- 4.67   1.912% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  15.76 +/- 2.98   1.184% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  23.49 +/- 3.44   0.443% *  0.0252% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  15.34 +/- 3.18   0.819% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  22.29 +/- 2.83   0.236% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 25.1:
        T QB    ALA   57 - HD2   PRO   58   2.42 +/- 0.63  93.722% * 97.4262% (0.87 10.00   5.07  25.12) =  99.975%  kept
        T HD2   LYS+  74 - HD2   PRO   58  15.31 +/- 3.90   1.087% *  1.0461% (0.94 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  65 - HD2   PRO   58  11.47 +/- 1.63   1.387% *  0.5137% (0.46 10.00   0.02   0.02) =   0.008%
        T HB    VAL   83 - HD2   PRO   58  22.04 +/- 3.70   0.294% *  0.4339% (0.39 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   PRO   58  14.48 +/- 3.58   1.279% *  0.0947% (0.85  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   58  14.37 +/- 3.61   1.197% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  24.49 +/- 3.58   0.147% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  13.85 +/- 2.00   0.670% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.97 +/- 4.12   0.219% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.68, residual support = 147.8:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  97.921% * 99.6708% (0.89  10.0 10.00   7.68 147.85) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   8.81 +/- 1.91   1.207% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  16.35 +/- 1.52   0.130% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.43 +/- 3.48   0.054% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.43 +/- 3.45   0.042% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  25.02 +/- 3.10   0.044% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  18.05 +/- 3.83   0.179% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.58 +/- 2.91   0.242% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  18.21 +/- 3.01   0.136% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  24.26 +/- 3.02   0.044% *  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 = 7.68, residual support = 147.8:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.892% * 99.5891% (0.95  10.0 10.00   7.68 147.85) =  99.999%  kept
          HA    ALA   61 - HD2   PRO   58   8.84 +/- 0.88   0.847% *  0.0446% (0.42   1.0  1.00   0.02   0.89) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  16.35 +/- 1.52   0.131% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.98 +/- 2.72   0.130% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.683, support = 6.6, residual support = 39.9:
          HN    PHE   59 - HD2   PRO   58   3.26 +/- 0.64  88.240% * 86.2444% (0.69   6.65  39.88) =  98.866%  kept
          QE    PHE   59 - HD2   PRO   58   8.28 +/- 0.74   6.538% * 13.0674% (0.32   2.14  39.88) =   1.110%  kept
          HN    HIS  122 - HD2   PRO   58  13.04 +/- 2.80   4.834% *  0.3502% (0.93   0.02   0.02) =   0.022%
          HH2   TRP   87 - HD2   PRO   58  23.11 +/- 3.80   0.389% *  0.3380% (0.89   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.2:
        T QG1   ILE   56 - HB3   PHE   59   2.68 +/- 0.65  98.975% * 99.6917% (0.53 10.00   3.00  20.23) =  99.998%  kept
          HB    ILE   89 - HB3   PHE   59  17.37 +/- 2.20   0.513% *  0.1857% (0.98  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PHE   59  17.83 +/- 3.12   0.512% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 0.623, residual support = 5.01:
          HB3   ASP-  62 - HB3   PHE   59   5.71 +/- 1.12  45.142% * 60.7470% (0.45   0.75   6.20) =  79.149%  kept
          QE    LYS+ 112 - HB3   PHE   59   7.75 +/- 2.31  26.938% * 16.3505% (0.80   0.11   0.02) =  12.713%  kept
          HB    VAL  107 - HB3   PHE   59   8.77 +/- 2.34  19.112% * 13.3880% (0.38   0.20   1.37) =   7.385%  kept
          HB3   PHE   45 - HB3   PHE   59  11.62 +/- 1.77   7.162% *  2.8932% (0.80   0.02   0.02) =   0.598%  kept
          HB3   ASP-  86 - HB3   PHE   59  21.60 +/- 2.80   1.039% *  3.1342% (0.87   0.02   0.02) =   0.094%
          HG2   GLU-  29 - HB3   PHE   59  24.82 +/- 3.36   0.608% *  3.4870% (0.97   0.02   0.02) =   0.061%
    Distance limit 4.01 A violated in 8 structures by 1.09 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.48, residual support = 20.2:
        T QG1   ILE   56 - HB2   PHE   59   3.52 +/- 1.00  93.500% * 99.0024% (0.18 10.00   2.48  20.23) =  99.986%  kept
          HB    VAL   43 - HB2   PHE   59  13.27 +/- 1.40   2.741% *  0.1928% (0.34  1.00   0.02   0.02) =   0.006%
          HB    ILE   89 - HB2   PHE   59  18.47 +/- 2.16   0.923% *  0.3657% (0.65  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HB2   PHE   59  17.44 +/- 3.41   1.146% *  0.1410% (0.25  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HB2   PHE   59  18.04 +/- 3.52   1.095% *  0.1410% (0.25  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HB2   PHE   59  22.16 +/- 2.12   0.595% *  0.1572% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 58.3:
      O   HN    PHE   59 - HB3   PHE   59   2.45 +/- 0.40  97.910% * 99.4232% (0.31  10.0   4.97  58.35) =  99.994%  kept
          HN    HIS  122 - HB3   PHE   59  10.28 +/- 0.91   1.800% *  0.2794% (0.87   1.0   0.02   0.02) =   0.005%
          HH2   TRP   87 - HB3   PHE   59  19.94 +/- 3.84   0.289% *  0.2974% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.32, residual support = 58.4:
      O   HN    PHE   59 - HB2   PHE   59   2.42 +/- 0.45  80.970% * 93.3092% (1.00  10.0   4.36  58.35) =  98.651%  kept
          QE    PHE   59 - HB2   PHE   59   4.51 +/- 0.05  15.734% *  6.5563% (0.80   1.0   1.75  58.35) =   1.347%  kept
          HN    HIS  122 - HB2   PHE   59   9.51 +/- 0.93   1.679% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   PHE   59  10.42 +/- 1.36   1.430% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  20.81 +/- 3.90   0.188% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.19:
          HB2   ASP-  62 - HA    PHE   59   3.68 +/- 0.83  90.924% * 97.0773% (0.99  1.00   1.50   6.20) =  99.821%  kept
        T QB    ASP- 113 - HA    PHE   59  11.06 +/- 1.74   6.081% *  2.2871% (0.18 10.00   0.02   0.02) =   0.157%  kept
          HB2   PRO   52 - HA    PHE   59  13.55 +/- 1.53   2.995% *  0.6357% (0.49  1.00   0.02   0.02) =   0.022%
    Distance limit 3.67 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.177, support = 2.92, residual support = 6.13:
          HB3   ASP-  62 - HA    PHE   59   4.39 +/- 1.34  60.020% * 85.4423% (0.18  1.00   2.96   6.20) =  98.861%  kept
          HG3   GLN  116 - HA    PHE   59   7.88 +/- 2.79  30.501% *  1.1256% (0.34  1.00   0.02   0.44) =   0.662%  kept
          HG3   MET   96 - HA    PHE   59  14.46 +/- 2.72   7.479% *  1.7360% (0.53  1.00   0.02   0.02) =   0.250%  kept
        T HB3   TRP   87 - HA    PHE   59  20.27 +/- 2.23   1.008% *  9.1744% (0.28 10.00   0.02   0.02) =   0.178%  kept
          HG2   GLU-  36 - HA    PHE   59  25.60 +/- 3.13   0.993% *  2.5217% (0.76  1.00   0.02   0.02) =   0.048%
    Distance limit 3.91 A violated in 4 structures by 0.59 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   2.80 +/- 0.06  74.344% * 92.5580% (1.00  10.0   4.97  58.35) =  98.059%  kept
          QE    PHE   59 - HA    PHE   59   4.54 +/- 0.35  18.594% *  7.3086% (0.80   1.0   1.97  58.35) =   1.937%  kept
          HN    HIS  122 - HA    PHE   59   9.09 +/- 1.25   2.637% *  0.0561% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   8.65 +/- 2.13   4.200% *  0.0286% (0.31   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HA    PHE   59  21.32 +/- 3.96   0.225% *  0.0487% (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 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.02, residual support = 20.2:
          HN    PHE   60 - HB3   PHE   59   3.07 +/- 0.64  79.805% * 98.7619% (0.61   4.03  20.22) =  99.949%  kept
          HN    GLN  116 - HB3   PHE   59   6.35 +/- 1.21  13.878% *  0.1417% (0.18   0.02   0.44) =   0.025%
          HN    THR  118 - HB3   PHE   59   7.88 +/- 0.76   6.017% *  0.3036% (0.38   0.02  11.82) =   0.023%
          HN    GLU-  15 - HB3   PHE   59  22.15 +/- 3.05   0.301% *  0.7929% (0.98   0.02   0.02) =   0.003%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.977, support = 3.88, residual support = 71.0:
          QD    PHE   60 - HA    PHE   60   2.82 +/- 0.65  72.515% * 91.3128% (1.00   3.95  72.40) =  97.273%  kept
          QE    PHE   59 - HA    PHE   60   5.78 +/- 1.66  23.077% *  7.9803% (0.25   1.38  20.22) =   2.705%  kept
          HN    LYS+  66 - HA    PHE   60   8.01 +/- 0.74   4.155% *  0.3362% (0.73   0.02   0.02) =   0.021%
          HN    LYS+  81 - HA    PHE   60  19.82 +/- 3.08   0.252% *  0.3707% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 72.4:
      O   HN    PHE   60 - HA    PHE   60   2.78 +/- 0.11  94.671% * 99.7483% (0.61  10.0   4.92  72.40) =  99.997%  kept
          HN    THR  118 - HA    PHE   60  10.59 +/- 1.51   2.330% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    PHE   60   9.86 +/- 1.23   2.668% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  19.44 +/- 2.79   0.331% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 5.01, residual support = 41.4:
      O   HN    ALA   61 - HA    PHE   60   3.60 +/- 0.05  93.768% * 99.5823% (0.84  10.0   5.01  41.41) =  99.995%  kept
          HN    TRP   27 - HA    PHE   60  17.52 +/- 3.55   1.839% *  0.1182% (0.99   1.0   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    PHE   60  17.25 +/- 2.96   1.134% *  0.1069% (0.90   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  18.35 +/- 3.48   0.996% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    PHE   60  19.62 +/- 3.70   0.839% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    PHE   60  18.22 +/- 2.17   0.853% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  21.51 +/- 2.68   0.572% *  0.0184% (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 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.667, support = 0.612, residual support = 1.4:
          HA    ASP-  44 - HB2   PHE   60   8.09 +/- 3.06  20.814% * 68.0878% (1.00   0.54   2.14) =  60.215%  kept
          HA    ALA   57 - HB2   PHE   60   4.08 +/- 1.35  61.529% * 14.7460% (0.15   0.75   0.29) =  38.551%  kept
          HB    THR   77 - HB2   PHE   60  13.95 +/- 4.15   3.341% *  2.4981% (0.98   0.02   0.02) =   0.355%  kept
          HA    ILE  103 - HB2   PHE   60  16.98 +/- 1.83   1.757% *  2.3526% (0.92   0.02   0.02) =   0.176%  kept
          HA1   GLY   51 - HB2   PHE   60  12.87 +/- 1.49   3.991% *  0.9565% (0.38   0.02   0.02) =   0.162%  kept
          HA    THR   39 - HB2   PHE   60  18.34 +/- 2.92   2.292% *  1.2405% (0.49   0.02   0.02) =   0.121%  kept
          HA    MET   11 - HB2   PHE   60  28.19 +/- 4.61   0.844% *  2.5485% (1.00   0.02   0.02) =   0.091%
          HA    GLU-  79 - HB2   PHE   60  17.69 +/- 4.26   1.395% *  1.4429% (0.57   0.02   0.02) =   0.086%
          HA    SER   85 - HB2   PHE   60  21.99 +/- 3.56   0.701% *  2.4981% (0.98   0.02   0.02) =   0.074%
          HA    ALA   12 - HB2   PHE   60  26.08 +/- 4.17   1.235% *  1.3408% (0.53   0.02   0.02) =   0.070%
          HA    GLU-  14 - HB2   PHE   60  21.54 +/- 3.37   1.513% *  1.0477% (0.41   0.02   0.02) =   0.067%
          HA    ASP-  86 - HB2   PHE   60  23.00 +/- 3.72   0.590% *  1.2405% (0.49   0.02   0.02) =   0.031%
    Distance limit 3.98 A violated in 4 structures by 0.50 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   2.55 +/- 0.17  84.537% * 99.7759% (0.76  10.0   3.76  72.40) =  99.994%  kept
          HE3   TRP   27 - HB2   PHE   60  14.29 +/- 3.92  10.305% *  0.0326% (0.25   1.0   0.02   0.02) =   0.004%
          QD    PHE   55 - HB2   PHE   60   8.55 +/- 1.36   3.250% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   PHE   60   9.73 +/- 0.71   1.618% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  19.57 +/- 4.23   0.290% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.86, residual support = 41.4:
          HN    ALA   61 - HB2   PHE   60   3.37 +/- 0.47  93.130% * 95.7117% (0.38   4.87  41.41) =  99.948%  kept
          HN    TRP   27 - HB2   PHE   60  18.05 +/- 3.94   2.154% *  0.8394% (0.80   0.02   0.02) =   0.020%
          HD1   TRP   87 - HB2   PHE   60  18.32 +/- 3.78   0.860% *  0.9402% (0.90   0.02   0.02) =   0.009%
          HN    THR   39 - HB2   PHE   60  19.43 +/- 2.90   0.781% *  0.9677% (0.92   0.02   0.02) =   0.008%
          HN    ALA   91 - HB2   PHE   60  16.63 +/- 3.80   1.291% *  0.4700% (0.45   0.02   0.02) =   0.007%
          HN    GLU-  36 - HB2   PHE   60  22.55 +/- 3.49   0.654% *  0.5516% (0.53   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HB2   PHE   60  20.85 +/- 2.37   0.505% *  0.3576% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB2   PHE   60  19.75 +/- 3.53   0.625% *  0.1618% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.08 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   2.52 +/- 0.56  96.800% * 99.7483% (0.61  10.0   4.78  72.40) =  99.998%  kept
          HN    THR  118 - HB2   PHE   60  11.58 +/- 2.12   1.176% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  20.47 +/- 2.83   0.384% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   PHE   60  10.42 +/- 2.13   1.640% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.989, support = 3.17, residual support = 9.82:
        T QD1   LEU   63 - HA    PHE   60   3.29 +/- 1.05  54.328% * 77.7015% (1.00 10.00   3.27  10.04) =  95.182%  kept
          QD2   LEU   63 - HA    PHE   60   4.97 +/- 0.85  22.583% *  4.4030% (0.57  1.00   2.00  10.04) =   2.242%  kept
        T QD1   LEU   73 - HA    PHE   60  10.76 +/- 3.14   5.808% * 15.6586% (1.00 10.00   0.40   1.63) =   2.051%  kept
          QD2   LEU  115 - HA    PHE   60   6.49 +/- 1.05  12.911% *  1.7212% (0.84  1.00   0.53   0.02) =   0.501%  kept
        T QD1   LEU  104 - HA    PHE   60  13.31 +/- 2.97   2.214% *  0.4399% (0.57 10.00   0.02   0.02) =   0.022%
          QD2   LEU   80 - HA    PHE   60  15.49 +/- 3.06   1.061% *  0.0622% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    PHE   60  15.27 +/- 3.15   1.095% *  0.0136% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 1.5, residual support = 10.0:
        T HB2   LEU   63 - HA    PHE   60   3.38 +/- 0.67  51.608% * 98.8172% (0.92 10.00   1.50  10.04) =  99.898%  kept
          HB3   ASP-  44 - HA    PHE   60   6.46 +/- 3.11  23.736% *  0.1399% (0.98  1.00   0.02   2.14) =   0.065%
          HB3   PRO   93 - HA    PHE   60   9.07 +/- 3.13   7.993% *  0.1238% (0.87  1.00   0.02   0.02) =   0.019%
          HB2   LYS+ 112 - HA    PHE   60  11.37 +/- 1.77   4.062% *  0.0318% (0.22  1.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    PHE   60  12.14 +/- 3.34   5.671% *  0.0220% (0.15  1.00   0.02   1.63) =   0.002%
          HG    LEU   98 - HA    PHE   60  15.33 +/- 2.43   0.886% *  0.1377% (0.97  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    PHE   60  14.95 +/- 1.35   0.812% *  0.1424% (1.00  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    PHE   60  15.09 +/- 2.30   1.175% *  0.0866% (0.61  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    PHE   60  17.87 +/- 3.05   0.881% *  0.0980% (0.69  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HA    PHE   60  15.62 +/- 2.30   0.665% *  0.1280% (0.90  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    PHE   60  18.25 +/- 4.08   0.525% *  0.1192% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  14.94 +/- 2.85   0.718% *  0.0441% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  17.93 +/- 2.54   0.606% *  0.0487% (0.34  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    PHE   60  21.02 +/- 2.91   0.397% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.91 +/- 1.92   0.265% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.458, support = 0.715, residual support = 0.572:
        T QG2   VAL   18 - HA    ALA   61   8.84 +/- 4.05  23.069% * 54.9702% (0.34 10.00   0.58   0.12) =  60.505%  kept
          QD1   ILE   56 - HA    ALA   61   7.34 +/- 1.84  23.114% * 19.9737% (0.61  1.00   1.18   2.20) =  22.028%  kept
          QD2   LEU   73 - HA    ALA   61   8.24 +/- 1.78  15.081% * 15.2080% (0.87  1.00   0.63   0.02) =  10.943%  kept
          QG2   THR   46 - HA    ALA   61   8.01 +/- 2.95  22.559% *  4.7415% (0.25  1.00   0.68   0.17) =   5.103%  kept
        T QG1   VAL   41 - HA    ALA   61  12.06 +/- 1.92   6.080% *  4.2542% (0.76 10.00   0.02   0.02) =   1.234%  kept
          QG1   VAL   43 - HA    ALA   61  10.11 +/- 1.17   6.839% *  0.3152% (0.57  1.00   0.02   0.02) =   0.103%  kept
          HG    LEU   31 - HA    ALA   61  15.64 +/- 3.25   3.258% *  0.5372% (0.97  1.00   0.02   0.02) =   0.084%
    Distance limit 3.01 A violated in 12 structures by 1.90 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.43, residual support = 6.48:
        T QB    ALA   64 - HA    ALA   61   3.49 +/- 0.73  82.401% * 98.7496% (0.34 10.00   2.44   6.49) =  99.856%  kept
        T QG1   VAL   75 - HA    ALA   61   9.08 +/- 2.00   9.604% *  1.0865% (0.38 10.00   0.02   0.02) =   0.128%  kept
          QD1   LEU  115 - HA    ALA   61   8.63 +/- 1.04   7.995% *  0.1639% (0.57  1.00   0.02   0.02) =   0.016%
    Distance limit 3.41 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.49:
          HN    ALA   64 - HA    ALA   61   3.75 +/- 0.53 100.000% *100.0000% (0.84   0.75   6.49) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.75, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.81 +/- 0.08  97.108% * 98.9218% (0.38  10.0   2.75  17.89) =  99.995%  kept
          HN    THR   39 - HA    ALA   61  17.67 +/- 3.16   0.580% *  0.2433% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ALA   61  16.74 +/- 2.26   0.624% *  0.2111% (0.80   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    ALA   61  19.27 +/- 2.41   0.358% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  18.54 +/- 2.41   0.408% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  21.02 +/- 3.03   0.319% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  20.73 +/- 3.54   0.329% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  21.04 +/- 2.53   0.276% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.721, support = 3.74, residual support = 71.6:
      O   QD    PHE   60 - HB3   PHE   60   2.45 +/- 0.18  81.097% * 87.6984% (0.73  10.0   3.75  72.40) =  98.542%  kept
          HN    PHE   59 - HB3   PHE   60   5.25 +/- 0.79   9.994% *  6.9007% (0.28   1.0   4.11  20.22) =   0.956%  kept
          QE    PHE   59 - HB3   PHE   60   7.18 +/- 1.62   6.890% *  5.2351% (0.65   1.0   1.34  20.22) =   0.500%  kept
          HN    LYS+  66 - HB3   PHE   60   9.26 +/- 0.83   1.794% *  0.1205% (1.00   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB3   PHE   60  19.65 +/- 3.96   0.225% *  0.0453% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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   2.65 +/- 0.57  99.614% * 99.5797% (0.20  10.0   4.92  72.40) =  99.998%  kept
          HN    GLU-  15 - HB3   PHE   60  20.22 +/- 3.31   0.386% *  0.4203% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  18.58 +/- 3.44  26.965% * 23.9067% (0.95   0.02   0.02) =  33.320%  kept
          HN    THR   39 - HB3   PHE   60  19.23 +/- 3.18  20.040% * 23.3294% (0.92   0.02   0.02) =  24.165%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.99 +/- 2.53  15.624% * 20.2366% (0.80   0.02   0.02) =  16.343%  kept
          HN    GLU-  36 - HB3   PHE   60  22.41 +/- 3.77  12.048% * 23.9067% (0.95   0.02   0.02) =  14.888%  kept
          HN    TRP   27 - HB3   PHE   60  17.94 +/- 3.96  25.323% *  8.6206% (0.34   0.02   0.02) =  11.284%  kept
    Distance limit 3.72 A violated in 20 structures by 10.22 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.33, support = 2.3, residual support = 5.51:
          HA    LYS+  81 - QB    ALA   84   2.25 +/- 0.15  97.844% * 58.7101% (0.33  1.00   2.31   5.52) =  99.808%  kept
        T HA    ASN   28 - QB    ALA   84  16.49 +/- 5.58   0.492% * 13.7795% (0.89 10.00   0.02   0.02) =   0.118%  kept
        T HA    ALA   34 - QB    ALA   84  20.94 +/- 3.06   0.146% * 11.4078% (0.74 10.00   0.02   0.02) =   0.029%
        T HA    ALA  124 - QB    ALA   84  26.73 +/- 3.34   0.119% * 11.4078% (0.74 10.00   0.02   0.02) =   0.024%
          HA    ARG+  54 - QB    ALA   84  15.25 +/- 2.07   0.402% *  1.2948% (0.84  1.00   0.02   0.02) =   0.009%
          HA    LEU  115 - QB    ALA   84  16.79 +/- 1.46   0.254% *  1.3387% (0.87  1.00   0.02   0.02) =   0.006%
          HA1   GLY  101 - QB    ALA   84  20.08 +/- 3.52   0.209% *  0.8451% (0.55  1.00   0.02   0.02) =   0.003%
          HA    GLU- 114 - QB    ALA   84  19.19 +/- 1.63   0.173% *  0.6137% (0.40  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - QB    ALA   84  18.61 +/- 5.56   0.280% *  0.2303% (0.15  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   84  25.27 +/- 3.16   0.080% *  0.3722% (0.24  1.00   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 0.29, support = 1.93, residual support = 16.1:
          HA    SER   85 - QB    ALA   84   3.78 +/- 0.03  44.074% * 37.2594% (0.15  1.00   2.33  20.71) =  77.829%  kept
          HA    ASP-  86 - QB    ALA   84   6.50 +/- 0.09   8.626% * 49.8089% (0.84  1.00   0.55   0.02) =  20.362%  kept
          HA    TRP   87 - QB    ALA   84   7.02 +/- 0.13   6.944% *  2.3974% (0.27  1.00   0.08   0.02) =   0.789%  kept
          HB    THR   77 - QB    ALA   84   4.78 +/- 2.15  37.573% *  0.3200% (0.15  1.00   0.02   0.02) =   0.570%  kept
        T HA    ASP-  44 - QB    ALA   84  11.02 +/- 1.39   1.967% *  4.1043% (0.19 10.00   0.02   0.02) =   0.383%  kept
          HA    LEU  104 - QB    ALA   84  19.08 +/- 2.78   0.415% *  2.0015% (0.93  1.00   0.02   0.02) =   0.039%
          HA    GLU-  14 - QB    ALA   84  24.74 +/- 3.59   0.182% *  1.9145% (0.89  1.00   0.02   0.02) =   0.017%
          HA    ALA   12 - QB    ALA   84  27.63 +/- 3.22   0.117% *  1.7323% (0.81  1.00   0.02   0.02) =   0.010%
          HA    MET   11 - QB    ALA   84  28.86 +/- 4.30   0.103% *  0.4617% (0.21  1.00   0.02   0.02) =   0.002%
    Distance limit 3.35 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.17, residual support = 17.8:
      O   HN    ALA   84 - QB    ALA   84   2.01 +/- 0.05  96.762% * 98.8488% (0.30  10.0   4.17  17.84) =  99.993%  kept
          HZ2   TRP   87 - QB    ALA   84   8.86 +/- 0.77   1.265% *  0.2326% (0.70   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - QB    ALA   84  14.78 +/- 6.27   0.707% *  0.2872% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - QB    ALA   84  15.31 +/- 2.41   0.271% *  0.2200% (0.66   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    ALA   84  16.95 +/- 1.29   0.172% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  13.65 +/- 3.70   0.593% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  15.94 +/- 2.16   0.231% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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   2.67 +/- 0.12  85.816% * 90.4694% (0.77   3.98  20.71) =  98.632%  kept
          HN    LEU   80 - QB    ALA   84   5.33 +/- 0.69  12.416% *  8.6425% (0.30   0.99   0.02) =   1.363%  kept
          HN    GLN   32 - QB    ALA   84  19.48 +/- 4.83   0.358% *  0.5673% (0.97   0.02   0.02) =   0.003%
          HN    CYS   53 - QB    ALA   84  12.71 +/- 2.27   1.149% *  0.0875% (0.15   0.02   0.02) =   0.001%
          HN    ALA   34 - QB    ALA   84  20.30 +/- 3.72   0.262% *  0.2332% (0.40   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.927, support = 1.13, residual support = 28.9:
          HN    LEU  123 - QB    ALA  120   3.87 +/- 0.13  69.939% * 88.0495% (0.94   1.16  29.74) =  97.066%  kept
          HN    ALA  124 - QB    ALA  120   6.38 +/- 0.26  15.699% * 10.8376% (0.57   0.23   0.02) =   2.682%  kept
          HE21  GLN   17 - QB    ALA  120  20.66 +/- 4.73  14.363% *  1.1129% (0.69   0.02   0.02) =   0.252%  kept
    Distance limit 2.86 A violated in 0 structures by 0.93 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.0, residual support = 5.22:
        T HA    SER  117 - QB    ALA  120   3.27 +/- 0.54  93.826% * 99.1094% (0.54 10.00   2.00   5.22) =  99.991%  kept
          HA    ALA   57 - QB    ALA  120  12.90 +/- 1.31   1.956% *  0.1656% (0.89  1.00   0.02   0.02) =   0.003%
        T HB    THR   26 - QB    ALA  120  22.50 +/- 4.40   0.613% *  0.3897% (0.21 10.00   0.02   0.02) =   0.003%
          HA    THR   39 - QB    ALA  120  16.61 +/- 3.30   1.186% *  0.0991% (0.54  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA  120  19.63 +/- 2.86   0.576% *  0.1202% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QB    ALA  120  14.78 +/- 3.07   1.574% *  0.0307% (0.17  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA  120  24.08 +/- 2.26   0.269% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.17 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   2.09 +/- 0.08  93.895% * 99.3531% (0.97  10.0   4.00  17.89) =  99.996%  kept
          HE3   TRP   87 - QB    ALA  110  12.97 +/- 3.44   1.637% *  0.0553% (0.54   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - QB    ALA  110  11.11 +/- 2.85   1.128% *  0.0755% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA  110  13.14 +/- 2.28   0.537% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  14.88 +/- 1.82   0.334% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  15.54 +/- 1.93   0.288% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  21.64 +/- 3.61   0.358% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.73 +/- 3.49   0.918% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  15.91 +/- 3.35   0.440% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  17.97 +/- 1.95   0.164% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  16.57 +/- 1.87   0.208% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.76 +/- 2.33   0.093% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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   2.66 +/- 0.24  85.994% * 99.6796% (0.87  10.0   2.12   9.58) =  99.993%  kept
          HN    PHE   45 - QB    ALA   61   8.77 +/- 1.79   4.936% *  0.0550% (0.48   1.0   0.02   0.02) =   0.003%
          HN    PHE   45 - QB    ALA  110  10.15 +/- 1.76   2.041% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
          HN    ASP-  44 - QB    ALA   61   8.12 +/- 1.51   4.527% *  0.0236% (0.21   1.0   0.02   0.19) =   0.001%
          HN    ALA  110 - QB    ALA   61  14.25 +/- 2.01   0.707% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA  110  13.11 +/- 1.73   0.838% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  22.87 +/- 4.22   0.566% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  16.82 +/- 2.01   0.392% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 2.76, residual support = 8.1:
          HN    ASP-  62 - QB    ALA   61   2.71 +/- 0.22  81.092% * 78.4849% (1.00   2.79   8.20) =  98.692%  kept
          HN    PHE   55 - QB    ALA  110  10.04 +/- 3.59   6.641% *  5.9557% (0.33   0.64   0.62) =   0.613%  kept
          HN    PHE   55 - QB    ALA   61   9.22 +/- 1.40   3.235% *  8.3178% (0.45   0.66   0.02) =   0.417%  kept
          HN    ARG+  54 - QB    ALA  110  10.93 +/- 3.27   3.068% *  3.2093% (0.64   0.18   0.02) =   0.153%  kept
          HN    ARG+  54 - QB    ALA   61   9.13 +/- 1.42   3.040% *  2.2499% (0.87   0.09   0.02) =   0.106%  kept
          HN    LEU   31 - QB    ALA   61  15.16 +/- 2.55   1.100% *  0.5531% (0.98   0.02   0.02) =   0.009%
          HN    ASP-  62 - QB    ALA  110  13.59 +/- 2.00   0.787% *  0.4166% (0.74   0.02   0.02) =   0.005%
          HN    LYS+  38 - QB    ALA   61  17.68 +/- 3.45   0.696% *  0.2320% (0.41   0.02   0.02) =   0.003%
          HN    LEU   31 - QB    ALA  110  21.45 +/- 2.57   0.207% *  0.4093% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  38 - QB    ALA  110  24.30 +/- 2.33   0.133% *  0.1716% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.811, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  19.00 +/- 3.89  32.190% * 28.1529% (1.00   0.02   0.02) =  42.024%  kept
          HA    GLU-  14 - HB2   ASP-  62  20.85 +/- 3.68  26.283% * 21.5631% (0.76   0.02   0.02) =  26.281%  kept
          HA    ALA   12 - HB2   ASP-  62  25.64 +/- 3.88  13.839% * 18.2527% (0.65   0.02   0.02) =  11.714%  kept
          HA    ASP-  86 - HB2   ASP-  62  25.79 +/- 2.73  11.980% * 19.3814% (0.69   0.02   0.02) =  10.767%  kept
          HA    TRP   87 - HB2   ASP-  62  23.72 +/- 2.99  15.708% * 12.6499% (0.45   0.02   0.02) =   9.214%  kept
    Distance limit 3.56 A violated in 20 structures by 12.35 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.731, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  25.54 +/- 2.93  12.557% * 70.6236% (0.67 10.00   0.02   0.02) =  56.175%  kept
          HA    LEU  104 - HB3   ASP-  62  19.27 +/- 3.81  31.116% * 10.2586% (0.98  1.00   0.02   0.02) =  20.220%  kept
          HA    GLU-  14 - HB3   ASP-  62  20.88 +/- 3.72  26.165% *  7.8573% (0.75  1.00   0.02   0.02) =  13.023%  kept
          HA    ALA   12 - HB3   ASP-  62  25.74 +/- 3.74  13.730% *  6.6511% (0.63  1.00   0.02   0.02) =   5.785%  kept
          HA    TRP   87 - HB3   ASP-  62  23.51 +/- 3.16  16.433% *  4.6095% (0.44  1.00   0.02   0.02) =   4.798%  kept
    Distance limit 3.28 A violated in 20 structures by 12.77 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.09, residual support = 4.13:
          HN    LYS+  65 - HA    ASP-  62   3.61 +/- 0.37 100.000% *100.0000% (0.15   1.09   4.13) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.74 +/- 0.07  96.384% * 99.7294% (1.00  10.0   3.83  41.00) =  99.997%  kept
          HN    ARG+  54 - HA    ASP-  62  12.71 +/- 2.63   1.716% *  0.0867% (0.87   1.0   0.02   0.02) =   0.002%
          HN    PHE   55 - HA    ASP-  62  12.74 +/- 1.93   1.264% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ASP-  62  18.81 +/- 2.50   0.386% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  21.01 +/- 2.56   0.249% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 42.3:
          HN    LEU   63 - HB2   ASP-  62   3.30 +/- 0.47  88.286% * 97.0372% (0.97   5.24  42.35) =  99.800%  kept
          HN    ILE   56 - HB2   ASP-  62   9.47 +/- 1.92   8.074% *  2.0408% (0.90   0.12   0.02) =   0.192%  kept
          HN    LYS+ 111 - HB2   ASP-  62  14.73 +/- 2.31   1.662% *  0.2020% (0.53   0.02   0.02) =   0.004%
          HD21  ASN   28 - HB2   ASP-  62  20.73 +/- 3.69   0.605% *  0.2638% (0.69   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB2   ASP-  62  21.59 +/- 3.79   0.618% *  0.1869% (0.49   0.02   0.02) =   0.001%
          HN    ALA   84 - HB2   ASP-  62  21.74 +/- 2.23   0.469% *  0.2020% (0.53   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB2   ASP-  62  26.22 +/- 3.54   0.286% *  0.0672% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.50 +/- 0.43  97.708% * 99.6462% (0.69  10.0   3.83  41.00) =  99.997%  kept
          HN    ARG+  54 - HB2   ASP-  62  11.61 +/- 2.81   1.854% *  0.1400% (0.97   1.0   0.02   0.02) =   0.003%
          HN    LYS+  38 - HB2   ASP-  62  21.85 +/- 2.30   0.182% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  19.67 +/- 2.81   0.255% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HN    LEU   63 - HB3   ASP-  62   3.31 +/- 0.58  88.167% * 97.0372% (0.95   5.24  42.35) =  99.809%  kept
          HN    ILE   56 - HB3   ASP-  62   9.59 +/- 2.03   7.596% *  2.0408% (0.88   0.12   0.02) =   0.181%  kept
          HN    LYS+ 111 - HB3   ASP-  62  14.79 +/- 2.65   2.012% *  0.2020% (0.52   0.02   0.02) =   0.005%
          HD21  ASN   28 - HB3   ASP-  62  20.59 +/- 3.44   0.699% *  0.2638% (0.67   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB3   ASP-  62  21.42 +/- 3.81   0.714% *  0.1869% (0.48   0.02   0.02) =   0.002%
          HN    ALA   84 - HB3   ASP-  62  21.43 +/- 2.55   0.521% *  0.2020% (0.52   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   ASP-  62  26.23 +/- 3.05   0.290% *  0.0672% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.05 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   2.75 +/- 0.53  88.770% * 99.7294% (0.98  10.0   3.83  41.00) =  99.991%  kept
          HN    ARG+  54 - HB3   ASP-  62  11.47 +/- 3.26   6.986% *  0.0867% (0.85   1.0   0.02   0.02) =   0.007%
          HN    PHE   55 - HB3   ASP-  62  11.29 +/- 2.46   3.448% *  0.0448% (0.44   1.0   0.02   0.02) =   0.002%
          HN    LEU   31 - HB3   ASP-  62  19.67 +/- 2.52   0.514% *  0.0980% (0.96   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB3   ASP-  62  21.95 +/- 2.40   0.281% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.84, support = 2.67, residual support = 5.9:
          QB    LYS+  66 - HA    LEU   63   3.78 +/- 0.74  53.655% * 51.3133% (1.00   2.19   7.35) =  63.302%  kept
          QB    LYS+  65 - HA    LEU   63   4.71 +/- 0.67  34.364% * 46.3332% (0.57   3.49   3.40) =  36.607%  kept
          HG2   PRO   93 - HA    LEU   63  14.27 +/- 3.23   2.945% *  0.4202% (0.90   0.02   0.02) =   0.028%
          HG    LEU  123 - HA    LEU   63  11.87 +/- 3.55   3.519% *  0.2652% (0.57   0.02   0.02) =   0.021%
          HB    VAL   41 - HA    LEU   63  13.08 +/- 2.25   1.483% *  0.4432% (0.95   0.02   0.02) =   0.015%
          HB2   LEU   71 - HA    LEU   63  12.32 +/- 1.50   1.759% *  0.2465% (0.53   0.02   0.02) =   0.010%
          HB3   PRO   52 - HA    LEU   63  16.40 +/- 3.13   1.156% *  0.2652% (0.57   0.02   0.02) =   0.007%
          HG12  ILE  103 - HA    LEU   63  17.67 +/- 2.89   0.655% *  0.3913% (0.84   0.02   0.02) =   0.006%
          QB    LYS+ 102 - HA    LEU   63  19.08 +/- 2.79   0.463% *  0.3218% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.33 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 = 0.561, support = 2.44, residual support = 7.47:
          HN    LYS+  66 - HA    LEU   63   3.66 +/- 0.36  62.890% * 58.2986% (0.53   2.65   7.35) =  88.288%  kept
          QD    PHE   60 - HA    LEU   63   6.88 +/- 0.71  10.716% * 37.8000% (0.97   0.94  10.04) =   9.754%  kept
          QE    PHE   59 - HA    LEU   63   6.56 +/- 2.21  26.053% *  3.1097% (0.14   0.55   0.24) =   1.951%  kept
          HN    LYS+  81 - HA    LEU   63  21.64 +/- 1.83   0.341% *  0.7917% (0.95   0.02   0.02) =   0.007%
    Distance limit 3.74 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 241.4:
      O   HN    LEU   63 - HA    LEU   63   2.78 +/- 0.07  95.643% * 99.6457% (1.00  10.0   7.54 241.45) =  99.997%  kept
          HN    ILE   56 - HA    LEU   63  11.79 +/- 2.36   2.070% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HA    LEU   63  18.77 +/- 3.76   0.937% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  16.12 +/- 2.39   0.596% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  21.12 +/- 2.25   0.237% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  20.66 +/- 4.12   0.327% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  23.87 +/- 2.80   0.191% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.49, residual support = 9.97:
        T HA    PHE   60 - HB2   LEU   63   3.38 +/- 0.67  69.239% * 92.0671% (0.49 10.00   1.50  10.04) =  99.147%  kept
          QB    SER   48 - HB2   LEU   63  15.16 +/- 4.82   9.319% *  3.8984% (0.76  1.00   0.40   0.02) =   0.565%  kept
          HA    LYS+  65 - HB2   LEU   63   7.67 +/- 0.25   7.064% *  2.0074% (0.18  1.00   0.91   3.40) =   0.221%  kept
          HB    THR   94 - HB2   LEU   63  13.03 +/- 2.92   1.871% *  1.0587% (0.87  1.00   0.10   0.02) =   0.031%
          HA2   GLY   51 - HB2   LEU   63  15.35 +/- 3.63   3.356% *  0.2434% (0.97  1.00   0.02   0.02) =   0.013%
          QB    SER  117 - HB2   LEU   63  12.45 +/- 2.00   2.250% *  0.2472% (0.98  1.00   0.02   0.02) =   0.009%
          HA    ALA  120 - HB2   LEU   63  12.31 +/- 2.89   3.448% *  0.1327% (0.53  1.00   0.02   0.02) =   0.007%
          HA    LYS+ 121 - HB2   LEU   63  14.09 +/- 2.79   1.847% *  0.2328% (0.92  1.00   0.02   0.02) =   0.007%
          HA2   GLY   16 - HB2   LEU   63  15.92 +/- 4.15   1.291% *  0.0561% (0.22  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU   63  22.02 +/- 2.15   0.314% *  0.0561% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 7.57, residual support = 54.9:
          HN    ALA   64 - HB2   LEU   63   3.17 +/- 0.53 100.000% *100.0000% (0.57   7.57  54.89) = 100.000%  kept
    Distance limit 3.83 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 = 2.64, residual support = 16.2:
          QE    PHE   72 - HB2   LEU   63   5.52 +/- 1.49  79.832% * 99.3486% (0.99   2.65  16.22) =  99.917%  kept
          HN    ALA   47 - HB2   LEU   63  12.96 +/- 3.20  11.057% *  0.3398% (0.45   0.02   0.02) =   0.047%
          HD22  ASN   28 - HB2   LEU   63  17.30 +/- 3.69   9.111% *  0.3116% (0.41   0.02   0.02) =   0.036%
    Distance limit 4.11 A violated in 8 structures by 1.52 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.08, residual support = 241.4:
      O   HN    LEU   63 - HB2   LEU   63   2.15 +/- 0.18  97.094% * 99.6457% (1.00  10.0   8.08 241.45) =  99.998%  kept
          HN    ILE   56 - HB2   LEU   63  10.36 +/- 1.95   1.479% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB2   LEU   63  17.81 +/- 3.81   0.638% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  15.14 +/- 2.13   0.335% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  20.06 +/- 2.35   0.134% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  19.67 +/- 4.23   0.184% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  23.17 +/- 3.39   0.137% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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   4.59 +/- 0.28  75.652% * 98.5517% (0.76   4.55  42.35) =  99.879%  kept
          HN    PHE   55 - HB2   LEU   63  11.99 +/- 2.69   8.990% *  0.5085% (0.90   0.02   0.02) =   0.061%
          HN    ARG+  54 - HB2   LEU   63  12.26 +/- 3.12  11.053% *  0.2331% (0.41   0.02   0.02) =   0.035%
          HN    LEU   31 - HB2   LEU   63  16.56 +/- 2.99   3.531% *  0.4736% (0.84   0.02   0.02) =   0.022%
          HN    ALA   88 - HB2   LEU   63  22.35 +/- 2.86   0.774% *  0.2331% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.76, residual support = 54.9:
          HN    ALA   64 - HB3   LEU   63   3.37 +/- 0.67 100.000% *100.0000% (0.57   6.76  54.89) = 100.000%  kept
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 16.2:
        T HZ    PHE   72 - HB3   LEU   63   5.15 +/- 2.53  77.433% * 99.9822% (0.87 10.00   3.22  16.22) =  99.995%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.03 +/- 3.27  22.567% *  0.0178% (0.15  1.00   0.02   0.02) =   0.005%
    Distance limit 4.05 A violated in 8 structures by 1.70 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.6, residual support = 241.4:
      O   HN    LEU   63 - HB3   LEU   63   3.24 +/- 0.30  92.313% * 99.6457% (1.00  10.0   7.60 241.45) =  99.994%  kept
          HN    ILE   56 - HB3   LEU   63  11.64 +/- 1.96   3.158% *  0.0990% (0.99   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HB3   LEU   63  17.46 +/- 4.06   1.891% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB3   LEU   63  15.92 +/- 2.33   0.962% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LEU   63  20.19 +/- 2.59   0.473% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  19.64 +/- 4.63   0.796% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  22.62 +/- 3.42   0.407% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 7.58, residual support = 241.1:
          HN    LEU   63 - HG    LEU   63   3.50 +/- 0.59  75.676% * 98.3629% (0.76   7.59 241.45) =  99.843%  kept
          QE    PHE   60 - HG    LEU   63   7.11 +/- 1.37  14.100% *  0.6568% (0.20   0.20  10.04) =   0.124%  kept
          HD21  ASN   28 - HG    LEU   63  17.97 +/- 4.27   4.534% *  0.3131% (0.92   0.02   0.02) =   0.019%
          HN    ILE   56 - HG    LEU   63  11.45 +/- 2.11   3.060% *  0.2194% (0.65   0.02   0.02) =   0.009%
          HZ2   TRP   87 - HG    LEU   63  20.09 +/- 4.88   0.759% *  0.2592% (0.76   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HG    LEU   63  15.56 +/- 3.29   1.417% *  0.0943% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - HG    LEU   63  20.81 +/- 2.56   0.454% *  0.0943% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.168, support = 3.03, residual support = 9.31:
        T HA    PHE   60 - QD1   LEU   63   3.29 +/- 1.05  34.567% * 56.8994% (0.14 10.00   3.27  10.04) =  91.926%  kept
        T HA    PHE   60 - QD1   LEU   73  10.76 +/- 3.14   5.347% * 11.4665% (0.14 10.00   0.40   1.63) =   2.865%  kept
          HB    THR   94 - QD1   LEU   73  10.11 +/- 2.39   4.428% *  6.1501% (0.97  1.00   0.30   0.02) =   1.273%  kept
          HB    THR   94 - QD1   LEU   63  10.59 +/- 3.40   3.042% *  8.1133% (0.97  1.00   0.40   0.02) =   1.153%  kept
          HA    LYS+  65 - QD1   LEU   63   7.84 +/- 0.83   4.236% *  4.7018% (0.57  1.00   0.40   3.40) =   0.931%  kept
          HA    ALA  120 - QD1   LEU   63  10.01 +/- 2.87   4.362% *  4.3070% (0.95  1.00   0.22   0.02) =   0.878%  kept
          HA    LYS+ 121 - QD1   LEU  104  10.56 +/- 6.18   8.286% *  0.7809% (0.23  1.00   0.16   0.02) =   0.302%  kept
          HA    LYS+ 121 - QD1   LEU   63  11.22 +/- 2.93   1.803% *  1.7104% (0.92  1.00   0.09   0.02) =   0.144%  kept
          QB    SER  117 - QD1   LEU   63   9.96 +/- 2.49   2.547% *  1.1535% (0.61  1.00   0.09   0.02) =   0.137%  kept
          QB    SER   48 - QD1   LEU   63  13.24 +/- 3.99   4.652% *  0.4195% (1.00  1.00   0.02   0.02) =   0.091%
          QB    SER   48 - QD1   LEU   73  12.81 +/- 2.12   2.710% *  0.4195% (1.00  1.00   0.02   0.02) =   0.053%
          QB    SER  117 - QD1   LEU   73  14.97 +/- 4.33   4.241% *  0.2550% (0.61  1.00   0.02   0.02) =   0.051%
          HA    LYS+  65 - QD1   LEU   73  10.26 +/- 1.65   3.607% *  0.2380% (0.57  1.00   0.02   0.02) =   0.040%
          HA2   GLY   51 - QD1   LEU   63  13.58 +/- 2.86   2.279% *  0.3647% (0.87  1.00   0.02   0.02) =   0.039%
          HA    ALA  120 - QD1   LEU   73  16.85 +/- 3.43   1.043% *  0.3977% (0.95  1.00   0.02   0.02) =   0.019%
          HA    LYS+ 121 - QD1   LEU   73  16.62 +/- 3.32   0.716% *  0.3881% (0.92  1.00   0.02   0.02) =   0.013%
          HA2   GLY   16 - QD1   LEU   63  13.31 +/- 3.36   0.978% *  0.2720% (0.65  1.00   0.02   0.02) =   0.012%
          HA2   GLY   51 - QD1   LEU   73  17.17 +/- 3.52   0.711% *  0.3647% (0.87  1.00   0.02   0.02) =   0.012%
        T HA    PHE   60 - QD1   LEU  104  13.31 +/- 2.97   1.575% *  0.1393% (0.03 10.00   0.02   0.02) =   0.010%
          QB    SER   85 - QD1   LEU   73  14.55 +/- 2.67   0.702% *  0.2720% (0.65  1.00   0.02   0.02) =   0.009%
          HA    ALA  120 - QD1   LEU  104  12.70 +/- 4.82   1.734% *  0.0974% (0.23  1.00   0.02   0.02) =   0.008%
          HA2   GLY   16 - QD1   LEU   73  14.47 +/- 3.21   0.604% *  0.2720% (0.65  1.00   0.02   0.02) =   0.008%
          HB    THR   94 - QD1   LEU  104  13.45 +/- 2.24   1.372% *  0.0993% (0.24  1.00   0.02   0.02) =   0.006%
          QB    SER  117 - QD1   LEU  104  11.56 +/- 2.63   1.778% *  0.0624% (0.15  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - QD1   LEU   63  18.22 +/- 2.68   0.299% *  0.2720% (0.65  1.00   0.02   0.02) =   0.004%
          QB    SER   48 - QD1   LEU  104  19.64 +/- 3.25   0.530% *  0.1027% (0.24  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - QD1   LEU  104  15.51 +/- 2.83   0.746% *  0.0583% (0.14  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU  104  16.89 +/- 3.15   0.517% *  0.0666% (0.16  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD1   LEU  104  19.36 +/- 3.11   0.377% *  0.0666% (0.16  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  22.67 +/- 3.22   0.211% *  0.0893% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.485, support = 3.06, residual support = 16.2:
        T HZ3   TRP   27 - QD1   LEU   73   5.12 +/- 2.84  39.723% * 86.4776% (0.49 10.00   3.26  17.39) =  93.336%  kept
        T HZ3   TRP   27 - QD1   LEU   63   9.70 +/- 2.64  18.205% * 12.4147% (0.49 10.00   0.29   0.02) =   6.141%  kept
        T HZ3   TRP   27 - QD1   LEU  104  10.38 +/- 4.08  20.745% *  0.8181% (0.12 10.00   0.08   0.02) =   0.461%  kept
          HZ    PHE   45 - QD1   LEU   73   8.41 +/- 1.90  12.060% *  0.1290% (0.73  1.00   0.02   0.02) =   0.042%
          HZ    PHE   45 - QD1   LEU   63  11.59 +/- 3.22   4.334% *  0.1290% (0.73  1.00   0.02   0.02) =   0.015%
          HZ    PHE   45 - QD1   LEU  104  11.89 +/- 2.57   4.934% *  0.0316% (0.18  1.00   0.02   0.02) =   0.004%
    Distance limit 3.81 A violated in 2 structures by 0.49 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.805, support = 1.25, residual support = 6.63:
          QD    PHE   60 - QD1   LEU   63   3.95 +/- 1.14  25.431% * 30.0370% (0.87   1.47  10.04) =  51.686%  kept
          QE    PHE   59 - QD1   LEU   63   4.69 +/- 2.86  29.692% *  8.1957% (0.49   0.72   0.24) =  16.466%  kept
          HN    LYS+  66 - QD1   LEU   63   5.97 +/- 0.69   8.846% * 26.8186% (0.95   1.21   7.35) =  16.052%  kept
          QD    PHE   60 - QD1   LEU   73   9.10 +/- 3.33   7.590% * 26.1084% (0.87   1.28   1.63) =  13.408%  kept
          HN    PHE   59 - QD1   LEU   63   6.45 +/- 1.37   6.143% *  2.8124% (0.18   0.68   0.24) =   1.169%  kept
          QE    PHE   59 - QD1   LEU   73  10.04 +/- 4.05  11.564% *  1.0436% (0.49   0.09   0.02) =   0.817%  kept
          HN    LYS+  66 - QD1   LEU   73  11.53 +/- 1.29   1.180% *  3.7685% (0.95   0.17   0.02) =   0.301%  kept
          HN    PHE   59 - QD1   LEU   73  13.30 +/- 3.85   2.187% *  0.3755% (0.18   0.09   0.02) =   0.056%
          HN    LYS+  81 - QD1   LEU   73  12.67 +/- 2.46   0.857% *  0.2474% (0.53   0.02   0.02) =   0.014%
          QE    PHE   59 - QD1   LEU  104   9.80 +/- 3.06   2.885% *  0.0560% (0.12   0.02   0.02) =   0.011%
          QD    PHE   60 - QD1   LEU  104  12.04 +/- 3.39   1.594% *  0.0998% (0.21   0.02   0.02) =   0.011%
          HN    LYS+  81 - QD1   LEU   63  17.34 +/- 2.29   0.304% *  0.2474% (0.53   0.02   0.02) =   0.005%
          HN    LYS+  66 - QD1   LEU  104  14.88 +/- 2.52   0.463% *  0.1089% (0.23   0.02   0.02) =   0.003%
          HN    PHE   59 - QD1   LEU  104  14.84 +/- 3.79   1.059% *  0.0202% (0.04   0.02   0.02) =   0.001%
          HN    LYS+  81 - QD1   LEU  104  20.43 +/- 3.86   0.206% *  0.0605% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.747, support = 5.73, residual support = 203.0:
          HN    LEU   63 - QD1   LEU   63   3.59 +/- 0.64  33.071% * 57.1327% (0.76   6.46 241.45) =  83.882%  kept
          HD21  ASN   28 - QD1   LEU   73   8.21 +/- 3.94   8.558% * 23.8184% (0.92   2.23   0.89) =   9.049%  kept
          QE    PHE   60 - QD1   LEU   63   5.11 +/- 1.56  18.875% *  4.0877% (0.20   1.79  10.04) =   3.425%  kept
          QE    PHE   60 - QD1   LEU   73   9.05 +/- 3.06  10.154% *  4.5829% (0.20   2.00   1.63) =   2.066%  kept
          HN    LEU   63 - QD1   LEU   73  10.92 +/- 2.16   4.433% *  4.7760% (0.76   0.54   0.14) =   0.940%  kept
          HD21  ASN   28 - QD1   LEU   63  14.31 +/- 3.91   3.317% *  2.3540% (0.92   0.22   0.02) =   0.347%  kept
          HZ2   TRP   87 - QD1   LEU   73  12.49 +/- 4.92   2.223% *  2.1473% (0.76   0.24   0.02) =   0.212%  kept
          HD21  ASN   28 - QD1   LEU  104  14.20 +/- 4.41   2.737% *  0.2020% (0.23   0.08   0.02) =   0.025%
          HN    ILE   56 - QD1   LEU   63   9.24 +/- 1.70   2.418% *  0.1496% (0.65   0.02   0.02) =   0.016%
          HN    ILE   56 - QD1   LEU   73  14.82 +/- 4.35   1.475% *  0.1496% (0.65   0.02   0.02) =   0.010%
          HZ2   TRP   87 - QD1   LEU   63  15.95 +/- 4.63   1.033% *  0.1768% (0.76   0.02   0.02) =   0.008%
          HN    LYS+ 111 - QD1   LEU   73  16.27 +/- 4.89   1.642% *  0.0643% (0.28   0.02   0.02) =   0.005%
          HN    LYS+ 111 - QD1   LEU   63  12.37 +/- 2.96   1.565% *  0.0643% (0.28   0.02   0.02) =   0.004%
          HN    ALA   84 - QD1   LEU   73  12.74 +/- 2.72   1.156% *  0.0643% (0.28   0.02   0.02) =   0.003%
          HZ2   TRP   87 - QD1   LEU  104  14.88 +/- 4.70   1.271% *  0.0433% (0.19   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU  104  13.73 +/- 2.91   0.893% *  0.0433% (0.19   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU  104  11.92 +/- 4.16   3.363% *  0.0112% (0.05   0.02   0.02) =   0.002%
          HN    ALA   84 - QD1   LEU   63  16.63 +/- 2.86   0.580% *  0.0643% (0.28   0.02   0.02) =   0.002%
          HN    ILE   56 - QD1   LEU  104  17.90 +/- 3.01   0.353% *  0.0366% (0.16   0.02   0.02) =   0.001%
          HN    ALA   84 - QD1   LEU  104  18.82 +/- 3.48   0.465% *  0.0157% (0.07   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  16.12 +/- 1.67   0.419% *  0.0157% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.6:
      O   HN    ALA   64 - HA    ALA   64   2.78 +/- 0.07 100.000% *100.0000% (0.97  10.0   4.22  20.65) = 100.000%  kept
    Distance limit 3.62 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 = 0.724, support = 3.17, residual support = 45.6:
        T QD    PHE   72 - HA    ALA   64   3.81 +/- 0.86  41.186% * 60.4788% (0.87 10.00   3.17  45.58) =  52.319%  kept
        T HZ    PHE   72 - HA    ALA   64   3.28 +/- 0.73  57.509% * 39.4733% (0.57 10.00   3.17  45.58) =  47.680%  kept
          QE    PHE   45 - HA    ALA   64  11.81 +/- 1.37   1.305% *  0.0479% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.19, residual support = 3.78:
          HN    LEU   67 - HA    ALA   64   3.22 +/- 0.46  85.592% * 77.2712% (0.87   1.20   3.81) =  99.183%  kept
          QE    PHE   95 - HA    ALA   64  10.46 +/- 1.73   4.358% *  6.7213% (0.98   0.09   0.31) =   0.439%  kept
          HN    THR   23 - HA    ALA   64  14.67 +/- 2.83   1.423% * 12.8559% (0.99   0.17   0.02) =   0.274%  kept
          HE3   TRP   27 - HA    ALA   64  11.24 +/- 2.13   4.903% *  0.8438% (0.57   0.02   0.02) =   0.062%
          QD    PHE   55 - HA    ALA   64  15.06 +/- 1.57   1.030% *  0.9642% (0.65   0.02   0.02) =   0.015%
          HD1   TRP   49 - HA    ALA   64  19.15 +/- 3.21   1.122% *  0.7842% (0.53   0.02   0.02) =   0.013%
          HD2   HIS   22 - HA    ALA   64  14.77 +/- 3.88   1.572% *  0.5594% (0.38   0.02   0.02) =   0.013%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.627, support = 2.79, residual support = 6.19:
          QG2   VAL   18 - QB    ALA   64   5.79 +/- 4.14  33.198% * 39.8859% (0.84   1.70   8.24) =  52.344%  kept
          QD2   LEU   73 - QB    ALA   64   4.82 +/- 0.70  24.510% * 45.2605% (0.38   4.30   4.28) =  43.853%  kept
          QD1   ILE   19 - QB    ALA   64   7.96 +/- 2.12   5.853% *  7.9467% (0.38   0.75   0.02) =   1.839%  kept
          QG1   VAL   43 - QB    ALA   64   6.93 +/- 0.83   8.187% *  2.9662% (0.98   0.11   0.02) =   0.960%  kept
          QG1   VAL   41 - QB    ALA   64   7.86 +/- 1.01   6.624% *  2.9993% (0.99   0.11   0.02) =   0.785%  kept
          QG2   THR   46 - QB    ALA   64   7.16 +/- 1.56   8.859% *  0.4077% (0.73   0.02   0.02) =   0.143%  kept
          HG    LEU   31 - QB    ALA   64  10.67 +/- 1.84   2.878% *  0.2954% (0.53   0.02   0.02) =   0.034%
          QD1   ILE   56 - QB    ALA   64   7.98 +/- 1.82   7.513% *  0.0983% (0.18   0.02   0.02) =   0.029%
          QD2   LEU  104 - QB    ALA   64  11.18 +/- 2.21   2.378% *  0.1400% (0.25   0.02   0.02) =   0.013%
    Distance limit 3.00 A violated in 2 structures by 0.61 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.87, support = 1.78, residual support = 5.48:
          HB3   LEU   67 - QB    ALA   64   4.79 +/- 0.76  20.766% * 16.8983% (0.99   1.41   3.81) =  27.089%  kept
          QB    ALA   61 - QB    ALA   64   4.21 +/- 0.57  26.146% * 13.1890% (0.92   1.18   6.49) =  26.620%  kept
          QG    LYS+  66 - QB    ALA   64   6.27 +/- 0.82   8.811% * 27.3634% (0.98   2.31   9.08) =  18.613%  kept
          HG    LEU   73 - QB    ALA   64   6.73 +/- 0.93   6.883% * 27.9490% (0.87   2.67   4.28) =  14.850%  kept
          HG    LEU   67 - QB    ALA   64   5.28 +/- 1.10  16.887% *  7.8832% (0.28   2.35   3.81) =  10.276%  kept
          HG12  ILE   19 - QB    ALA   64   8.53 +/- 2.95   5.353% *  5.8937% (0.65   0.75   0.02) =   2.436%  kept
          HG    LEU   40 - QB    ALA   64   8.17 +/- 2.65   8.768% *  0.0907% (0.38   0.02   0.02) =   0.061%
          HB3   LEU  115 - QB    ALA   64  10.27 +/- 1.34   2.092% *  0.0907% (0.38   0.02   0.02) =   0.015%
          HG    LEU   80 - QB    ALA   64  13.82 +/- 2.75   1.004% *  0.1846% (0.76   0.02   0.02) =   0.014%
          QB    ALA  110 - QB    ALA   64  13.21 +/- 1.56   0.912% *  0.1754% (0.73   0.02   0.02) =   0.012%
          HG2   LYS+ 102 - QB    ALA   64  16.68 +/- 2.03   0.448% *  0.1846% (0.76   0.02   0.02) =   0.006%
          HB2   LEU   80 - QB    ALA   64  13.45 +/- 2.19   0.968% *  0.0602% (0.25   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QB    ALA   64  13.72 +/- 1.66   0.961% *  0.0373% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.892, support = 2.14, residual support = 5.57:
          HB3   LEU   67 - HA    ALA   64   3.84 +/- 1.17  34.491% * 27.1877% (0.99   1.96   3.81) =  49.691%  kept
          QG    LYS+  66 - HA    ALA   64   5.96 +/- 1.10  17.029% * 34.8577% (0.98   2.54   9.08) =  31.456%  kept
          HG    LEU   67 - HA    ALA   64   4.44 +/- 1.32  24.401% *  9.6722% (0.28   2.48   3.81) =  12.506%  kept
          QB    ALA   61 - HA    ALA   64   6.54 +/- 0.47   8.280% *  8.1952% (0.92   0.63   6.49) =   3.596%  kept
          HG    LEU   73 - HA    ALA   64   9.55 +/- 1.22   2.641% * 18.2868% (0.87   1.51   4.28) =   2.559%  kept
          HG12  ILE   19 - HA    ALA   64  10.55 +/- 3.64   2.914% *  0.8455% (0.65   0.09   0.02) =   0.131%  kept
          HG    LEU   40 - HA    ALA   64   9.25 +/- 2.78   6.719% *  0.1051% (0.38   0.02   0.02) =   0.037%
          HB3   LEU  115 - HA    ALA   64  12.78 +/- 1.48   1.169% *  0.1051% (0.38   0.02   0.02) =   0.007%
          QB    ALA  110 - HA    ALA   64  16.42 +/- 1.92   0.563% *  0.2034% (0.73   0.02   0.02) =   0.006%
          HG    LEU   80 - HA    ALA   64  17.82 +/- 3.16   0.456% *  0.2141% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HA    ALA   64  20.29 +/- 2.42   0.266% *  0.2141% (0.76   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HA    ALA   64  16.11 +/- 2.93   0.671% *  0.0432% (0.15   0.02   0.02) =   0.002%
          HB2   LEU   80 - HA    ALA   64  17.42 +/- 2.38   0.400% *  0.0698% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 3.7, residual support = 45.5:
        T HB3   PHE   72 - QB    ALA   64   3.91 +/- 1.28  47.670% * 99.3598% (0.76 10.00   3.70  45.58) =  99.885%  kept
          HB2   ASP-  44 - QB    ALA   64   4.93 +/- 1.28  37.308% *  0.1128% (0.87  1.00   0.02   0.02) =   0.089%
          QG    GLU-  15 - QB    ALA   64  11.45 +/- 3.39   3.675% *  0.1230% (0.95  1.00   0.02   0.02) =   0.010%
          QG    GLU-  14 - QB    ALA   64  11.64 +/- 3.62   3.718% *  0.1086% (0.84  1.00   0.02   0.02) =   0.009%
          HG12  ILE  119 - QB    ALA   64   9.21 +/- 1.42   4.376% *  0.0443% (0.34  1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - QB    ALA   64  15.90 +/- 1.60   0.866% *  0.0893% (0.69  1.00   0.02   0.02) =   0.002%
          QB    MET   11 - QB    ALA   64  17.15 +/- 2.56   0.651% *  0.1166% (0.90  1.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    ALA   64  14.91 +/- 1.72   0.953% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  16.68 +/- 1.91   0.783% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 6 structures by 0.65 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 2.42, residual support = 6.43:
        T HA    ALA   61 - QB    ALA   64   3.49 +/- 0.73  63.936% * 96.9603% (1.00 10.00   2.44   6.49) =  98.976%  kept
          HD2   PRO   68 - QB    ALA   64   6.43 +/- 1.24  21.609% *  2.9490% (0.92  1.00   0.66   0.02) =   1.017%  kept
          HA    VAL   75 - QB    ALA   64   7.55 +/- 0.99   9.323% *  0.0242% (0.25  1.00   0.02   0.02) =   0.004%
          HD3   PRO   58 - QB    ALA   64  10.15 +/- 1.12   2.989% *  0.0473% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QB    ALA   64  11.91 +/- 1.98   2.144% *  0.0192% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 2.64, residual support = 8.19:
          HA    VAL   18 - QB    ALA   64   6.84 +/- 5.13  40.288% * 94.9662% (0.90   2.66   8.24) =  99.356%  kept
          HA    VAL   70 - QB    ALA   64   6.20 +/- 1.17  31.161% *  0.3272% (0.41   0.02   0.02) =   0.265%  kept
          HA    GLN  116 - QB    ALA   64  11.30 +/- 2.01  11.182% *  0.3272% (0.41   0.02   0.02) =   0.095%
          HA    SER   48 - QB    ALA   64  12.66 +/- 2.54   4.785% *  0.7529% (0.95   0.02   0.02) =   0.094%
          HA    GLU-  29 - QB    ALA   64  14.63 +/- 1.34   2.482% *  0.6904% (0.87   0.02   0.02) =   0.045%
          HA    LYS+  33 - QB    ALA   64  14.71 +/- 1.58   2.519% *  0.5780% (0.73   0.02   0.02) =   0.038%
          HA    GLN   32 - QB    ALA   64  14.77 +/- 1.44   2.314% *  0.5780% (0.73   0.02   0.02) =   0.035%
          HD2   PRO   52 - QB    ALA   64  13.58 +/- 1.44   2.782% *  0.4188% (0.53   0.02   0.02) =   0.030%
          HB2   SER   82 - QB    ALA   64  17.64 +/- 1.64   1.179% *  0.7529% (0.95   0.02   0.02) =   0.023%
          HA    ALA   88 - QB    ALA   64  18.73 +/- 1.75   1.308% *  0.6083% (0.76   0.02   0.02) =   0.021%
    Distance limit 3.79 A violated in 4 structures by 0.80 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.503, support = 1.12, residual support = 0.809:
        T HA    GLN   17 - QB    ALA   64   8.89 +/- 5.36  34.567% * 93.9159% (0.49 10.00   1.17   0.84) =  96.142%  kept
        T HA    VAL   42 - QB    ALA   64   7.01 +/- 1.53  32.978% *  3.2356% (0.98 10.00   0.02   0.02) =   3.160%  kept
        T HA    PHE   55 - QB    ALA   64  12.79 +/- 2.27   8.934% *  2.2675% (0.69 10.00   0.02   0.02) =   0.600%  kept
          HA    THR   46 - QB    ALA   64   9.76 +/- 1.51  12.331% *  0.1357% (0.41  1.00   0.02   0.02) =   0.050%
          HA    SER   37 - QB    ALA   64  14.59 +/- 1.87   4.601% *  0.1607% (0.49  1.00   0.02   0.02) =   0.022%
          HA    ALA  110 - QB    ALA   64  14.94 +/- 2.33   4.224% *  0.1239% (0.38  1.00   0.02   0.02) =   0.015%
          HA    GLN   90 - QB    ALA   64  16.64 +/- 1.47   2.365% *  0.1607% (0.49  1.00   0.02   0.02) =   0.011%
    Distance limit 4.14 A violated in 7 structures by 1.52 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.24, residual support = 8.23:
          HN    VAL   18 - QB    ALA   64   7.90 +/- 5.33  60.725% * 99.5969% (1.00   2.24   8.24) =  99.883%  kept
          HN    GLU-  29 - QB    ALA   64  13.66 +/- 1.43  28.446% *  0.1558% (0.18   0.02   0.02) =   0.073%
          HN    SER   13 - QB    ALA   64  15.75 +/- 3.17  10.829% *  0.2473% (0.28   0.02   0.02) =   0.044%
    Distance limit 3.96 A violated in 10 structures by 3.99 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.823, support = 5.81, residual support = 45.6:
        T QD    PHE   72 - QB    ALA   64   2.78 +/- 0.51  49.987% * 84.9922% (0.87 10.00   5.89  45.58) =  85.365%  kept
          HZ    PHE   72 - QB    ALA   64   2.87 +/- 0.78  48.744% * 14.9405% (0.57  1.00   5.39  45.58) =  14.633%  kept
          QE    PHE   45 - QB    ALA   64   8.97 +/- 1.05   1.269% *  0.0673% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.6:
      O   HN    ALA   64 - QB    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.65) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 159.5:
      O   HN    LYS+  65 - HA    LYS+  65   2.78 +/- 0.05  99.467% * 99.9887% (0.71  10.0   6.08 159.52) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  16.70 +/- 2.09   0.533% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.732, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  13.75 +/- 5.86  28.835% * 34.8898% (0.87   0.02   0.02) =  66.003%  kept
          HN    SER  117 - HA    LYS+  65  17.61 +/- 1.07   6.245% * 28.1870% (0.71   0.02   0.02) =  11.549%  kept
          HN    SER  117 - HA    LYS+ 121   8.94 +/- 0.84  45.389% *  3.1809% (0.08   0.02   0.02) =   9.472%  kept
          HN    SER   82 - HA    LYS+  65  21.59 +/- 3.13   5.346% * 26.7825% (0.67   0.02   0.02) =   9.394%  kept
          HN    GLY   16 - HA    LYS+ 121  20.45 +/- 5.25  12.809% *  3.9373% (0.10   0.02   0.02) =   3.309%  kept
          HN    SER   82 - HA    LYS+ 121  29.78 +/- 3.53   1.375% *  3.0224% (0.08   0.02   0.02) =   0.273%  kept
    Distance limit 3.52 A violated in 20 structures by 4.56 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.87, residual support = 29.3:
          HN    LYS+  65 - QB    ALA   64   2.90 +/- 0.14 100.000% *100.0000% (0.31   4.87  29.27) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 45.6:
          QE    PHE   72 - HA    ALA   64   2.81 +/- 0.47  95.888% * 99.3291% (0.65   3.97  45.58) =  99.971%  kept
          HD22  ASN   28 - HA    ALA   64  15.50 +/- 2.88   4.112% *  0.6709% (0.87   0.02   0.02) =   0.029%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.96, residual support = 4.13:
          HA    ASP-  62 - QB    LYS+  65   2.80 +/- 0.89  96.235% * 98.0116% (0.80   1.96   4.13) =  99.979%  kept
          HB    THR   26 - QB    LYS+  65  16.99 +/- 2.33   1.271% *  0.7080% (0.57   0.02   0.02) =   0.010%
          HA    SER   82 - QB    LYS+  65  21.55 +/- 3.09   0.767% *  0.8090% (0.65   0.02   0.02) =   0.007%
          HA    SER  117 - QB    LYS+  65  15.42 +/- 1.10   0.947% *  0.2784% (0.22   0.02   0.02) =   0.003%
          HA    GLU-  25 - QB    LYS+  65  19.59 +/- 2.41   0.780% *  0.1930% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.69, residual support = 159.5:
      O   HN    LYS+  65 - QB    LYS+  65   2.15 +/- 0.15 100.000% *100.0000% (0.76  10.0   6.69 159.52) = 100.000%  kept
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.529, support = 5.94, residual support = 30.3:
          HN    LYS+  66 - QB    LYS+  65   3.06 +/- 0.33  85.853% * 92.6252% (0.53   5.98  30.49) =  99.280%  kept
          QD    PHE   60 - QB    LYS+  65   7.56 +/- 1.15   8.433% *  6.7382% (0.97   0.24   0.02) =   0.709%  kept
          HN    LYS+  81 - QB    LYS+  65  18.39 +/- 3.08   0.771% *  0.5570% (0.95   0.02   0.02) =   0.005%
          QE    PHE   59 - QB    LYS+  65   8.55 +/- 0.86   4.942% *  0.0797% (0.14   0.02   0.02) =   0.005%
    Distance limit 3.12 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.38, residual support = 159.5:
          HN    LYS+  65 - HG2   LYS+  65   3.55 +/- 0.52 100.000% *100.0000% (0.31   5.38 159.52) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.834, support = 5.14, residual support = 142.2:
      O T HA    LYS+  65 - HG3   LYS+  65   3.26 +/- 0.47  41.150% * 57.2471% (0.87  10.0 10.00   5.27 159.52) =  87.998%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.02 +/- 0.81   8.092% * 39.1477% (0.59   1.0 10.00   4.22  15.48) =  11.834%  kept
        T HA    GLN   32 - HG3   LYS+ 102  12.67 +/- 5.23   8.468% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.117%  kept
          HA    SER   48 - HG3   LYS+  65  14.78 +/- 6.20   8.476% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.009%
          QB    SER   48 - HG3   LYS+  65  14.49 +/- 6.26  10.140% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  65 - HG3   LYS+  33  18.10 +/- 2.52   0.269% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.005%
          HB    THR   94 - HG3   LYS+  65  15.81 +/- 4.78   9.591% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HG3   LYS+  65  15.02 +/- 5.63   1.522% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+  65  22.28 +/- 2.08   0.148% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HD2   PRO   52 - HG3   LYS+  65  16.02 +/- 4.19   1.141% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 106  19.16 +/- 3.42   0.262% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  17.99 +/- 3.01   0.313% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 102  23.23 +/- 2.78   0.126% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HG3   LYS+ 106  20.45 +/- 2.29   0.199% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+ 102  18.32 +/- 6.88   0.591% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  33  14.95 +/- 3.70   0.819% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 106  14.41 +/- 5.70   0.867% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  33  21.90 +/- 4.81   0.305% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  65  18.98 +/- 2.40   0.242% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+ 102  21.56 +/- 5.75   0.299% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.69 +/- 1.75   2.339% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  17.13 +/- 2.72   0.350% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  22.84 +/- 3.50   0.151% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  24.20 +/- 5.26   0.353% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  18.12 +/- 3.71   0.431% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  23.67 +/- 5.98   0.219% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  18.16 +/- 3.44   0.337% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  24.57 +/- 5.37   0.149% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  21.20 +/- 5.06   0.247% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.78 +/- 4.38   0.138% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  24.62 +/- 4.27   0.136% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  23.17 +/- 4.24   0.222% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  16.39 +/- 4.08   0.452% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.51 +/- 2.59   0.069% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  27.99 +/- 1.45   0.073% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  28.28 +/- 4.86   0.087% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  17.55 +/- 1.37   0.309% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.35 +/- 3.89   0.090% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.09 +/- 3.94   0.125% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.46 +/- 2.14   0.155% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.46 +/- 2.54   0.078% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.36 +/- 1.80   0.161% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  24.95 +/- 2.49   0.106% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  19.82 +/- 2.21   0.204% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.35, support = 2.77, residual support = 22.6:
          HN    ASP- 105 - HG3   LYS+ 106   4.56 +/- 0.25  71.994% * 76.4229% (0.34   2.89  23.72) =  95.417%  kept
          HN    ASP- 105 - HG3   LYS+ 102   8.86 +/- 1.71  14.456% * 17.7105% (0.65   0.35   0.02) =   4.440%  kept
          HN    ASP- 105 - HG3   LYS+  65  19.02 +/- 3.28   1.803% *  1.2616% (0.80   0.02   0.02) =   0.039%
          HN    ASP- 105 - HG3   LYS+  33  16.25 +/- 1.93   1.940% *  1.0895% (0.69   0.02   0.02) =   0.037%
          HN    ALA   88 - HG3   LYS+ 102  22.02 +/- 6.44   1.357% *  0.7259% (0.46   0.02   0.02) =   0.017%
          HN    ALA   88 - HG3   LYS+ 106  16.83 +/- 4.06   2.286% *  0.3744% (0.24   0.02   0.02) =   0.015%
          HN    PHE   55 - HG3   LYS+  65  14.73 +/- 2.58   3.187% *  0.2431% (0.15   0.02   0.02) =   0.013%
          HN    ALA   88 - HG3   LYS+  65  24.10 +/- 3.97   0.637% *  0.8920% (0.57   0.02   0.02) =   0.010%
          HN    ALA   88 - HG3   LYS+  33  26.88 +/- 5.43   0.489% *  0.7703% (0.49   0.02   0.02) =   0.007%
          HN    PHE   55 - HG3   LYS+  33  27.90 +/- 3.68   0.559% *  0.2099% (0.13   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+ 106  19.88 +/- 1.87   0.954% *  0.1020% (0.06   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+ 102  27.62 +/- 1.89   0.338% *  0.1978% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.18, residual support = 118.4:
      O   HN    LYS+  66 - HA    LYS+  66   2.90 +/- 0.03  94.663% * 99.6126% (0.53  10.0   5.18 118.37) =  99.994%  kept
          QD    PHE   60 - HA    LYS+  66  10.81 +/- 1.07   2.097% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - HA    LYS+  66  11.01 +/- 2.14   2.895% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    LYS+  66  22.55 +/- 4.18   0.346% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 5.35, residual support = 118.4:
      O   HN    LYS+  66 - QB    LYS+  66   2.37 +/- 0.25  91.008% * 99.6126% (0.53  10.0   5.35 118.37) =  99.994%  kept
          QD    PHE   60 - QB    LYS+  66   8.74 +/- 0.77   1.965% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - QB    LYS+  66   8.57 +/- 2.65   6.776% *  0.0256% (0.14   1.0   0.02   0.02) =   0.002%
          HN    LYS+  81 - QB    LYS+  66  20.42 +/- 2.85   0.251% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.518, support = 4.94, residual support = 116.5:
          HN    LYS+  66 - QG    LYS+  66   3.07 +/- 0.82  58.451% * 93.3063% (0.53   4.97 118.37) =  98.245%  kept
          HN    LYS+  66 - HG    LEU   67   5.54 +/- 1.01  18.463% *  5.1198% (0.04   3.54  14.35) =   1.703%  kept
          QD    PHE   60 - QG    LYS+  66   9.21 +/- 1.09   2.404% *  0.6892% (0.97   0.02   0.02) =   0.030%
          QE    PHE   59 - QG    LYS+  66   9.15 +/- 2.39   6.136% *  0.0966% (0.14   0.02   0.02) =   0.011%
          QD    PHE   60 - HG    LEU   67   9.58 +/- 2.24   7.397% *  0.0531% (0.07   0.02   0.02) =   0.007%
          HN    LYS+  81 - QG    LYS+  66  20.99 +/- 3.20   0.295% *  0.6756% (0.95   0.02   0.02) =   0.004%
          QE    PHE   59 - HG    LEU   67  10.04 +/- 3.26   6.576% *  0.0074% (0.01   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG    LEU   67  21.39 +/- 2.57   0.279% *  0.0520% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.01, residual support = 118.3:
          HN    LYS+  66 - QD    LYS+  66   4.11 +/- 0.34  62.363% * 98.2371% (0.53   5.01 118.37) =  99.909%  kept
          QD    PHE   60 - QD    LYS+  66   9.97 +/- 0.96   4.766% *  0.7190% (0.97   0.02   0.02) =   0.056%
          QE    PHE   59 - QD    LYS+  66   9.82 +/- 2.41   9.552% *  0.1008% (0.14   0.02   0.02) =   0.016%
          HN    LYS+  81 - QD    LYS+  66  21.49 +/- 3.68   0.807% *  0.7048% (0.95   0.02   0.02) =   0.009%
          QD    PHE   60 - HD2   LYS+ 121  12.58 +/- 1.87   3.405% *  0.0894% (0.12   0.02   0.02) =   0.005%
          QE    PHE   59 - HD2   LYS+ 121   6.70 +/- 0.84  17.009% *  0.0125% (0.02   0.02   0.02) =   0.003%
          HN    LYS+  66 - HD2   LYS+ 121  15.83 +/- 3.30   1.858% *  0.0487% (0.07   0.02   0.02) =   0.001%
          HN    LYS+  81 - HD2   LYS+ 121  27.55 +/- 2.94   0.240% *  0.0876% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.485, support = 3.58, residual support = 59.9:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  71.695% * 41.2369% (0.47  10.0 10.00   3.06  60.35) =  74.143%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.70 +/- 0.26  21.415% * 46.2883% (0.53  10.0  1.00   5.11  60.35) =  24.859%  kept
          QG    LYS+  66 - HB2   LEU   67   5.69 +/- 0.93   3.556% * 11.0073% (0.61   1.0  1.00   4.13  14.35) =   0.982%  kept
        T HG    LEU   40 - HB2   LEU   67   9.63 +/- 3.66   0.931% *  0.5324% (0.61   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   LEU  115 - HB2   LEU   67  14.47 +/- 2.21   0.158% *  0.5324% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  115 - HB2   LEU   67  14.66 +/- 2.75   0.171% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB2   LEU   67   8.72 +/- 1.14   0.689% *  0.0310% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   LEU   67  11.45 +/- 1.78   0.336% *  0.0615% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HB2   LEU   67  11.53 +/- 4.52   0.602% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  14.68 +/- 3.84   0.217% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  20.95 +/- 3.38   0.052% *  0.0636% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  18.43 +/- 3.26   0.094% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.65 +/- 2.45   0.085% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 3.25, residual support = 60.3:
      O T QD1   LEU   67 - HB2   LEU   67   2.42 +/- 0.36  80.866% * 98.6993% (0.70  10.0 10.00   3.25  60.35) =  99.952%  kept
        T QD2   LEU   40 - HB2   LEU   67   9.14 +/- 2.61   2.685% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.034%
          HG3   LYS+  74 - HB2   LEU   67   9.49 +/- 3.51  10.109% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.010%
          QD2   LEU   71 - HB2   LEU   67   7.69 +/- 1.52   3.722% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LEU   67  10.13 +/- 1.61   1.443% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LEU   67  14.78 +/- 3.02   0.659% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  15.20 +/- 2.57   0.515% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.76, residual support = 60.3:
          HA    LEU   67 - QD2   LEU   67   2.76 +/- 0.72  90.164% * 98.8214% (0.53   2.76  60.35) =  99.870%  kept
          HA    ASP-  76 - QD2   LEU   67  11.87 +/- 2.79   9.836% *  1.1786% (0.87   0.02   0.02) =   0.130%  kept
    Distance limit 3.01 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 3.07, residual support = 60.2:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.01  69.993% * 96.8242% (0.73  10.0  1.00   3.07  60.35) =  99.807%  kept
        T HB2   LYS+  74 - QD1   LEU   67   7.48 +/- 3.04  17.446% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.106%  kept
        T HG    LEU   40 - QD1   LEU   67   7.55 +/- 2.90   5.109% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.061%
        T HG    LEU  115 - QD1   LEU   67  11.58 +/- 2.81   0.746% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.015%
          HB3   LEU   40 - QD1   LEU   67   8.00 +/- 2.59   2.850% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.005%
        T HG    LEU   73 - QD1   LEU   67   9.07 +/- 1.31   1.076% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QD1   LEU   67  11.94 +/- 3.58   0.933% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - QD1   LEU   67  11.31 +/- 2.57   0.735% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  10.96 +/- 2.41   0.926% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  16.67 +/- 2.79   0.186% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.321, support = 3.22, residual support = 59.5:
      O T HB2   LEU   67 - QD1   LEU   67   2.42 +/- 0.36  69.780% * 75.9669% (0.31  10.0 10.00   3.25  60.35) =  97.844%  kept
          HG2   PRO   68 - QD1   LEU   67   6.86 +/- 0.55   4.901% * 22.9727% (0.92   1.0  1.00   2.02  20.10) =   2.078%  kept
          HB    ILE   19 - QD1   LEU   67   9.38 +/- 4.29  15.027% *  0.2135% (0.87   1.0  1.00   0.02   0.02) =   0.059%
          HB2   GLN   17 - QD1   LEU   67  10.19 +/- 5.51   5.423% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU  115 - QD1   LEU   67  12.10 +/- 2.62   1.156% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU- 114 - QD1   LEU   67  13.27 +/- 2.93   0.858% *  0.1971% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   58 - QD1   LEU   67  13.42 +/- 2.16   0.646% *  0.1787% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QD1   LEU   67  11.55 +/- 4.06   1.428% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   LEU   67  16.79 +/- 3.42   0.419% *  0.1103% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   LEU   67  16.68 +/- 2.54   0.362% *  0.0548% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 3.18, residual support = 60.2:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  73.073% * 98.2451% (0.87  10.0  1.00   3.19  60.35) =  99.744%  kept
          QD2   LEU   67 - QG    LYS+  66   5.06 +/- 1.19  13.468% *  1.0439% (0.07   1.0  1.00   2.76  14.35) =   0.195%  kept
        T QD1   LEU   40 - HG    LEU   67   7.30 +/- 2.61   6.325% *  0.6870% (0.61   1.0 10.00   0.02   0.02) =   0.060%
          QG2   ILE  119 - HG    LEU   67  11.21 +/- 4.15   1.993% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.42 +/- 2.75   2.412% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   8.84 +/- 3.21   2.730% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  13.26 +/- 2.26  26.570% * 52.9912% (0.98   0.02   0.02) =  48.518%  kept
          QG1   VAL   83 - QD1   LEU   67  12.69 +/- 1.92  26.604% * 34.9728% (0.65   0.02   0.02) =  32.062%  kept
          QD1   LEU  104 - QD1   LEU   67  10.37 +/- 2.59  46.825% * 12.0360% (0.22   0.02   0.02) =  19.421%  kept
    Distance limit 3.21 A violated in 20 structures by 5.86 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.874, support = 3.1, residual support = 27.2:
        T HZ    PHE   72 - QD1   LEU   67   3.16 +/- 0.64  60.692% * 75.7718% (0.97 10.00   3.41  27.19) =  83.644%  kept
        T QD    PHE   72 - QD1   LEU   67   4.02 +/- 0.83  37.145% * 24.2087% (0.41 10.00   1.50  27.19) =  16.355%  kept
          QE    PHE   45 - QD1   LEU   67   9.87 +/- 1.47   2.163% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 27.2:
          QE    PHE   72 - QD1   LEU   67   2.60 +/- 0.76  93.184% * 99.2511% (0.80   3.99  27.19) =  99.977%  kept
          HN    ALA   47 - QD1   LEU   67  13.00 +/- 2.09   2.167% *  0.5572% (0.90   0.02   0.02) =   0.013%
          QD    PHE   95 - QD1   LEU   67   8.82 +/- 2.50   4.648% *  0.1918% (0.31   0.02   0.02) =   0.010%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.597, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  16.81 +/- 3.33   6.520% * 57.9196% (0.73 10.00   0.02   0.02) =  53.319%  kept
        T HA    LEU  115 - HG    LEU   67  15.05 +/- 3.54  10.669% * 15.7849% (0.20 10.00   0.02   0.02) =  23.777%  kept
          HA    ALA  124 - HG    LEU   67  18.15 +/- 6.30  10.820% *  6.6623% (0.84  1.00   0.02   0.02) =  10.178%  kept
          HA    GLU-  36 - HG    LEU   67  19.45 +/- 2.32   3.795% *  7.5452% (0.95  1.00   0.02   0.02) =   4.042%  kept
          HA    LYS+  81 - HG    LEU   67  21.85 +/- 2.72   2.872% *  7.9057% (0.99  1.00   0.02   0.02) =   3.206%  kept
          HA    ASN   28 - HG    LEU   67  17.04 +/- 4.09  10.410% *  1.7758% (0.22  1.00   0.02   0.02) =   2.610%  kept
          HA    ARG+  54 - QG    LYS+  66  13.25 +/- 3.43  16.176% *  0.4459% (0.06  1.00   0.02   0.02) =   1.018%  kept
          HA    ALA  124 - QG    LYS+  66  15.80 +/- 5.34  13.940% *  0.5129% (0.06  1.00   0.02   0.02) =   1.009%  kept
          HA    GLU-  36 - QG    LYS+  66  21.11 +/- 2.33   3.256% *  0.5808% (0.07  1.00   0.02   0.02) =   0.267%  kept
          HA    LYS+  81 - QG    LYS+  66  21.19 +/- 3.47   2.816% *  0.6086% (0.08  1.00   0.02   0.02) =   0.242%  kept
          HA    LEU  115 - QG    LYS+  66  13.56 +/- 2.52  13.652% *  0.1215% (0.02  1.00   0.02   0.02) =   0.234%  kept
          HA    ASN   28 - QG    LYS+  66  18.62 +/- 3.31   5.073% *  0.1367% (0.02  1.00   0.02   0.02) =   0.098%
    Distance limit 4.04 A violated in 20 structures by 4.67 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.81, residual support = 60.1:
      O   HA    LEU   67 - HG    LEU   67   3.11 +/- 0.63  72.526% * 98.0557% (0.15  10.0   3.81  60.35) =  99.558%  kept
          HA    LEU   67 - QG    LYS+  66   5.07 +/- 0.82  23.877% *  1.2838% (0.01   1.0   3.40  14.35) =   0.429%  kept
          HA    ASP-  76 - HG    LEU   67  14.18 +/- 2.69   1.302% *  0.6133% (0.97   1.0   0.02   0.02) =   0.011%
          HA    ASP-  76 - QG    LYS+  66  14.38 +/- 2.99   2.295% *  0.0472% (0.07   1.0   0.02   0.02) =   0.002%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.558, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  12.99 +/- 3.38   9.696% * 26.7757% (0.87   0.02   0.02) =  37.547%  kept
          QE    PHE   95 - HG    LEU   67  12.37 +/- 2.81  11.144% * 11.5851% (0.38   0.02   0.02) =  18.672%  kept
          QD    PHE   60 - HG    LEU   67   9.58 +/- 2.24  18.597% *  5.4059% (0.18   0.02   0.02) =  14.539%  kept
          QD    PHE   55 - HG    LEU   67  16.87 +/- 2.09   3.349% * 24.7171% (0.80   0.02   0.02) =  11.971%  kept
          HN    THR   23 - HG    LEU   67  16.54 +/- 4.42   4.362% * 10.5293% (0.34   0.02   0.02) =   6.643%  kept
          HN    LYS+  81 - HG    LEU   67  21.39 +/- 2.57   1.721% * 13.8391% (0.45   0.02   0.02) =   3.444%  kept
          QE    PHE   95 - QG    LYS+  66  11.22 +/- 3.15  15.831% *  0.8918% (0.03   0.02   0.02) =   2.042%  kept
          QD    PHE   55 - QG    LYS+  66  13.89 +/- 2.27   6.706% *  1.9027% (0.06   0.02   0.02) =   1.845%  kept
          HE3   TRP   27 - QG    LYS+  66  15.00 +/- 2.58   4.909% *  2.0612% (0.07   0.02   0.02) =   1.463%  kept
          QD    PHE   60 - QG    LYS+  66   9.21 +/- 1.09  17.842% *  0.4162% (0.01   0.02   0.02) =   1.074%  kept
          HN    THR   23 - QG    LYS+  66  17.21 +/- 3.91   3.833% *  0.8106% (0.03   0.02   0.02) =   0.449%  kept
          HN    LYS+  81 - QG    LYS+  66  20.99 +/- 3.20   2.009% *  1.0653% (0.03   0.02   0.02) =   0.309%  kept
    Distance limit 3.82 A violated in 16 structures by 3.18 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.297, support = 3.05, residual support = 59.9:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  92.570% * 74.2266% (0.29  10.0 10.00   3.06  60.35) =  99.022%  kept
          HG2   PRO   68 - HB3   LEU   67   6.17 +/- 0.78   2.840% * 22.8599% (0.87   1.0  1.00   2.06  20.10) =   0.935%  kept
        T HB    ILE   19 - HB3   LEU   67  11.61 +/- 5.21   1.275% *  2.0861% (0.82   1.0 10.00   0.02   0.02) =   0.038%
          QB    GLU-  15 - HB3   LEU   67  13.06 +/- 5.01   1.402% *  0.0669% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HB3   LEU   67  11.88 +/- 6.50   1.165% *  0.0669% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HB3   LEU   67  17.01 +/- 3.42   0.280% *  0.1926% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HB3   LEU   67  15.72 +/- 2.56   0.172% *  0.1652% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.64 +/- 2.43   0.138% *  0.1746% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  20.76 +/- 3.96   0.094% *  0.1078% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  21.22 +/- 2.88   0.065% *  0.0535% (0.21   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 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  13.62 +/- 2.74 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.73 A violated in 20 structures by 9.89 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.535, support = 4.45, residual support = 60.3:
      O   HN    LEU   67 - HB3   LEU   67   3.28 +/- 0.63  83.549% * 99.4441% (0.54  10.0   4.46  60.35) =  99.974%  kept
          HD2   HIS   22 - HB3   LEU   67  16.36 +/- 4.94  10.348% *  0.1722% (0.93   1.0   0.02   0.02) =   0.021%
          HD21  ASN   35 - HB3   LEU   67  18.75 +/- 2.94   0.702% *  0.1524% (0.82   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  16.23 +/- 3.98   2.414% *  0.0391% (0.21   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   LEU   67  12.42 +/- 2.65   2.471% *  0.0348% (0.19   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   LEU   67  21.28 +/- 3.81   0.516% *  0.1575% (0.85   1.0   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 60.3:
      O   HA    LEU   67 - HB2   LEU   67   2.76 +/- 0.25  98.283% * 99.8354% (0.38  10.0   5.08  60.35) =  99.997%  kept
          HA    ASP-  76 - HB2   LEU   67  13.31 +/- 2.63   1.717% *  0.1646% (0.63   1.0   0.02   0.02) =   0.003%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.16, residual support = 27.2:
          QE    PHE   72 - HB2   LEU   67   3.36 +/- 1.44  92.473% * 99.0575% (0.58   3.16  27.19) =  99.965%  kept
          HN    ALA   47 - HB2   LEU   67  16.18 +/- 2.95   3.110% *  0.7012% (0.65   0.02   0.02) =   0.024%
          QD    PHE   95 - HB2   LEU   67  11.52 +/- 2.71   4.418% *  0.2413% (0.22   0.02   0.02) =   0.012%
    Distance limit 3.79 A violated in 1 structures by 0.38 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.12, residual support = 60.3:
      O   HN    LEU   67 - HB2   LEU   67   2.92 +/- 0.47  89.909% * 99.6033% (0.70  10.0   5.12  60.35) =  99.993%  kept
          HD2   HIS   22 - HB2   LEU   67  16.20 +/- 4.61   3.683% *  0.0862% (0.61   1.0   0.02   0.02) =   0.004%
          QE    PHE   95 - HB2   LEU   67  12.08 +/- 2.72   2.029% *  0.0626% (0.44   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   LEU   67  16.17 +/- 3.66   1.095% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  20.85 +/- 3.66   0.430% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  12.78 +/- 2.75   1.690% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  19.22 +/- 2.97   0.489% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  16.69 +/- 1.63   0.675% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.92, residual support = 27.2:
        T HZ    PHE   72 - HB2   LEU   67   4.20 +/- 1.35  85.927% * 99.9822% (0.63 10.00   2.92  27.19) =  99.997%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.51 +/- 3.98  14.073% *  0.0178% (0.11  1.00   0.02   0.02) =   0.003%
    Distance limit 4.07 A violated in 2 structures by 0.54 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.54, support = 4.06, residual support = 63.6:
      O T HA    VAL   24 - HB    VAL   24   2.65 +/- 0.31  73.288% * 82.3820% (0.57  10.0 10.00   3.97  64.99) =  93.720%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.18  24.664% * 16.3856% (0.11  10.0  1.00   5.47  42.29) =   6.273%  kept
        T HA    VAL   24 - HB2   PRO   68  20.58 +/- 3.85   0.312% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.005%
          HA    LYS+  38 - HB2   PRO   68  15.46 +/- 2.90   0.916% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB    VAL   24  19.89 +/- 1.92   0.225% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.82 +/- 4.67   0.594% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.25, residual support = 65.0:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  94.825% * 98.0584% (0.63  10.0 10.00   3.25  64.99) =  99.992%  kept
        T QG1   VAL   24 - HB2   PRO   68  18.71 +/- 3.99   0.370% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LEU   31 - HB    VAL   24  12.03 +/- 0.77   0.542% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.09 +/- 3.44   0.421% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.46 +/- 1.36   1.558% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  25.64 +/- 5.39   0.299% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.89 +/- 5.21   0.308% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.52 +/- 4.06   0.794% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.80 +/- 3.10   0.312% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.29 +/- 2.16   0.249% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.86 +/- 2.74   0.218% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.04 +/- 2.93   0.104% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.347, support = 5.86, residual support = 31.2:
      O   HN    ASN   69 - HB2   PRO   68   3.55 +/- 0.64  43.097% * 67.0843% (0.34  10.0   6.03  31.25) =  75.682%  kept
          HN    GLU-  25 - HB    VAL   24   3.49 +/- 0.63  44.885% * 17.5018% (0.31   1.0   5.87  34.44) =  20.564%  kept
          HN    ASN   28 - HB    VAL   24   5.71 +/- 0.27   9.557% * 14.9844% (0.66   1.0   2.34  13.53) =   3.749%  kept
          HN    ASP-  44 - HB    VAL   24  13.86 +/- 2.96   0.920% *  0.0647% (0.33   1.0   0.02   0.02) =   0.002%
          HN    ASN   28 - HB2   PRO   68  20.34 +/- 3.29   0.317% *  0.1575% (0.81   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB2   PRO   68  14.92 +/- 1.47   0.562% *  0.0794% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  20.56 +/- 4.33   0.395% *  0.0546% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  22.80 +/- 4.14   0.268% *  0.0732% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.0:
      O   HN    VAL   24 - HB    VAL   24   2.40 +/- 0.24  99.708% * 99.8774% (0.33  10.0   4.68  64.99) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  21.98 +/- 4.24   0.292% *  0.1226% (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 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.09, residual support = 42.3:
      O   HD3   PRO   68 - HG2   PRO   68   2.57 +/- 0.30  95.587% * 99.5120% (0.57  10.0   3.09  42.29) =  99.995%  kept
          HD2   ARG+  54 - HG2   PRO   68  20.69 +/- 6.71   2.326% *  0.1189% (0.69   1.0   0.02   0.02) =   0.003%
          HB3   CYS   53 - HG2   PRO   68  19.74 +/- 3.45   0.463% *  0.1168% (0.67   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   PRO   68  22.66 +/- 3.81   0.475% *  0.1033% (0.60   1.0   0.02   0.02) =   0.001%
          QB    PHE   55 - HG2   PRO   68  19.03 +/- 3.24   0.467% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   PRO   68  14.91 +/- 2.40   0.682% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 3.82, residual support = 42.3:
      O   HD2   PRO   68 - HG2   PRO   68   2.62 +/- 0.30  96.283% * 99.8205% (0.63  10.0   3.82  42.29) =  99.998%  kept
          HA    ALA   61 - HG2   PRO   68  11.97 +/- 2.18   1.696% *  0.0826% (0.52   1.0   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   PRO   68  20.48 +/- 4.05   0.432% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.67 +/- 3.26   1.177% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.62 +/- 2.42   0.412% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.715, support = 4.81, residual support = 66.3:
      O   HD3   PRO   68 - HG3   PRO   68   2.62 +/- 0.29  41.013% * 69.3883% (0.84  10.0  1.00   4.83  42.29) =  78.937%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.87 +/- 0.17  31.700% * 22.1184% (0.27  10.0 10.00   4.84 168.40) =  19.448%  kept
          QB    PHE   55 - HG2   ARG+  54   5.45 +/- 1.52  13.554% *  3.0343% (0.20   1.0  1.00   3.58   4.51) =   1.141%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.32 +/- 0.71   3.716% *  4.3242% (0.26   1.0  1.00   3.98  31.61) =   0.446%  kept
        T HD2   ARG+  54 - HG3   PRO   68  20.21 +/- 6.69   0.989% *  0.8289% (1.00   1.0 10.00   0.02   0.02) =   0.023%
          HD3   PRO   93 - HG2   ARG+  54  11.15 +/- 3.25   7.004% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   59 - HG3   PRO   68  14.60 +/- 2.51   0.371% *  0.0404% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  19.39 +/- 3.60   0.180% *  0.0814% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  18.73 +/- 3.31   0.203% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  22.53 +/- 4.03   0.168% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  18.80 +/- 5.39   0.519% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.33 +/- 1.60   0.584% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.62, residual support = 42.3:
      O   HD2   PRO   68 - HG3   PRO   68   2.56 +/- 0.29  84.206% * 99.5569% (0.92  10.0  1.00   5.62  42.29) =  99.994%  kept
          HA    ALA   61 - HG2   ARG+  54  11.78 +/- 2.79   7.926% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   61 - HG3   PRO   68  11.58 +/- 1.97   1.824% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HG3   PRO   68  16.34 +/- 3.35   0.715% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - HG2   ARG+  54  18.88 +/- 5.01   1.129% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  20.57 +/- 4.12   0.429% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.86 +/- 1.37   3.089% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  17.15 +/- 2.49   0.384% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  29.25 +/- 4.71   0.084% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.79 +/- 4.10   0.212% *  0.0175% (0.16   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 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 6.18, residual support = 42.3:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  88.113% * 98.5022% (0.98  10.0 10.00   6.18  42.29) =  99.997%  kept
        T HD3   PRO   93 - HD2   PRO   68  20.99 +/- 3.36   0.106% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   PRO   58   4.72 +/- 0.74   5.941% *  0.0070% (0.07   1.0  1.00   0.02  39.88) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  12.38 +/- 3.37   0.438% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.33 +/- 2.12   0.276% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  19.27 +/- 5.72   0.324% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   6.39 +/- 0.69   2.063% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  17.74 +/- 2.34   0.110% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.64 +/- 2.31   1.611% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  18.06 +/- 2.77   0.118% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.15 +/- 1.94   0.129% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.33 +/- 1.40   0.771% *  0.0058% (0.06   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 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.18, residual support = 42.3:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  97.911% * 99.4504% (0.92  10.0 10.00   6.18  42.29) =  99.999%  kept
          HA    ALA   61 - HD3   PRO   68  10.42 +/- 1.30   0.573% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  20.99 +/- 3.36   0.119% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.15 +/- 1.94   0.143% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  19.07 +/- 4.15   0.228% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  12.38 +/- 3.37   0.487% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.39 +/- 2.65   0.250% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.83 +/- 2.83   0.199% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  20.77 +/- 2.26   0.065% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.47 +/- 1.29   0.026% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.2, residual support = 20.1:
      O   HA    LEU   67 - HD3   PRO   68   2.50 +/- 0.54  97.434% * 99.7870% (0.53  10.0   5.20  20.10) =  99.998%  kept
          HA    ASP-  76 - HD3   PRO   68  16.50 +/- 2.96   0.808% *  0.1645% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   93  11.67 +/- 1.84   1.247% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  19.59 +/- 2.70   0.511% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.86, residual support = 20.1:
      O   HA    LEU   67 - HD2   PRO   68   2.55 +/- 0.51  98.257% * 99.8155% (0.53  10.0   4.86  20.10) =  99.999%  kept
          HA    ASP-  76 - HD2   PRO   68  16.60 +/- 2.57   0.632% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  16.26 +/- 3.66   0.502% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.35 +/- 1.70   0.610% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.61, residual support = 59.1:
      O   HD21  ASN   69 - HB2   ASN   69   3.10 +/- 0.50  92.475% * 99.5864% (0.65  10.0   3.61  59.08) =  99.991%  kept
          HN    GLN   17 - HB2   ASN   69  12.38 +/- 6.68   5.687% *  0.1286% (0.84   1.0   0.02   0.02) =   0.008%
          HN    ALA   61 - HB2   ASN   69  15.08 +/- 2.40   1.294% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB2   ASN   69  26.20 +/- 4.45   0.212% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  27.08 +/- 3.35   0.172% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  27.36 +/- 2.58   0.160% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.37, residual support = 59.1:
      O   HN    ASN   69 - HB2   ASN   69   3.42 +/- 0.54  97.443% * 99.9414% (0.97  10.0   5.37  59.08) =  99.999%  kept
          HN    ASN   28 - HB2   ASN   69  18.85 +/- 3.50   1.233% *  0.0426% (0.41   1.0   0.02   0.02) =   0.001%
          HN    GLY  101 - HB2   ASN   69  16.80 +/- 4.36   1.324% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.58, residual support = 59.1:
      O   HD21  ASN   69 - HB3   ASN   69   2.84 +/- 0.65  94.210% * 99.7810% (0.99  10.0   3.58  59.08) =  99.994%  kept
          HN    GLN   17 - HB3   ASN   69  12.49 +/- 6.76   5.363% *  0.0987% (0.98   1.0   0.02   0.02) =   0.006%
          HN    TRP   87 - HB3   ASN   69  26.88 +/- 3.52   0.191% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  26.06 +/- 4.66   0.236% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 59.1:
      O   HN    ASN   69 - HB3   ASN   69   3.09 +/- 0.52  97.926% * 99.9414% (0.97  10.0   4.86  59.08) =  99.999%  kept
          HN    ASN   28 - HB3   ASN   69  18.96 +/- 3.63   0.987% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   ASN   69  17.11 +/- 4.54   1.088% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.04, residual support = 58.9:
          HD21  ASN   69 - HA    ASN   69   3.49 +/- 0.80  79.411% * 89.7240% (0.20   3.05  59.08) =  99.651%  kept
          HN    GLN   17 - HA    ASN   69  11.24 +/- 7.36  15.666% *  1.0139% (0.34   0.02   0.02) =   0.222%  kept
          HN    ALA   61 - HA    ASN   69  14.62 +/- 1.79   2.192% *  2.3802% (0.80   0.02   0.02) =   0.073%
          HN    TRP   27 - HA    ASN   69  17.80 +/- 3.70   1.824% *  1.1156% (0.38   0.02   0.02) =   0.028%
          HE3   TRP   87 - HA    ASN   69  25.65 +/- 4.60   0.311% *  2.9461% (0.99   0.02   0.02) =   0.013%
          HN    ALA   91 - HA    ASN   69  26.55 +/- 3.05   0.322% *  2.1584% (0.73   0.02   0.02) =   0.010%
          HN    TRP   87 - HA    ASN   69  26.26 +/- 3.67   0.275% *  0.6618% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  13.48 +/- 2.72 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.66 A violated in 20 structures by 9.82 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.4, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HB2   SER   82   9.91 +/- 0.56   9.501% * 37.0886% (0.42 10.00   0.02   0.02) =  53.144%  kept
        T QB    ALA   88 - HA    SER   48  14.36 +/- 2.84   5.024% * 17.4364% (0.20 10.00   0.02   0.02) =  13.213%  kept
          QG2   THR   77 - HA    SER   48   7.48 +/- 1.15  22.640% *  1.9923% (0.23  1.00   0.02   0.02) =   6.803%  kept
          QG2   THR   77 - HB2   SER   82  10.05 +/- 1.06  10.165% *  4.2379% (0.48  1.00   0.02   0.02) =   6.497%  kept
          HG2   LYS+  38 - HA    VAL   70  11.89 +/- 2.94   7.581% *  4.6421% (0.53  1.00   0.02   0.02) =   5.308%  kept
          HG2   LYS+  99 - HA    VAL   70  11.36 +/- 3.57   9.270% *  3.6274% (0.41  1.00   0.02   0.02) =   5.071%  kept
          QG2   THR   77 - HA    VAL   70  15.00 +/- 1.10   2.976% *  8.7452% (0.99  1.00   0.02   0.02) =   3.925%  kept
          QG2   THR   23 - HB2   SER   82  15.47 +/- 7.81   9.026% *  0.9519% (0.11  1.00   0.02   0.02) =   1.296%  kept
          HB2   LEU   31 - HA    VAL   70  13.10 +/- 2.31   5.945% *  1.3614% (0.15  1.00   0.02   0.02) =   1.221%  kept
          QB    ALA   88 - HA    VAL   70  22.55 +/- 2.53   0.918% *  7.6536% (0.87  1.00   0.02   0.02) =   1.059%  kept
          QG2   THR   23 - HA    VAL   70  16.09 +/- 2.06   2.649% *  1.9644% (0.22  1.00   0.02   0.02) =   0.785%  kept
          HB2   LEU   31 - HB2   SER   82  19.75 +/- 9.17   3.634% *  0.6597% (0.07  1.00   0.02   0.02) =   0.362%  kept
          HG2   LYS+ 111 - HA    VAL   70  23.02 +/- 3.07   1.174% *  1.7461% (0.20  1.00   0.02   0.02) =   0.309%  kept
          QG2   THR   23 - HA    SER   48  17.04 +/- 4.63   3.866% *  0.4475% (0.05  1.00   0.02   0.02) =   0.261%  kept
          HG2   LYS+  99 - HB2   SER   82  25.37 +/- 5.51   0.830% *  1.7578% (0.20  1.00   0.02   0.02) =   0.220%  kept
          HG2   LYS+  38 - HB2   SER   82  28.09 +/- 5.19   0.495% *  2.2495% (0.25  1.00   0.02   0.02) =   0.168%  kept
          HG2   LYS+ 111 - HA    SER   48  19.82 +/- 3.63   1.918% *  0.3978% (0.05  1.00   0.02   0.02) =   0.115%  kept
          HG2   LYS+ 111 - HB2   SER   82  26.06 +/- 3.36   0.618% *  0.8462% (0.10  1.00   0.02   0.02) =   0.079%
          HG2   LYS+  99 - HA    SER   48  27.44 +/- 2.30   0.509% *  0.8264% (0.09  1.00   0.02   0.02) =   0.063%
          HG2   LYS+  38 - HA    SER   48  30.46 +/- 2.76   0.384% *  1.0576% (0.12  1.00   0.02   0.02) =   0.061%
          HB2   LEU   31 - HA    SER   48  24.08 +/- 3.77   0.878% *  0.3102% (0.04  1.00   0.02   0.02) =   0.041%
    Distance limit 3.56 A violated in 20 structures by 2.87 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.91, residual support = 34.8:
      O   HN    LEU   71 - HA    VAL   70   2.23 +/- 0.06  97.541% * 99.7573% (0.87  10.0   5.91  34.76) =  99.999%  kept
          HN    GLU- 114 - HA    VAL   70  19.88 +/- 3.17   0.279% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   SER   82  18.49 +/-10.06   0.669% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.45 +/- 2.05   0.250% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  17.37 +/- 2.84   0.344% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  23.22 +/- 3.01   0.104% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  21.40 +/- 2.44   0.132% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  20.21 +/- 2.64   0.170% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  26.57 +/- 2.70   0.066% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  21.81 +/- 5.34   0.160% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  19.39 +/- 2.91   0.220% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  26.61 +/- 2.73   0.065% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.885, support = 3.4, residual support = 49.5:
        T HZ    PHE   72 - HB    VAL   70   4.84 +/- 0.92  19.635% * 93.4223% (1.00 10.00   3.30  49.66) =  83.683%  kept
          QD    PHE   72 - HB    VAL   70   2.90 +/- 0.78  60.394% *  5.7804% (0.31  1.00   4.00  49.66) =  15.926%  kept
        T HZ    PHE   72 - QG    GLN   17  11.93 +/- 5.87  11.040% *  0.7725% (0.19 10.00   0.09   0.02) =   0.389%  kept
          QD    PHE   72 - QG    GLN   17  10.15 +/- 4.96   7.164% *  0.0054% (0.06  1.00   0.02   0.02) =   0.002%
          QE    PHE   45 - HB    VAL   70  12.31 +/- 1.50   1.054% *  0.0164% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  17.01 +/- 4.28   0.713% *  0.0030% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 4.45, residual support = 49.5:
          QE    PHE   72 - HB    VAL   70   2.69 +/- 0.85  77.423% * 97.6413% (0.73   4.47  49.66) =  99.632%  kept
          QE    PHE   72 - QG    GLN   17  10.32 +/- 5.18  19.208% *  1.4158% (0.13   0.35   0.02) =   0.358%  kept
          QD    PHE   95 - HB    VAL   70  10.92 +/- 1.78   1.902% *  0.2259% (0.38   0.02   0.02) =   0.006%
          HN    ALA   47 - HB    VAL   70  17.23 +/- 2.31   0.366% *  0.5694% (0.95   0.02   0.02) =   0.003%
          HN    ALA   47 - QG    GLN   17  19.90 +/- 5.08   0.411% *  0.1058% (0.18   0.02   0.02) =   0.001%
          QD    PHE   95 - QG    GLN   17  16.50 +/- 3.58   0.690% *  0.0420% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.43, residual support = 79.9:
      O   HN    VAL   70 - HB    VAL   70   2.63 +/- 0.37  89.586% * 99.9336% (0.76  10.0   4.43  79.92) =  99.998%  kept
          HN    VAL   70 - QG    GLN   17  11.53 +/- 6.37   9.466% *  0.0186% (0.14   1.0   0.02   0.02) =   0.002%
          HN    GLU-  79 - HB    VAL   70  17.69 +/- 1.52   0.365% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  19.35 +/- 6.09   0.584% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.77, residual support = 79.9:
          HN    VAL   70 - QG1   VAL   70   2.46 +/- 0.48  98.495% * 98.2560% (0.28   4.77  79.92) =  99.988%  kept
          HN    GLU-  79 - QG1   VAL   70  15.85 +/- 1.29   0.524% *  1.1875% (0.80   0.02   0.02) =   0.006%
          HN    THR   94 - QG1   VAL   70  12.92 +/- 1.78   0.981% *  0.5566% (0.38   0.02   0.02) =   0.006%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2859 (8.93, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.549, support = 1.47, residual support = 0.577:
          HN    VAL   42 - QG2   VAL   70   3.83 +/- 1.90  56.365% * 30.5605% (0.52   1.27   0.60) =  52.813%  kept
          HN    LEU   73 - QG2   VAL   70   5.83 +/- 0.60  22.576% * 50.5670% (0.52   2.10   0.73) =  35.001%  kept
          HN    ILE   19 - QG2   VAL   70   8.38 +/- 3.85  21.060% * 18.8725% (0.77   0.52   0.02) =  12.186%  kept
    Distance limit 3.90 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.678, support = 5.54, residual support = 33.5:
        T HG    LEU   40 - QG2   VAL   70   3.69 +/- 2.97  27.995% * 47.3810% (0.80 10.00   6.32  35.76) =  71.535%  kept
        T HB3   LEU   40 - QG2   VAL   70   4.13 +/- 2.74  21.011% * 19.5222% (0.33 10.00   3.99  35.76) =  22.121%  kept
        T HG    LEU   73 - QG2   VAL   70   7.61 +/- 1.21   3.217% * 30.7192% (0.52 10.00   2.59   0.73) =   5.329%  kept
          HG    LEU   67 - QG2   VAL   70   5.16 +/- 1.23  11.036% *  1.2689% (0.79  1.00   0.54   0.29) =   0.755%  kept
          HB3   LEU   67 - QG2   VAL   70   4.64 +/- 1.53  12.565% *  0.2310% (0.22  1.00   0.35   0.29) =   0.157%  kept
        T HG    LEU  115 - QG2   VAL   70  11.35 +/- 2.13   2.763% *  0.3072% (0.52 10.00   0.02   0.02) =   0.046%
        T HB3   LEU  115 - QG2   VAL   70  11.00 +/- 1.73   1.569% *  0.4738% (0.80 10.00   0.02   0.02) =   0.040%
          QG    LYS+  66 - QG2   VAL   70   7.56 +/- 1.38   8.185% *  0.0213% (0.36  1.00   0.02   0.02) =   0.009%
          QB    ALA   61 - QG2   VAL   70   7.43 +/- 2.24  10.012% *  0.0083% (0.14  1.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QG2   VAL   70  10.96 +/- 2.41   1.276% *  0.0307% (0.52  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - QG2   VAL   70  13.50 +/- 2.82   0.372% *  0.0363% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2861 (6.70, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.629, support = 3.89, residual support = 49.7:
        T QD    PHE   72 - QG2   VAL   70   2.07 +/- 0.39  87.000% * 55.2900% (0.64 10.00   3.81  49.66) =  90.365%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.38 +/- 0.43  11.480% * 44.6681% (0.52 10.00   4.62  49.66) =   9.633%  kept
          QE    PHE   45 - QG2   VAL   70   9.44 +/- 1.14   1.519% *  0.0419% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.34, residual support = 49.7:
          QE    PHE   72 - QG2   VAL   70   2.73 +/- 0.58  96.231% * 99.6764% (0.80   5.34  49.66) =  99.994%  kept
          HD22  ASN   28 - QG2   VAL   70  11.79 +/- 2.00   2.763% *  0.1273% (0.27   0.02   0.02) =   0.004%
          HN    ALA   47 - QG2   VAL   70  14.42 +/- 1.41   1.006% *  0.1963% (0.42   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 6.36, residual support = 34.8:
          HN    LEU   71 - QG2   VAL   70   2.79 +/- 0.50  90.304% * 99.3777% (0.76   6.37  34.76) =  99.985%  kept
          HN    GLU- 114 - QG2   VAL   70  14.65 +/- 2.54   2.082% *  0.3122% (0.76   0.02   0.02) =   0.007%
          HN    GLN  116 - QG2   VAL   70  12.64 +/- 2.29   1.572% *  0.1737% (0.42   0.02   0.02) =   0.003%
          HN    THR  118 - QG2   VAL   70  11.45 +/- 2.70   2.531% *  0.0918% (0.22   0.02   0.02) =   0.003%
          HN    PHE   60 - QG2   VAL   70   9.37 +/- 1.73   3.512% *  0.0447% (0.11   0.02   0.02) =   0.002%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.692, support = 2.93, residual support = 49.7:
        T HZ    PHE   72 - QG1   VAL   70   5.04 +/- 0.97  32.201% * 82.8950% (0.65 10.00   2.76  49.66) =  70.831%  kept
          QD    PHE   72 - QG1   VAL   70   3.83 +/- 0.54  64.544% * 17.0273% (0.80  1.00   3.32  49.66) =  29.162%  kept
          QE    PHE   45 - QG1   VAL   70  11.01 +/- 1.23   3.255% *  0.0777% (0.61  1.00   0.02   0.02) =   0.007%
    Distance limit 3.89 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 = 0.923, support = 0.745, residual support = 2.79:
          HA    VAL   41 - HB2   LEU   71   5.83 +/- 2.51  74.653% * 95.8609% (0.92   0.75   2.81) =  99.307%  kept
          HA    HIS  122 - HB2   LEU   71  15.27 +/- 5.11  15.471% *  2.6725% (0.97   0.02   0.02) =   0.574%  kept
          HA    PHE   45 - HB2   LEU   71  15.30 +/- 1.91   7.197% *  1.0393% (0.38   0.02   0.02) =   0.104%  kept
          HA    MET   92 - HB2   LEU   71  22.45 +/- 2.19   2.679% *  0.4273% (0.15   0.02   0.02) =   0.016%
    Distance limit 3.71 A violated in 13 structures by 2.27 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.35, residual support = 140.5:
      O   HN    LEU   71 - HB2   LEU   71   3.00 +/- 0.52  94.160% * 99.8011% (0.95  10.0   6.35 140.54) =  99.998%  kept
          HN    THR  118 - HB2   LEU   71  18.07 +/- 4.34   2.522% *  0.0293% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   LEU   71  19.64 +/- 3.98   1.252% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB2   LEU   71  21.98 +/- 4.25   0.640% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB2   LEU   71  15.38 +/- 2.36   1.426% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.27, residual support = 140.5:
      O   HN    LEU   71 - HB3   LEU   71   3.20 +/- 0.56  93.921% * 99.8011% (0.95  10.0   6.27 140.54) =  99.997%  kept
          HN    THR  118 - HB3   LEU   71  18.55 +/- 4.48   2.835% *  0.0293% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB3   LEU   71  20.12 +/- 4.13   1.440% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB3   LEU   71  22.50 +/- 4.33   0.703% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB3   LEU   71  15.62 +/- 2.19   1.101% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 140.5:
      O   HB2   LEU   71 - HG    LEU   71   2.52 +/- 0.16  64.548% * 99.3720% (0.97  10.0   4.92 140.54) =  99.985%  kept
          HB    VAL   41 - HG    LEU   71   8.44 +/- 2.05   7.327% *  0.0501% (0.49   1.0   0.02   2.81) =   0.006%
          HB2   LEU   71 - HG13  ILE   19   9.10 +/- 7.03  14.334% *  0.0142% (0.14   1.0   0.02   0.45) =   0.003%
          HB3   GLN   17 - HG    LEU   71  12.97 +/- 6.98   1.606% *  0.0501% (0.49   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG    LEU   71  11.87 +/- 1.66   0.978% *  0.0707% (0.69   1.0   0.02   0.02) =   0.001%
          QB    LYS+  65 - HG    LEU   71  12.13 +/- 0.90   0.678% *  0.1009% (0.98   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  14.95 +/- 3.13   0.447% *  0.1030% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.70 +/- 1.04   4.748% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG    LEU   71  15.00 +/- 3.04   0.471% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  12.49 +/- 2.86   0.841% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.79 +/- 3.02   0.123% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.18 +/- 3.18   0.995% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  11.71 +/- 4.47   1.315% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  18.20 +/- 4.21   0.275% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  17.74 +/- 3.32   0.261% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  22.45 +/- 2.52   0.110% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.11 +/- 3.04   0.081% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  19.02 +/- 4.31   0.540% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.97 +/- 3.29   0.229% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  24.99 +/- 3.17   0.091% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.76, residual support = 140.5:
          HN    LEU   71 - QD2   LEU   71   2.79 +/- 1.05  94.190% * 99.7035% (0.87   6.76 140.54) =  99.995%  kept
          HN    THR   26 - QD2   LEU   71  13.14 +/- 2.43   4.138% *  0.0848% (0.25   0.02   0.02) =   0.004%
          HN    GLU- 114 - QD2   LEU   71  18.57 +/- 3.78   0.678% *  0.1656% (0.49   0.02   0.02) =   0.001%
          HN    GLN  116 - QD2   LEU   71  16.53 +/- 3.66   0.994% *  0.0461% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.48, residual support = 20.0:
          HN    PHE   72 - QD2   LEU   71   3.88 +/- 0.24  94.690% * 99.5820% (0.73   5.48  20.04) =  99.976%  kept
          HN    LEU  104 - QD2   LEU   71  12.01 +/- 2.38   5.310% *  0.4180% (0.84   0.02   0.02) =   0.024%
    Distance limit 3.37 A violated in 0 structures by 0.51 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.61, support = 5.44, residual support = 43.2:
      O   HN    LEU   73 - HA    PHE   72   2.58 +/- 0.14  59.977% * 93.2535% (0.61  10.0   5.55  44.28) =  97.396%  kept
          HN    VAL   42 - HA    PHE   72   4.42 +/- 1.42  24.083% *  5.3983% (0.61   1.0   1.16   4.00) =   2.264%  kept
          HN    ILE   19 - HA    PHE   72   7.86 +/- 6.56  15.526% *  1.2549% (0.13   1.0   1.23   0.14) =   0.339%  kept
          HN    LYS+ 106 - HA    PHE   72  15.22 +/- 2.41   0.414% *  0.0933% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.03, residual support = 90.5:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.01  98.225% * 99.9786% (0.71  10.0   5.03  90.50) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.24 +/- 2.10   1.775% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.407, support = 2.21, residual support = 32.0:
          HG    LEU   73 - HA    PHE   72   4.70 +/- 0.90  29.131% * 50.4083% (0.37   2.71  44.28) =  69.392%  kept
          HB3   LYS+  74 - HA    PHE   72   7.54 +/- 1.23  13.395% * 27.1096% (0.31   1.72   1.89) =  17.161%  kept
          HG12  ILE   19 - HA    PHE   72   7.69 +/- 6.04  28.569% *  7.0964% (0.74   0.19   0.14) =   9.581%  kept
          HB3   LEU   67 - HA    PHE   72   8.57 +/- 1.54   6.153% * 11.3562% (0.66   0.34  27.19) =   3.302%  kept
          QB    ALA   61 - HA    PHE   72   9.39 +/- 2.03   9.962% *  0.7380% (0.74   0.02   0.02) =   0.347%  kept
          QG    LYS+  66 - HA    PHE   72  11.65 +/- 1.54   2.101% *  0.5253% (0.52   0.02   0.21) =   0.052%
          QB    ALA  110 - HA    PHE   72  17.50 +/- 3.29   1.153% *  0.7580% (0.76   0.02   0.02) =   0.041%
          QB    LEU   98 - HA    PHE   72   8.96 +/- 2.26   5.698% *  0.1513% (0.15   0.02   0.02) =   0.041%
          HG    LEU   80 - HA    PHE   72  15.78 +/- 4.05   0.902% *  0.7630% (0.76   0.02   0.02) =   0.033%
          HD3   LYS+ 121 - HA    PHE   72  16.84 +/- 3.56   1.215% *  0.3429% (0.34   0.02   0.02) =   0.020%
          HB2   LEU   80 - HA    PHE   72  15.68 +/- 3.36   0.888% *  0.4638% (0.46   0.02   0.02) =   0.019%
          HG2   LYS+ 102 - HA    PHE   72  15.87 +/- 2.56   0.832% *  0.2870% (0.29   0.02   0.02) =   0.011%
    Distance limit 3.55 A violated in 1 structures by 0.36 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.817, support = 5.57, residual support = 44.2:
          QD2   LEU   73 - HB2   PHE   72   3.21 +/- 0.67  58.734% * 98.6994% (0.82   5.58  44.28) =  99.827%  kept
          QG1   VAL   43 - HB2   PHE   72   6.14 +/- 1.72  12.636% *  0.3430% (0.17   0.10   0.02) =   0.075%
          QG1   VAL   41 - HB2   PHE   72   6.11 +/- 1.90  17.643% *  0.1232% (0.28   0.02   0.02) =   0.037%
          HG    LEU   31 - HB2   PHE   72   9.10 +/- 2.62   6.276% *  0.3239% (0.75   0.02   0.02) =   0.035%
          QD1   ILE   56 - HB2   PHE   72  11.83 +/- 3.21   3.939% *  0.3486% (0.81   0.02   0.02) =   0.024%
          HG3   LYS+ 121 - HB2   PHE   72  15.95 +/- 2.64   0.773% *  0.1619% (0.37   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 45.6:
        T QB    ALA   64 - HB2   PHE   72   4.05 +/- 1.08  96.875% * 99.9825% (0.84 10.00   3.30  45.58) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  14.49 +/- 0.95   3.125% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 4 structures by 0.66 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 6.04, residual support = 43.6:
          QD2   LEU   73 - HB3   PHE   72   3.92 +/- 0.64  40.229% * 95.2833% (0.72   6.13  44.28) =  98.461%  kept
          QG2   VAL   18 - HB3   PHE   72   8.95 +/- 4.30  13.818% *  2.6690% (0.33   0.38   1.38) =   0.947%  kept
          QG1   VAL   43 - HB3   PHE   72   6.61 +/- 1.45  12.538% *  1.0834% (0.53   0.10   0.02) =   0.349%  kept
          QG1   VAL   41 - HB3   PHE   72   5.99 +/- 2.06  21.135% *  0.2980% (0.69   0.02   0.02) =   0.162%  kept
          HG    LEU   31 - HB3   PHE   72   9.52 +/- 2.50   5.998% *  0.3521% (0.82   0.02   0.02) =   0.054%
          QD1   ILE   56 - HB3   PHE   72  11.80 +/- 3.22   3.645% *  0.2107% (0.49   0.02   0.02) =   0.020%
          QG2   THR   46 - HB3   PHE   72  10.65 +/- 1.09   2.636% *  0.1035% (0.24   0.02   0.02) =   0.007%
    Distance limit 3.62 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.7, residual support = 45.6:
        T QB    ALA   64 - HB3   PHE   72   3.91 +/- 1.28  85.445% * 99.9693% (0.63 10.00   3.70  45.58) =  99.995%  kept
          QD1   LEU  115 - HB3   PHE   72  11.31 +/- 3.37  14.555% *  0.0307% (0.19  1.00   0.02   0.02) =   0.005%
    Distance limit 3.68 A violated in 7 structures by 0.68 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.547, support = 1.12, residual support = 11.8:
        T HA    VAL   18 - HB2   PHE   72   8.66 +/- 6.04  36.238% * 72.4470% (0.47 10.00   0.91   1.38) =  78.200%  kept
          HA    VAL   70 - HB2   PHE   72   6.62 +/- 0.75  27.402% * 26.4520% (0.82  1.00   1.91  49.66) =  21.590%  kept
          HA    GLN  116 - HB2   PHE   72  15.11 +/- 4.25  12.530% *  0.2769% (0.82  1.00   0.02   0.02) =   0.103%  kept
          HB2   SER   37 - HB2   PHE   72  11.69 +/- 2.64  10.085% *  0.1713% (0.51  1.00   0.02   0.02) =   0.051%
          HA    LYS+  33 - HB2   PHE   72  13.87 +/- 2.62   3.220% *  0.2159% (0.64  1.00   0.02   0.02) =   0.021%
          HA    GLU-  29 - HB2   PHE   72  13.98 +/- 2.33   3.063% *  0.1713% (0.51  1.00   0.02   0.02) =   0.016%
          HA1   GLY   16 - HB2   PHE   72  13.26 +/- 5.34   4.971% *  0.0785% (0.23  1.00   0.02   0.02) =   0.012%
          HB2   SER   82 - HB2   PHE   72  19.87 +/- 3.21   1.110% *  0.1375% (0.41  1.00   0.02   0.02) =   0.005%
          HA    SER   48 - HB2   PHE   72  17.54 +/- 2.18   1.382% *  0.0495% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 6 structures by 1.32 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.476, support = 1.67, residual support = 42.3:
          HA    VAL   70 - HB3   PHE   72   5.76 +/- 0.83  33.783% * 75.7545% (0.53  1.00   1.79  49.66) =  84.882%  kept
          HA    VAL   18 - HB3   PHE   72   8.78 +/- 6.13  29.164% * 13.7575% (0.15  1.00   1.13   1.38) =  13.307%  kept
        T HA    LYS+  33 - HB3   PHE   72  13.83 +/- 2.77   3.577% *  4.3083% (0.27 10.00   0.02   0.02) =   0.511%  kept
          HB2   SER   37 - HB3   PHE   72  11.29 +/- 2.88  10.345% *  1.3682% (0.85  1.00   0.02   0.02) =   0.469%  kept
          HA    GLN  116 - HB3   PHE   72  14.92 +/- 4.17  13.796% *  0.8466% (0.53  1.00   0.02   0.02) =   0.387%  kept
        T HA    GLU-  29 - HB3   PHE   72  14.35 +/- 2.17   2.629% *  2.7624% (0.17 10.00   0.02   0.02) =   0.241%  kept
          HA1   GLY   16 - HB3   PHE   72  12.67 +/- 6.11   5.851% *  1.0136% (0.63  1.00   0.02   0.02) =   0.197%  kept
          HB2   SER   82 - HB3   PHE   72  20.66 +/- 2.94   0.854% *  0.1889% (0.12  1.00   0.02   0.02) =   0.005%
    Distance limit 3.93 A violated in 5 structures by 1.04 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.86, residual support = 90.5:
      O T QD    PHE   72 - HB3   PHE   72   2.47 +/- 0.14  91.462% * 94.5527% (0.87  10.0 10.00   4.87  90.50) =  99.612%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   7.082% *  4.5725% (0.27   1.0  1.00   3.13  90.50) =   0.373%  kept
        T QE    PHE   45 - HB3   PHE   72  10.16 +/- 1.16   1.457% *  0.8748% (0.80   1.0 10.00   0.02   0.02) =   0.015%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.832, support = 4.57, residual support = 90.5:
      O T QD    PHE   72 - HB2   PHE   72   2.40 +/- 0.14  91.615% * 95.5151% (0.83  10.0 10.00   4.58  90.50) =  99.674%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   6.469% *  4.3965% (0.26   1.0  1.00   2.98  90.50) =   0.324%  kept
          QE    PHE   45 - HB2   PHE   72   9.57 +/- 1.35   1.916% *  0.0884% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.98, residual support = 90.5:
      O   HN    PHE   72 - HB2   PHE   72   3.48 +/- 0.45  96.319% * 99.9402% (0.79  10.0   4.98  90.50) =  99.998%  kept
          HN    LEU  104 - HB2   PHE   72  12.02 +/- 2.24   3.681% *  0.0598% (0.47   1.0   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.904, support = 0.721, residual support = 4.64:
          HG3   GLN   30 - HA    LEU   73   9.05 +/- 4.19  20.821% * 50.3685% (0.99   0.73   4.76) =  56.737%  kept
          HB2   GLN   30 - HA    LEU   73   8.84 +/- 3.29  18.053% * 41.7607% (0.80   0.75   4.76) =  40.789%  kept
          HB3   PRO   68 - HA    LEU   73  13.74 +/- 1.73   7.873% *  1.2064% (0.87   0.02   0.02) =   0.514%  kept
          HB2   GLN   17 - HA    LEU   73  12.63 +/- 7.04  10.412% *  0.6769% (0.49   0.02   0.02) =   0.381%  kept
          HB    ILE  119 - HA    LEU   73  17.51 +/- 3.16   5.177% *  1.1136% (0.80   0.02   0.02) =   0.312%  kept
          HB3   GLU- 100 - HA    LEU   73  17.60 +/- 2.20   4.201% *  1.2064% (0.87   0.02   0.02) =   0.274%  kept
          QB    GLU-  15 - HA    LEU   73  14.05 +/- 5.06   5.385% *  0.6769% (0.49   0.02   0.02) =   0.197%  kept
          HB2   ARG+  54 - HA    LEU   73  18.88 +/- 4.22   5.335% *  0.6769% (0.49   0.02   0.02) =   0.195%  kept
          HB2   PRO   93 - HA    LEU   73  14.34 +/- 3.18  11.431% *  0.3096% (0.22   0.02   0.02) =   0.191%  kept
          HB    VAL  108 - HA    LEU   73  18.45 +/- 2.74   4.364% *  0.7874% (0.57   0.02   0.02) =   0.186%  kept
          HB2   LYS+ 111 - HA    LEU   73  21.72 +/- 4.48   3.149% *  0.7874% (0.57   0.02   0.02) =   0.134%  kept
          HB3   GLU-  25 - HA    LEU   73  15.36 +/- 3.86   3.799% *  0.4292% (0.31   0.02   0.02) =   0.088%
    Distance limit 3.82 A violated in 14 structures by 2.74 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.72, residual support = 41.7:
      O   HN    LYS+  74 - HA    LEU   73   2.53 +/- 0.20  97.135% * 99.6525% (0.69  10.0   5.72  41.66) =  99.998%  kept
          HN    LYS+ 112 - HA    LEU   73  20.21 +/- 4.98   0.515% *  0.1448% (1.00   1.0   0.02   0.11) =   0.001%
          HN    THR   46 - HA    LEU   73  10.76 +/- 1.49   1.671% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LEU   73  22.02 +/- 4.75   0.248% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  16.24 +/- 2.09   0.431% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.788, support = 6.38, residual support = 168.4:
      O   HN    LEU   73 - HA    LEU   73   2.86 +/- 0.04  50.373% * 96.2960% (0.80  10.0   6.48 172.16) =  97.744%  kept
          HN    ILE   19 - HA    LEU   73   7.34 +/- 7.81  42.494% *  2.4498% (0.18   1.0   2.33   5.22) =   2.098%  kept
          HN    VAL   42 - HA    LEU   73   6.80 +/- 1.26   6.763% *  1.1579% (0.80   1.0   0.24   0.62) =   0.158%  kept
          HN    LYS+ 106 - HA    LEU   73  16.81 +/- 2.59   0.371% *  0.0963% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.22, residual support = 171.5:
      O   HN    LEU   73 - HB2   LEU   73   3.39 +/- 0.34  87.891% * 96.6749% (0.38  10.0   6.24 172.16) =  99.599%  kept
          HN    VAL   42 - HB2   LEU   73   7.75 +/- 1.40  11.055% *  3.0680% (0.38   1.0   0.63   0.62) =   0.398%  kept
          HN    LYS+ 106 - HB2   LEU   73  16.91 +/- 2.96   1.054% *  0.2570% (1.00   1.0   0.02   0.02) =   0.003%
    Distance limit 4.04 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 = 0.819, support = 1.8, residual support = 5.61:
          HA    VAL   43 - HB2   LEU   73   6.60 +/- 1.61  53.095% * 87.7945% (0.80  1.00   1.97   6.16) =  91.024%  kept
        T HA    HIS   22 - HB2   LEU   73   9.15 +/- 4.69  40.749% * 11.1159% (1.00 10.00   0.02   0.02) =   8.845%  kept
          HA    ASN   69 - HB2   LEU   73  13.90 +/- 1.39   6.155% *  1.0896% (0.98  1.00   0.02   0.02) =   0.131%  kept
    Distance limit 4.03 A violated in 12 structures by 1.77 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.256, support = 5.43, residual support = 41.1:
          HN    LYS+  74 - HB3   LEU   73   3.42 +/- 0.90  92.930% * 75.1333% (0.25   5.49  41.66) =  98.732%  kept
          HN    LYS+ 112 - HB3   LEU   73  19.85 +/- 5.93   3.702% * 23.7940% (0.76   0.57   0.11) =   1.246%  kept
          HN    ASP-  78 - HB3   LEU   73  12.50 +/- 1.14   2.881% *  0.4512% (0.41   0.02   0.02) =   0.018%
          HN    MET   11 - HB3   LEU   73  22.74 +/- 4.60   0.487% *  0.6214% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.21 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.731, support = 5.48, residual support = 162.5:
          HN    LEU   73 - HG    LEU   73   2.81 +/- 0.77  34.482% * 65.9459% (0.80   5.66 172.16) =  88.174%  kept
          HN    ILE   19 - HG12  ILE   19   3.00 +/- 0.76  30.421% *  5.2144% (0.06   6.26 171.75) =   6.151%  kept
          HN    ILE   19 - HG    LEU   73   8.69 +/- 5.69   6.931% *  7.3156% (0.18   2.87   5.22) =   1.966%  kept
          HN    VAL   42 - HG    LEU   73   6.90 +/- 1.84   3.592% * 13.5713% (0.80   1.16   0.62) =   1.890%  kept
          HN    VAL   42 - HG    LEU   40   5.58 +/- 1.20   6.374% *  5.1247% (0.15   2.36   1.71) =   1.267%  kept
          HN    LEU   73 - HG12  ILE   19   8.35 +/- 5.49   6.185% *  2.2338% (0.26   0.59   5.22) =   0.536%  kept
          HN    VAL   42 - HG12  ILE   19  10.42 +/- 4.31   1.472% *  0.0762% (0.26   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HG    LEU   40  12.08 +/- 2.37   2.315% *  0.0435% (0.15   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HG    LEU   73  15.81 +/- 3.18   0.362% *  0.2332% (0.80   0.02   0.02) =   0.003%
          HN    LEU   73 - HG    LEU   40   9.58 +/- 2.08   1.245% *  0.0435% (0.15   0.02   0.02) =   0.002%
          HN    LEU   73 - HG    LEU  115  14.68 +/- 4.86   3.200% *  0.0065% (0.02   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   80  14.07 +/- 4.17   0.455% *  0.0284% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  19.77 +/- 3.43   0.168% *  0.0762% (0.26   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  15.37 +/- 4.16   0.415% *  0.0284% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.89 +/- 3.23   0.549% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  20.39 +/- 4.39   0.136% *  0.0284% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.34 +/- 1.58   0.573% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  13.62 +/- 2.10   0.516% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  19.14 +/- 8.77   0.294% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  18.49 +/- 4.00   0.316% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.146, support = 1.22, residual support = 1.44:
          HN    LEU   71 - HG    LEU   40   5.92 +/- 3.37  39.283% * 21.2920% (0.05   1.72   1.80) =  46.910%  kept
          HN    LEU   71 - HG    LEU   73   9.24 +/- 1.38   9.888% * 55.4400% (0.28   0.84   1.64) =  30.744%  kept
          HN    LEU   71 - HG12  ILE   19   9.32 +/- 5.53  21.405% * 16.4515% (0.09   0.76   0.45) =  19.750%  kept
          HN    THR   26 - HG    LEU   73  11.10 +/- 4.40   9.026% *  3.9812% (0.84   0.02   0.02) =   2.015%  kept
          HN    THR   26 - HG12  ILE   19  11.00 +/- 1.49   4.669% *  1.3002% (0.27   0.02   0.02) =   0.340%  kept
          HN    THR   26 - HG    LEU   80  15.40 +/- 9.93   6.277% *  0.4844% (0.10   0.02   0.02) =   0.171%  kept
          HN    THR   26 - HG    LEU   40  18.18 +/- 1.96   0.966% *  0.7422% (0.16   0.02   0.02) =   0.040%
          HN    LEU   71 - HG    LEU  115  16.50 +/- 3.40   6.106% *  0.0367% (0.01   0.02   0.02) =   0.013%
          HN    THR   26 - HG    LEU  115  23.90 +/- 4.45   1.431% *  0.1104% (0.02   0.02   0.02) =   0.009%
          HN    LEU   71 - HG    LEU   80  19.05 +/- 4.04   0.947% *  0.1613% (0.03   0.02   0.02) =   0.009%
    Distance limit 4.04 A violated in 0 structures by 0.73 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 8.04, residual support = 171.5:
          HN    LEU   73 - QD2   LEU   73   1.83 +/- 0.25  86.832% * 96.1234% (0.38   8.07 172.16) =  99.633%  kept
          HN    VAL   42 - QD2   LEU   73   4.94 +/- 1.34  10.482% *  2.8647% (0.38   0.24   0.62) =   0.358%  kept
          HN    LYS+ 106 - HG3   LYS+ 121  10.38 +/- 6.41   1.821% *  0.2160% (0.34   0.02   0.02) =   0.005%
          HN    LYS+ 106 - QD2   LEU   73  12.54 +/- 2.28   0.433% *  0.6334% (1.00   0.02   0.02) =   0.003%
          HN    VAL   42 - HG3   LYS+ 121  14.41 +/- 3.46   0.263% *  0.0812% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  17.32 +/- 2.79   0.168% *  0.0812% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.266, support = 5.8, residual support = 40.3:
          HN    LYS+  74 - QD2   LEU   73   3.78 +/- 0.46  81.212% * 78.9840% (0.25   5.99  41.66) =  96.700%  kept
          HN    LYS+ 112 - QD2   LEU   73  15.70 +/- 4.85  11.219% * 19.2634% (0.76   0.48   0.11) =   3.258%  kept
          HN    ASP-  78 - QD2   LEU   73  10.84 +/- 1.27   3.790% *  0.4350% (0.41   0.02   0.02) =   0.025%
          HN    MET   11 - QD2   LEU   73  19.24 +/- 3.36   1.033% *  0.5991% (0.57   0.02   0.02) =   0.009%
          HN    LYS+ 112 - HG3   LYS+ 121  16.39 +/- 1.45   1.152% *  0.2758% (0.26   0.02   0.02) =   0.005%
          HN    MET   11 - HG3   LYS+ 121  32.39 +/- 6.40   0.543% *  0.2043% (0.19   0.02   0.02) =   0.002%
          HN    LYS+  74 - HG3   LYS+ 121  20.07 +/- 2.29   0.720% *  0.0900% (0.09   0.02   0.02) =   0.001%
          HN    ASP-  78 - HG3   LYS+ 121  24.75 +/- 2.15   0.332% *  0.1484% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.06 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   2.90 +/- 0.38  96.274% * 98.7241% (0.20  10.0   5.79 186.65) =  99.975%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.00 +/- 1.13   2.830% *  0.7492% (0.33   1.0   0.09   0.02) =   0.022%
          HN    LYS+ 112 - HB2   LYS+  74  20.31 +/- 3.34   0.583% *  0.3026% (0.61   1.0   0.02   0.02) =   0.002%
          HN    MET   11 - HB2   LYS+  74  22.86 +/- 4.83   0.313% *  0.2242% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.413, support = 4.47, residual support = 31.9:
          HN    VAL   75 - HB3   LYS+  74   4.48 +/- 0.19  90.122% * 95.3702% (0.41   4.49  32.06) =  99.652%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.56 +/- 0.69   7.082% *  4.1294% (0.87   0.09   0.02) =   0.339%  kept
          HN    LYS+ 112 - HB3   LYS+  74  20.22 +/- 3.70   1.701% *  0.3192% (0.31   0.02   0.02) =   0.006%
          HN    MET   11 - HB3   LYS+  74  22.63 +/- 4.58   1.096% *  0.1811% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.70 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.9, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   3.75 +/- 0.68  91.850% * 98.1273% (0.84   5.90  32.06) =  99.871%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.58 +/- 1.06   6.465% *  1.7955% (0.98   0.09   0.02) =   0.129%  kept
          HN    VAL   75 - HG3   LYS+ 111  19.46 +/- 2.39   0.972% *  0.0355% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.45 +/- 2.18   0.713% *  0.0417% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.745, residual support = 0.745:
          QG1   VAL   75 - HA    THR   77   3.91 +/- 0.27  96.579% * 97.9655% (0.84   0.75   0.75) =  99.926%  kept
          QD1   LEU  115 - HA    THR   77  13.10 +/- 1.90   3.421% *  2.0345% (0.65   0.02   0.02) =   0.074%
    Distance limit 3.58 A violated in 0 structures by 0.35 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   2.79 +/- 0.55  97.748% * 99.9053% (0.95  10.0   3.95  39.69) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.19 +/- 0.83   2.252% *  0.0947% (0.90   1.0   0.02   0.34) =   0.002%
    Distance limit 3.61 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   2.69 +/- 0.47  97.828% * 99.9053% (0.95  10.0   5.34  39.69) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78   9.98 +/- 0.66   2.172% *  0.0947% (0.90   1.0   0.02   0.34) =   0.002%
    Distance limit 3.56 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   2.69 +/- 0.19  97.716% * 99.1581% (1.00  10.0 10.00   4.40  56.61) =  99.993%  kept
        T HB2   GLN   90 - HA    GLU-  79  13.55 +/- 2.21   1.063% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HB3   GLU-  29 - HA    GLU-  79  20.76 +/- 5.99   0.346% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  20.02 +/- 6.63   0.428% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.18 +/- 2.74   0.177% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  25.66 +/- 4.11   0.270% *  0.0221% (0.22   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 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   2.44 +/- 0.13  97.558% * 99.5936% (0.98  10.0   3.65  56.61) =  99.999%  kept
          QG    GLU-  79 - HB2   GLN   90  13.71 +/- 1.79   0.637% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  20.32 +/- 4.30   0.224% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  24.25 +/- 3.87   0.179% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  19.62 +/- 2.73   0.275% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  18.73 +/- 2.44   0.288% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  24.22 +/- 2.53   0.112% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  22.93 +/- 3.24   0.202% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  27.69 +/- 3.62   0.080% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  22.31 +/- 1.87   0.139% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  18.22 +/- 1.29   0.250% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  30.44 +/- 2.75   0.055% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.884, support = 3.24, residual support = 11.2:
          HB2   ASP-  76 - HB3   GLU-  79   3.23 +/- 1.02  60.297% * 33.7555% (1.00  1.00   1.88   2.48) =  51.418%  kept
          HB2   ASP-  78 - HB3   GLU-  79   4.91 +/- 0.87  29.815% * 64.4478% (0.76  1.00   4.69  20.53) =  48.542%  kept
        T HB2   ASN   28 - HB3   GLU-  79  17.06 +/- 6.62   1.171% *  0.6301% (0.18 10.00   0.02   0.02) =   0.019%
          HB2   ASP-  78 - HB2   GLN   90  11.50 +/- 2.21   3.031% *  0.1022% (0.28  1.00   0.02   0.02) =   0.008%
          HB2   ASP-  76 - HB2   GLN   90  14.02 +/- 2.15   1.243% *  0.1334% (0.37  1.00   0.02   0.02) =   0.004%
          HB2   ASN   69 - HB3   GLU-  79  21.98 +/- 2.88   0.306% *  0.3472% (0.97  1.00   0.02   0.02) =   0.003%
          QE    LYS+  66 - HB3   GLU-  79  19.10 +/- 3.66   0.867% *  0.0712% (0.20  1.00   0.02   0.02) =   0.002%
          QE    LYS+  66 - HB2   GLN   90  24.08 +/- 5.49   2.171% *  0.0265% (0.07  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HB3   GLU-  79  19.06 +/- 4.43   0.551% *  0.0897% (0.25  1.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HB2   GLN   90  25.85 +/- 5.15   0.209% *  0.2341% (0.07 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB2   GLN   90  29.68 +/- 3.04   0.186% *  0.1290% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HB2   GLN   90  27.44 +/- 2.99   0.153% *  0.0333% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.8, support = 4.4, residual support = 56.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.69 +/- 0.19  79.553% * 97.6529% (0.80  10.0 10.00   4.40  56.61) =  99.935%  kept
          HB    THR   77 - HB3   GLU-  79   7.80 +/- 0.56   3.449% *  1.2572% (0.31   1.0  1.00   0.67   0.02) =   0.056%
        T HA    GLU-  79 - HB2   GLN   90  13.55 +/- 2.21   0.864% *  0.3628% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   85 - HB2   GLN   90   7.12 +/- 1.32   6.684% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   GLN   90   8.71 +/- 2.57   4.101% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  18.46 +/- 4.78   0.384% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLN   90  14.17 +/- 3.88   0.991% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  17.78 +/- 2.42   0.323% *  0.1154% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.17 +/- 1.55   0.984% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.22 +/- 0.92   0.793% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  18.87 +/- 3.36   0.353% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.92 +/- 2.34   0.166% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.84 +/- 4.28   0.295% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.33 +/- 1.36   0.476% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.96 +/- 6.85   0.118% *  0.0272% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  26.26 +/- 2.36   0.092% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  22.85 +/- 2.92   0.152% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.91 +/- 2.06   0.063% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.59 +/- 2.95   0.130% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.74 +/- 3.68   0.030% *  0.0101% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.95, residual support = 93.6:
      O T HA    GLN   90 - HB2   GLN   90   2.61 +/- 0.26  81.351% * 87.0283% (0.27  10.0 10.00   3.96  94.70) =  98.288%  kept
          HA    ALA   91 - HB2   GLN   90   5.31 +/- 0.51  12.723% *  9.4609% (0.18   1.0  1.00   3.24  32.02) =   1.671%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.10 +/- 1.86   1.003% *  2.3423% (0.73   1.0 10.00   0.02   0.02) =   0.033%
          HA    ALA   91 - HB3   GLU-  79  12.40 +/- 3.11   1.239% *  0.1570% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HA    TRP   27 - HB3   GLU-  79  14.27 +/- 6.66   1.705% *  0.0897% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - HB3   GLU-  79  20.79 +/- 2.98   0.215% *  0.2694% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   GLN   90  15.95 +/- 2.70   0.556% *  0.1001% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  20.43 +/- 2.34   0.235% *  0.2087% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  21.20 +/- 2.57   0.189% *  0.1697% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.21 +/- 3.82   0.371% *  0.0631% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  19.03 +/- 1.82   0.261% *  0.0775% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  23.85 +/- 4.57   0.150% *  0.0333% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.9, support = 2.91, residual support = 10.0:
          HB2   ASP-  76 - HB2   GLU-  79   3.29 +/- 0.88  72.189% * 32.0471% (1.00   1.69   2.48) =  58.315%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.42 +/- 0.82  24.549% * 67.3488% (0.76   4.63  20.53) =  41.676%  kept
          HB2   ASN   69 - HB2   GLU-  79  21.71 +/- 3.00   0.413% *  0.3672% (0.97   0.02   0.02) =   0.004%
          HB2   ASN   28 - HB2   GLU-  79  16.65 +/- 6.90   1.670% *  0.0666% (0.18   0.02   0.02) =   0.003%
          QE    LYS+  33 - HB2   GLU-  79  18.77 +/- 4.45   0.657% *  0.0949% (0.25   0.02   0.02) =   0.002%
          QE    LYS+  66 - HB2   GLU-  79  19.07 +/- 3.66   0.522% *  0.0753% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.68, residual support = 48.7:
          HN    LEU   80 - HB2   GLU-  79   2.84 +/- 0.48  95.994% * 98.5936% (0.61   5.68  48.75) =  99.987%  kept
          HN    SER   85 - HB2   GLU-  79  10.22 +/- 0.84   2.386% *  0.2788% (0.49   0.02   0.02) =   0.007%
          HN    GLN   32 - HB2   GLU-  79  18.92 +/- 5.23   0.527% *  0.4968% (0.87   0.02   0.02) =   0.003%
          HN    ALA   34 - HB2   GLU-  79  19.54 +/- 4.05   0.412% *  0.4159% (0.73   0.02   0.02) =   0.002%
          HN    CYS   53 - HB2   GLU-  79  16.47 +/- 2.53   0.681% *  0.2150% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.87, residual support = 48.7:
          HN    LEU   80 - HB3   GLU-  79   3.28 +/- 0.72  79.100% * 98.0229% (0.61   5.87  48.75) =  99.960%  kept
          HN    SER   85 - HB2   GLN   90   8.18 +/- 1.52  10.687% *  0.0995% (0.18   0.02   0.02) =   0.014%
          HN    SER   85 - HB3   GLU-  79  10.73 +/- 0.87   2.654% *  0.2678% (0.49   0.02   0.02) =   0.009%
          HN    GLN   32 - HB3   GLU-  79  19.37 +/- 5.03   0.721% *  0.4773% (0.87   0.02   0.02) =   0.004%
          HN    LEU   80 - HB2   GLN   90  12.12 +/- 1.63   2.514% *  0.1240% (0.23   0.02   0.02) =   0.004%
          HN    ALA   34 - HB3   GLU-  79  19.97 +/- 3.98   0.572% *  0.3995% (0.73   0.02   0.02) =   0.003%
          HN    CYS   53 - HB3   GLU-  79  16.45 +/- 2.61   1.053% *  0.2065% (0.38   0.02   0.02) =   0.003%
          HN    CYS   53 - HB2   GLN   90  13.86 +/- 3.17   2.339% *  0.0767% (0.14   0.02   0.02) =   0.002%
          HN    GLN   32 - HB2   GLN   90  27.91 +/- 4.17   0.198% *  0.1773% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  28.72 +/- 3.07   0.161% *  0.1484% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 94.7:
      O   HN    GLN   90 - HB2   GLN   90   2.98 +/- 0.64  90.875% * 98.6230% (0.23  10.0   5.59  94.70) =  99.985%  kept
          HN    GLN   90 - HB3   GLU-  79  13.32 +/- 1.56   1.614% *  0.2654% (0.61   1.0   0.02   0.02) =   0.005%
          HE1   HIS   22 - HB3   GLU-  79  15.15 +/- 9.32   4.730% *  0.0675% (0.15   1.0   0.02   0.02) =   0.004%
          HN    GLY  109 - HB3   GLU-  79  19.78 +/- 2.90   0.492% *  0.3925% (0.90   1.0   0.02   0.02) =   0.002%
          HN    GLY  109 - HB2   GLN   90  15.28 +/- 3.17   1.318% *  0.1458% (0.33   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HB3   GLU-  79  19.78 +/- 3.47   0.443% *  0.3504% (0.80   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HB2   GLN   90  23.73 +/- 3.37   0.228% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  25.39 +/- 6.00   0.299% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.23, residual support = 48.7:
          HN    LEU   80 - QG    GLU-  79   3.66 +/- 0.62  90.387% * 98.4758% (0.61   5.23  48.75) =  99.962%  kept
          HN    SER   85 - QG    GLU-  79   9.97 +/- 0.57   5.086% *  0.3021% (0.49   0.02   0.02) =   0.017%
          HN    GLN   32 - QG    GLU-  79  17.09 +/- 5.10   1.764% *  0.5384% (0.87   0.02   0.02) =   0.011%
          HN    ALA   34 - QG    GLU-  79  17.73 +/- 4.04   1.323% *  0.4507% (0.73   0.02   0.02) =   0.007%
          HN    CYS   53 - QG    GLU-  79  16.34 +/- 2.36   1.440% *  0.2330% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.72 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.59, residual support = 48.7:
      O   HN    LEU   80 - HA    GLU-  79   3.52 +/- 0.23  94.675% * 99.2120% (0.28  10.0   5.59  48.75) =  99.984%  kept
          HN    SER   85 - HA    GLU-  79  10.16 +/- 0.63   4.066% *  0.2980% (0.84   1.0   0.02   0.02) =   0.013%
          HN    GLN   32 - HA    GLU-  79  20.43 +/- 4.81   0.716% *  0.3560% (1.00   1.0   0.02   0.02) =   0.003%
          HN    ALA   34 - HA    GLU-  79  21.24 +/- 3.63   0.543% *  0.1339% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.669, support = 4.5, residual support = 85.1:
      O   HB2   LEU   80 - QD2   LEU   80   2.53 +/- 0.40  37.391% * 71.2691% (0.87  10.0  1.00   4.27  85.08) =  62.391%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  57.298% * 28.0259% (0.34  10.0  1.00   4.87  85.08) =  37.597%  kept
        T HB3   LEU   73 - QD2   LEU   80  10.14 +/- 3.89   1.431% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LYS+  74 - QD2   LEU   80  10.07 +/- 2.39   0.827% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   80  12.47 +/- 3.18   0.551% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QD2   LEU   80  15.55 +/- 3.07   0.548% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  15.60 +/- 6.56   0.360% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  16.37 +/- 6.05   0.280% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  13.90 +/- 2.98   0.305% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  19.28 +/- 4.94   0.120% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  21.88 +/- 3.66   0.068% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.98 +/- 2.37   0.303% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  15.67 +/- 2.91   0.193% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  17.34 +/- 4.48   0.237% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  19.96 +/- 2.73   0.090% *  0.0144% (0.18   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 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.872, support = 5.75, residual support = 76.9:
          HA    LEU   80 - QD2   LEU   80   2.46 +/- 0.47  69.564% * 59.2070% (0.87   6.21  85.08) =  90.185%  kept
          HA    THR   23 - QD2   LEU   80  10.28 +/- 8.38  18.518% * 16.5280% (0.99   1.52   0.86) =   6.702%  kept
          HB    THR   23 - QD2   LEU   80  11.67 +/- 8.13   6.432% * 14.1035% (0.73   1.77   0.86) =   1.986%  kept
          HA    ASP-  78 - QD2   LEU   80   7.06 +/- 0.99   5.110% * 10.0629% (0.80   1.14   6.34) =   1.126%  kept
          HA    ASP- 105 - QD2   LEU   80  17.70 +/- 3.58   0.376% *  0.0986% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.578, support = 4.36, residual support = 23.8:
          HN    LYS+  81 - QD2   LEU   80   4.39 +/- 0.49  44.882% * 40.6013% (0.38   6.01  39.67) =  53.354%  kept
          HE3   TRP   27 - QD2   LEU   80  10.34 +/- 7.48  29.202% * 42.5071% (0.92   2.56   6.92) =  36.343%  kept
          HN    THR   23 - QD2   LEU   80  10.60 +/- 8.21  21.449% * 16.3691% (0.41   2.21   0.86) =  10.280%  kept
          QE    PHE   95 - QD2   LEU   80  13.28 +/- 2.02   2.338% *  0.1615% (0.45   0.02   0.02) =   0.011%
          QD    PHE   55 - QD2   LEU   80  17.56 +/- 2.81   1.106% *  0.3124% (0.87   0.02   0.02) =   0.010%
          HN    LEU   67 - QD2   LEU   80  15.99 +/- 2.31   1.023% *  0.0487% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 2.19, residual support = 5.24:
          HN    VAL   24 - QD2   LEU   80   9.51 +/- 8.59  62.511% * 99.3482% (0.31   2.20   5.26) =  99.608%  kept
          HN    VAL   43 - QD2   LEU   80  11.53 +/- 2.92  37.489% *  0.6518% (0.22   0.02   0.02) =   0.392%  kept
    Distance limit 3.58 A violated in 8 structures by 3.63 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.281, support = 4.68, residual support = 35.0:
          HN    LYS+  81 - QD1   LEU   80   3.71 +/- 0.94  46.753% * 71.5502% (0.24   5.34  39.67) =  86.225%  kept
          HE3   TRP   27 - QD1   LEU   80  11.52 +/- 7.72  20.913% * 19.9622% (0.60   0.61   6.92) =  10.761%  kept
          HN    THR   23 - QD1   LEU   80  11.43 +/- 8.52  18.350% *  6.1576% (0.27   0.42   0.86) =   2.912%  kept
          HE3   TRP   27 - QD2   LEU   98   8.84 +/- 2.76   5.933% *  0.3779% (0.34   0.02   0.02) =   0.058%
          QE    PHE   95 - QD1   LEU   80  13.59 +/- 2.35   1.284% *  0.3202% (0.29   0.02   0.02) =   0.011%
          QD    PHE   55 - QD1   LEU   80  17.62 +/- 3.07   0.561% *  0.6194% (0.56   0.02   0.02) =   0.009%
          QE    PHE   95 - QD2   LEU   98  11.19 +/- 1.15   1.694% *  0.1835% (0.17   0.02   0.02) =   0.008%
          HN    THR   23 - QD2   LEU   98  13.78 +/- 2.98   1.191% *  0.1683% (0.15   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD2   LEU   98  15.93 +/- 3.73   1.076% *  0.1536% (0.14   0.02   0.02) =   0.004%
          QD    PHE   55 - QD2   LEU   98  17.32 +/- 1.98   0.440% *  0.3551% (0.32   0.02   0.02) =   0.004%
          HN    LEU   67 - QD1   LEU   80  16.72 +/- 3.08   0.670% *  0.0966% (0.09   0.02   0.02) =   0.002%
          HN    LEU   67 - QD2   LEU   98  12.99 +/- 2.43   1.137% *  0.0554% (0.05   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.73, residual support = 110.6:
          HN    LYS+  81 - QG    LYS+  81   2.89 +/- 0.46  82.845% * 96.5893% (0.87   5.74 110.62) =  99.954%  kept
          HE3   TRP   27 - QG    LYS+  81  16.35 +/- 5.84   0.933% *  2.3698% (0.45   0.27   0.02) =   0.028%
          QD    PHE   60 - HG2   LYS+  33  16.88 +/- 3.49   5.800% *  0.0978% (0.25   0.02   0.02) =   0.007%
          HE3   TRP   27 - HG2   LYS+  33   8.71 +/- 1.28   4.410% *  0.0834% (0.21   0.02   0.02) =   0.005%
          QD    PHE   60 - QG    LYS+  81  16.20 +/- 3.81   1.064% *  0.2043% (0.53   0.02   0.02) =   0.003%
          QD    PHE   55 - QG    LYS+  81  18.31 +/- 3.13   0.638% *  0.1457% (0.38   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+ 106  14.37 +/- 2.20   0.987% *  0.0450% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  22.98 +/- 5.60   0.266% *  0.1613% (0.42   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+ 106  21.04 +/- 3.52   0.471% *  0.0741% (0.19   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  16.04 +/- 2.84   0.699% *  0.0383% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.38 +/- 3.79   0.310% *  0.0698% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  20.43 +/- 2.43   0.324% *  0.0526% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  17.91 +/- 2.30   0.471% *  0.0321% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  18.35 +/- 2.07   0.417% *  0.0252% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  19.67 +/- 3.20   0.365% *  0.0116% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.644, support = 0.666, residual support = 1.32:
          HN    GLU-  79 - QG    LYS+  81   6.19 +/- 1.08  59.666% * 93.2234% (0.65   0.67   1.32) =  99.493%  kept
          HN    THR   94 - QG    LYS+  81  13.19 +/- 1.85   7.544% *  1.0735% (0.25   0.02   0.02) =   0.145%  kept
          HN    VAL   70 - HG2   LYS+  33  14.18 +/- 2.94   9.250% *  0.8474% (0.20   0.02   0.02) =   0.140%  kept
          HN    VAL   70 - QG    LYS+  81  21.85 +/- 1.89   1.703% *  1.7699% (0.41   0.02   0.02) =   0.054%
          HN    THR   94 - HG2   LYS+ 106  11.66 +/- 1.24  11.631% *  0.2362% (0.05   0.02   0.02) =   0.049%
          HN    GLU-  79 - HG2   LYS+  33  20.96 +/- 3.67   1.843% *  1.3334% (0.31   0.02   0.02) =   0.044%
          HN    GLU-  79 - HG2   LYS+ 106  19.46 +/- 2.94   3.134% *  0.6128% (0.14   0.02   0.02) =   0.034%
          HN    VAL   70 - HG2   LYS+ 106  18.12 +/- 2.99   3.470% *  0.3894% (0.09   0.02   0.02) =   0.024%
          HN    THR   94 - HG2   LYS+  33  21.37 +/- 1.60   1.759% *  0.5140% (0.12   0.02   0.02) =   0.016%
    Distance limit 3.92 A violated in 14 structures by 2.22 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.76, residual support = 110.6:
      O   HN    LYS+  81 - QB    LYS+  81   2.16 +/- 0.18  85.421% * 99.1682% (0.38  10.0   5.76 110.62) =  99.993%  kept
          QD    PHE   55 - HB3   PRO   52   5.31 +/- 1.17  10.315% *  0.0263% (0.10   1.0   0.02   0.33) =   0.003%
          HE3   TRP   27 - QB    LYS+  81  16.00 +/- 5.67   0.555% *  0.2439% (0.92   1.0   0.02   0.02) =   0.002%
          HN    THR   23 - QB    LYS+  81  15.37 +/- 7.17   0.681% *  0.1086% (0.41   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    LYS+  81  18.82 +/- 2.92   0.167% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  15.63 +/- 1.32   0.253% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52   9.19 +/- 2.20   1.955% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  20.60 +/- 2.60   0.130% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  21.95 +/- 2.55   0.107% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.52 +/- 3.87   0.173% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  23.36 +/- 3.56   0.097% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  19.50 +/- 2.28   0.146% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.37, residual support = 110.6:
      O   HN    LYS+  81 - HA    LYS+  81   2.73 +/- 0.04  97.653% * 99.8291% (0.87  10.0   5.37 110.62) =  99.999%  kept
          HE3   TRP   27 - HA    LYS+  81  16.85 +/- 6.33   1.130% *  0.0516% (0.45   1.0   0.02   0.02) =   0.001%
          QD    PHE   60 - HA    LYS+  81  16.89 +/- 3.67   0.607% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.41 +/- 3.20   0.359% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  21.65 +/- 2.84   0.252% *  0.0156% (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 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.642, support = 3.39, residual support = 22.4:
          HA    LEU   80 - QG    LYS+  81   4.91 +/- 0.72  36.529% * 58.4764% (0.38   5.08  39.67) =  55.761%  kept
          HA    ASP-  78 - QG    LYS+  81   4.78 +/- 2.00  43.966% * 38.3409% (0.98   1.27   0.55) =  44.004%  kept
          HA    THR   23 - QG    LYS+  81  14.85 +/- 7.82   3.951% *  1.8524% (0.76   0.08   0.02) =   0.191%  kept
          HB    THR   23 - QG    LYS+  81  16.38 +/- 7.54   2.823% *  0.1531% (0.25   0.02   0.02) =   0.011%
          HA    PHE   45 - QG    LYS+  81  10.72 +/- 1.60   4.113% *  0.0947% (0.15   0.02   0.02) =   0.010%
          HA    THR   23 - HG2   LYS+  33  13.52 +/- 1.52   1.575% *  0.2246% (0.37   0.02   0.02) =   0.009%
          HB    THR   23 - HG2   LYS+  33  12.87 +/- 1.85   1.709% *  0.0733% (0.12   0.02   0.02) =   0.003%
          HA    ASP-  78 - HG2   LYS+  33  23.74 +/- 3.25   0.267% *  0.2881% (0.47   0.02   0.02) =   0.002%
          HA    THR   23 - HG2   LYS+ 106  21.92 +/- 4.28   0.645% *  0.1032% (0.17   0.02   0.02) =   0.002%
          HA    LEU   80 - HG2   LYS+  33  21.19 +/- 6.37   0.590% *  0.1103% (0.18   0.02   0.02) =   0.002%
          HA    ASP-  78 - HG2   LYS+ 106  20.25 +/- 2.86   0.484% *  0.1324% (0.22   0.02   0.02) =   0.002%
          HA    LEU   80 - HG2   LYS+ 106  19.94 +/- 4.06   0.668% *  0.0507% (0.08   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  22.82 +/- 4.87   0.857% *  0.0337% (0.05   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+ 106  13.82 +/- 1.69   1.342% *  0.0208% (0.03   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  19.33 +/- 2.05   0.482% *  0.0453% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.68, residual support = 34.7:
      O   HN    SER   82 - HB3   SER   82   2.55 +/- 0.43  99.805% * 99.5254% (0.41  10.0   3.68  34.66) = 100.000%  kept
          HN    SER  117 - HB3   SER   82  27.72 +/- 2.98   0.098% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB3   SER   82  28.69 +/- 6.35   0.097% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.376, support = 3.3, residual support = 14.6:
      O   HN    TRP   49 - HA    SER   48   3.48 +/- 0.05  33.664% * 84.6059% (0.40  10.0   3.25  14.44) =  84.883%  kept
          HN    VAL   83 - HB2   SER   82   3.30 +/- 0.49  40.219% * 10.2808% (0.24   1.0   4.09  18.87) =  12.323%  kept
          HN    CYS   50 - HA    SER   48   4.61 +/- 1.14  20.582% *  4.5437% (0.36   1.0   1.19   0.02) =   2.787%  kept
          HN    TRP   49 - HB2   SER   82  17.88 +/- 2.91   0.425% *  0.1541% (0.72   1.0   0.02   0.02) =   0.002%
          HE22  GLN   30 - HA    VAL   70  10.51 +/- 2.16   2.672% *  0.0239% (0.11   1.0   0.02   0.02) =   0.002%
          HN    CYS   50 - HB2   SER   82  19.30 +/- 3.19   0.328% *  0.1385% (0.65   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  14.51 +/- 2.79   1.068% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  20.44 +/- 7.15   0.333% *  0.0688% (0.32   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    SER   48  21.40 +/- 4.15   0.263% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  22.85 +/- 2.85   0.153% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  22.41 +/- 2.44   0.148% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  21.92 +/- 2.47   0.144% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.29, residual support = 34.7:
      O   HN    SER   82 - HB2   SER   82   2.90 +/- 0.55  89.815% * 99.0159% (0.39  10.0   4.29  34.66) =  99.990%  kept
          HN    GLY   16 - HA    VAL   70  10.97 +/- 6.11   7.012% *  0.0820% (0.32   1.0   0.02   0.02) =   0.006%
          HN    SER   82 - HA    SER   48  14.50 +/- 3.10   1.451% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    VAL   70  17.64 +/- 3.17   0.648% *  0.0820% (0.32   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    SER   48  21.54 +/- 2.87   0.310% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  29.12 +/- 6.45   0.162% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  27.86 +/- 2.72   0.144% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  25.59 +/- 5.21   0.219% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  23.34 +/- 2.03   0.239% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.436, support = 5.33, residual support = 40.8:
          HN    ALA   84 - HB    VAL   83   3.26 +/- 0.29  97.806% * 98.8120% (0.44   5.33  40.79) =  99.991%  kept
          HE21  GLN   32 - HB    VAL   83  22.75 +/- 8.11   0.747% *  0.6836% (0.80   0.02   0.02) =   0.005%
          HN    LYS+ 111 - HB    VAL   83  20.04 +/- 3.73   0.813% *  0.3710% (0.44   0.02   0.02) =   0.003%
          HN    ILE   56 - HB    VAL   83  19.73 +/- 3.18   0.634% *  0.1335% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 85.3:
      O   HN    VAL   83 - HB    VAL   83   2.18 +/- 0.45  98.641% * 99.8243% (0.65  10.0   4.77  85.32) =  99.999%  kept
          HN    CYS   50 - HB    VAL   83  16.10 +/- 2.64   0.614% *  0.1375% (0.90   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB    VAL   83  14.98 +/- 2.43   0.745% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   8.48 +/- 0.85  55.277% * 31.7530% (0.96   0.02   0.02) =  66.668%  kept
          HD21  ASN   28 - HA    ALA   84  17.44 +/- 7.54  15.686% * 30.7120% (0.93   0.02   0.02) =  18.298%  kept
          QE    PHE   60 - HA    ALA   84  15.84 +/- 4.33  15.638% * 16.7431% (0.51   0.02   0.02) =   9.945%  kept
          HN    ILE   56 - HA    ALA   84  17.85 +/- 2.79   8.413% *  8.8482% (0.27   0.02   0.02) =   2.827%  kept
          HN    LEU   63 - HA    ALA   84  19.66 +/- 1.79   4.986% * 11.9438% (0.36   0.02   0.02) =   2.262%  kept
    Distance limit 3.60 A violated in 20 structures by 4.62 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.363, residual support = 0.343:
          QE    PHE   45 - HA    ALA   84   6.80 +/- 2.63  78.147% * 91.7722% (0.81   0.37   0.35) =  98.772%  kept
          QD    PHE   72 - HA    ALA   84  15.38 +/- 1.64  10.711% *  5.7699% (0.93   0.02   0.02) =   0.851%  kept
          HZ    PHE   72 - HA    ALA   84  17.17 +/- 2.03  11.142% *  2.4579% (0.40   0.02   0.02) =   0.377%  kept
    Distance limit 4.17 A violated in 13 structures by 2.57 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.912, support = 1.46, residual support = 12.5:
          HB    ILE   89 - HA    ALA   84   4.05 +/- 1.61  90.469% * 98.5545% (0.91   1.46  12.53) =  99.923%  kept
          HB3   LYS+  99 - HA    ALA   84  22.93 +/- 3.92   4.409% *  0.8067% (0.55   0.02   0.02) =   0.040%
          QG1   ILE   56 - HA    ALA   84  15.76 +/- 2.40   5.122% *  0.6388% (0.43   0.02   0.02) =   0.037%
    Distance limit 3.94 A violated in 2 structures by 0.58 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.755, support = 3.27, residual support = 29.4:
          QG2   VAL   83 - HA    ALA   84   3.33 +/- 0.66  61.688% * 47.1181% (0.66   3.51  40.79) =  59.717%  kept
          QD1   ILE   89 - HA    ALA   84   4.56 +/- 1.42  37.143% * 52.7843% (0.89   2.92  12.53) =  40.280%  kept
          QD2   LEU   31 - HA    ALA   84  15.56 +/- 5.20   1.169% *  0.0975% (0.24   0.02   0.02) =   0.002%
    Distance limit 3.87 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 = 2.91, residual support = 12.5:
          HG13  ILE   89 - HA    ALA   84   5.17 +/- 2.02 100.000% *100.0000% (0.55   2.91  12.53) = 100.000%  kept
    Distance limit 3.94 A violated in 11 structures by 1.64 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.756, support = 3.77, residual support = 29.1:
          QG2   VAL   83 - QB    ALA   84   3.79 +/- 0.62  62.322% * 44.2953% (0.66  1.00   3.90  40.79) =  58.804%  kept
          QD1   ILE   89 - QB    ALA   84   5.13 +/- 1.22  35.203% * 54.8790% (0.89  1.00   3.59  12.53) =  41.153%  kept
        T QD2   LEU   31 - QB    ALA   84  13.50 +/- 4.10   2.475% *  0.8256% (0.24 10.00   0.02   0.02) =   0.044%
    Distance limit 3.95 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 = 3.62, residual support = 12.5:
          HG13  ILE   89 - QB    ALA   84   5.60 +/- 1.61 100.000% *100.0000% (0.55   3.62  12.53) = 100.000%  kept
    Distance limit 3.87 A violated in 11 structures by 1.83 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.853, support = 0.02, residual support = 0.341:
          QD    PHE   45 - QB    ALA   84   6.38 +/- 1.55  91.072% * 73.1356% (0.87   0.02   0.35) =  98.234%  kept
          HD2   HIS  122 - QB    ALA   84  20.05 +/- 2.22   4.363% * 14.2817% (0.17   0.02   0.02) =   0.919%  kept
          HE22  GLN  116 - QB    ALA   84  21.88 +/- 2.87   4.564% * 12.5826% (0.15   0.02   0.02) =   0.847%  kept
    Distance limit 4.09 A violated in 15 structures by 2.30 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.692, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  10.07 +/- 2.37  67.555% * 28.9138% (0.59   0.02   0.02) =  60.166%  kept
          HE22  GLN   30 - QB    ALA   84  17.64 +/- 3.91  22.911% * 46.0056% (0.93   0.02   0.02) =  32.468%  kept
          HD22  ASN   69 - QB    ALA   84  22.22 +/- 2.43   9.534% * 25.0806% (0.51   0.02   0.02) =   7.366%  kept
    Distance limit 4.31 A violated in 18 structures by 5.48 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   2.26 +/- 0.17  95.979% * 99.7822% (0.99  10.0   3.15  18.03) =  99.999%  kept
          HN    SER   85 - QB    SER   48  12.83 +/- 3.02   1.106% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  22.49 +/- 7.00   0.174% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  14.01 +/- 1.38   0.443% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.30 +/- 0.80   0.837% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  22.06 +/- 3.77   0.226% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  23.26 +/- 3.94   0.118% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  23.74 +/- 5.46   0.115% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.92 +/- 1.29   0.577% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  23.46 +/- 2.18   0.094% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  21.06 +/- 3.45   0.222% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.58 +/- 3.45   0.110% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   3.00 +/- 0.16  89.284% * 97.6159% (0.87   3.33  13.44) =  99.986%  kept
          HN    GLU-  29 - QB    SER   85  21.20 +/- 7.54   0.546% *  0.6629% (0.98   0.02   0.02) =   0.004%
          HN    GLN   30 - QB    SER   85  21.34 +/- 6.78   0.475% *  0.5416% (0.80   0.02   0.02) =   0.003%
          HN    ASP-  86 - QB    SER   48  14.15 +/- 2.82   1.339% *  0.1431% (0.21   0.02   0.02) =   0.002%
          HN    GLU-  29 - QB    SER  117  23.52 +/- 4.75   0.725% *  0.1023% (0.15   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    SER   48  21.70 +/- 4.61   0.361% *  0.1616% (0.24   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER  117  22.00 +/- 4.35   0.672% *  0.0836% (0.12   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER   48  21.07 +/- 4.35   0.395% *  0.1321% (0.20   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    SER  117  10.44 +/- 0.95   2.406% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  19.19 +/- 6.35   1.003% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  22.90 +/- 2.68   0.243% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  25.71 +/- 3.72   0.186% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  25.87 +/- 5.98   0.181% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  30.09 +/- 3.74   0.102% *  0.1506% (0.22   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  20.41 +/- 4.39   0.870% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  20.70 +/- 4.08   0.538% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  25.89 +/- 5.39   0.418% *  0.0232% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  25.27 +/- 4.98   0.255% *  0.0367% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.4:
      O   HN    SER  117 - QB    SER  117   2.17 +/- 0.13  98.043% * 98.5738% (0.12  10.0   2.79  15.42) =  99.998%  kept
          HN    GLY   16 - QB    SER  117  21.41 +/- 5.33   1.496% *  0.0697% (0.09   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   85  24.52 +/- 2.11   0.077% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   48  20.41 +/- 2.77   0.191% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  28.85 +/- 4.83   0.054% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  23.64 +/- 5.23   0.139% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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  98.704% * 99.8725% (0.99  10.0   3.65  18.03) = 100.000%  kept
          HN    GLN   32 - HA    SER   85  25.54 +/- 6.97   0.233% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    SER   85  14.02 +/- 1.49   0.901% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  26.73 +/- 5.42   0.163% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.55, residual support = 42.5:
      O   HN    ASP-  86 - HB3   ASP-  86   2.68 +/- 0.54  97.500% * 99.6620% (0.95  10.0   3.55  42.50) =  99.998%  kept
          HN    GLN   30 - HB3   ASP-  86  20.92 +/- 8.19   0.655% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   ASP-  86  21.12 +/- 8.80   0.651% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  19.68 +/- 5.74   0.821% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  25.34 +/- 5.68   0.278% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  31.28 +/- 4.76   0.095% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 5.02, residual support = 42.5:
      O   HN    ASP-  86 - HB2   ASP-  86   2.68 +/- 0.52  98.082% * 99.2641% (0.49  10.0   5.02  42.50) =  99.998%  kept
          HN    LYS+  99 - HB2   ASP-  86  19.54 +/- 5.85   0.513% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   ASP-  86  20.86 +/- 8.16   0.565% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  25.15 +/- 5.25   0.178% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  21.09 +/- 8.74   0.582% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  31.13 +/- 5.01   0.080% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.422, support = 3.63, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   2.96 +/- 0.37  84.170% * 36.7268% (0.38   3.60  22.70) =  79.812%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.99 +/- 0.88  12.684% * 61.5233% (0.61   3.73  22.70) =  20.148%  kept
          HN    ALA   91 - HB2   ASP-  86  11.26 +/- 0.76   1.745% *  0.5142% (0.95   0.02   0.02) =   0.023%
          HN    TRP   27 - HB2   ASP-  86  19.50 +/- 8.42   0.903% *  0.5246% (0.97   0.02   0.02) =   0.012%
          HN    ALA   61 - HB2   ASP-  86  21.70 +/- 2.46   0.268% *  0.4875% (0.90   0.02   0.02) =   0.003%
          HN    THR   39 - HB2   ASP-  86  24.62 +/- 5.19   0.230% *  0.2235% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.8:
        T HA    VAL   83 - HB2   ASP-  86   2.59 +/- 0.66  90.585% * 95.5153% (0.22 10.00   2.25  10.79) =  99.747%  kept
          HB3   SER   82 - HB2   ASP-  86   6.62 +/- 1.03   7.271% *  2.9444% (0.41  1.00   0.33   0.02) =   0.247%  kept
          HD3   PRO   52 - HB2   ASP-  86  20.09 +/- 3.02   0.472% *  0.3960% (0.92  1.00   0.02   0.02) =   0.002%
          HA    GLN   30 - HB2   ASP-  86  22.44 +/- 7.51   0.402% *  0.4140% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB2   ASP-  86  19.25 +/- 2.26   0.376% *  0.3848% (0.90  1.00   0.02   0.02) =   0.002%
          HA    GLU- 100 - HB2   ASP-  86  22.54 +/- 6.46   0.346% *  0.0849% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  24.06 +/- 3.15   0.245% *  0.1193% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  23.94 +/- 4.58   0.214% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  29.07 +/- 4.49   0.091% *  0.0751% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.73 +/- 0.02  98.646% * 99.2641% (0.49  10.0   4.16  42.50) =  99.998%  kept
          HN    LYS+  99 - HA    ASP-  86  21.49 +/- 5.93   0.364% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  22.91 +/- 8.20   0.374% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  27.40 +/- 5.28   0.142% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  33.36 +/- 4.54   0.064% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  22.94 +/- 8.93   0.410% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.53, residual support = 74.4:
          HE3   TRP   87 - HA    TRP   87   3.56 +/- 0.18  90.745% * 98.5700% (0.99   3.53  74.43) =  99.952%  kept
          HN    ALA   91 - HA    TRP   87   9.78 +/- 1.32   7.998% *  0.4885% (0.87   0.02   0.02) =   0.044%
          HN    ALA   61 - HA    TRP   87  22.07 +/- 1.92   0.412% *  0.5199% (0.92   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    TRP   87  22.44 +/- 7.03   0.661% *  0.2963% (0.53   0.02   5.62) =   0.002%
          HN    GLN   17 - HA    TRP   87  30.39 +/- 5.73   0.183% *  0.1254% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.22, residual support = 74.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.38 +/- 0.03  97.445% * 99.7445% (0.99  10.0   3.22  74.43) =  99.998%  kept
          HN    ALA   91 - HB2   TRP   87   9.15 +/- 1.22   2.078% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB2   TRP   87  20.20 +/- 1.96   0.176% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  21.65 +/- 6.59   0.230% *  0.0529% (0.53   1.0   0.02   5.62) =   0.000%
          HN    GLN   17 - HB2   TRP   87  28.95 +/- 5.74   0.071% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 3.22, residual support = 74.4:
      O   HE3   TRP   87 - HB3   TRP   87   3.92 +/- 0.07  85.827% * 99.7445% (0.99  10.0   3.22  74.43) =  99.986%  kept
          HN    ALA   91 - HB3   TRP   87   7.87 +/- 0.90  12.096% *  0.0873% (0.87   1.0   0.02   0.02) =   0.012%
          HN    ALA   61 - HB3   TRP   87  19.34 +/- 1.88   0.783% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   TRP   87  20.83 +/- 6.40   1.000% *  0.0529% (0.53   1.0   0.02   5.62) =   0.001%
          HN    GLN   17 - HB3   TRP   87  28.22 +/- 5.53   0.294% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.58 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.915, support = 2.25, residual support = 17.7:
          QD1   ILE   89 - HB2   TRP   87   3.64 +/- 0.53  74.319% * 59.9965% (0.90   2.42  17.91) =  82.457%  kept
          QG2   VAL   83 - HB2   TRP   87   5.71 +/- 0.53  23.937% * 39.6023% (1.00   1.43  16.94) =  17.530%  kept
          QD2   LEU   31 - HB2   TRP   87  16.46 +/- 5.79   1.744% *  0.4013% (0.73   0.02   1.70) =   0.013%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.445, support = 3.88, residual support = 17.9:
        T QD1   ILE   89 - HB3   TRP   87   2.89 +/- 0.70  70.447% * 95.4190% (0.45 10.00   3.92  17.91) =  98.354%  kept
          QG2   VAL   83 - HB3   TRP   87   4.71 +/- 0.56  25.029% *  4.4845% (0.22  1.00   1.89  16.94) =   1.642%  kept
          QG2   VAL   75 - HB3   TRP   87  10.39 +/- 3.05   3.002% *  0.0592% (0.28  1.00   0.02   0.02) =   0.003%
          QG2   VAL   42 - HB3   TRP   87  14.09 +/- 2.76   1.522% *  0.0373% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.24, support = 0.726, residual support = 17.3:
          HG12  ILE   89 - HB3   TRP   87   3.75 +/- 1.06  73.002% * 54.8868% (0.22   0.75  17.91) =  96.696%  kept
          QB    ALA   91 - HB3   TRP   87   8.34 +/- 1.29  18.241% *  5.7027% (0.87   0.02   0.02) =   2.510%  kept
          QG2   ILE   56 - HB3   TRP   87  13.93 +/- 2.53   2.551% *  2.7027% (0.41   0.02   0.02) =   0.166%  kept
          HG2   LYS+  74 - HB3   TRP   87  16.95 +/- 2.48   1.044% *  5.8960% (0.90   0.02   0.02) =   0.149%  kept
          HG    LEU   71 - HB3   TRP   87  23.20 +/- 4.18   0.865% *  5.7027% (0.87   0.02   0.02) =   0.119%  kept
          QG2   THR   39 - HB3   TRP   87  20.47 +/- 3.50   0.687% *  5.7027% (0.87   0.02   0.02) =   0.095%
          HG3   LYS+  99 - HB3   TRP   87  23.07 +/- 4.69   0.632% *  6.0688% (0.92   0.02   0.02) =   0.093%
          HG13  ILE   19 - HB3   TRP   87  24.83 +/- 5.26   0.436% *  6.5596% (1.00   0.02   0.02) =   0.069%
          QB    ALA   34 - HB3   TRP   87  18.69 +/- 4.23   1.145% *  1.6393% (0.25   0.02   0.02) =   0.045%
          HG3   LYS+ 111 - HB3   TRP   87  17.23 +/- 3.33   1.110% *  1.1513% (0.18   0.02   0.02) =   0.031%
          HG3   LYS+  38 - HB3   TRP   87  27.74 +/- 4.29   0.286% *  3.9875% (0.61   0.02   0.02) =   0.028%
    Distance limit 4.00 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.1:
      O   HN    ALA   88 - HA    ALA   88   2.26 +/- 0.14  99.319% * 99.0353% (0.38  10.0   1.63  12.12) =  99.998%  kept
          HN    PHE   55 - HA    ALA   88  20.20 +/- 2.72   0.186% *  0.2804% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ALA   88  24.36 +/- 6.25   0.156% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  19.24 +/- 2.48   0.231% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  23.36 +/- 1.81   0.107% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.09, residual support = 12.1:
      O   HN    ALA   88 - QB    ALA   88   2.81 +/- 0.20  98.283% * 99.2112% (0.38  10.0   2.09  12.12) =  99.997%  kept
          HN    PHE   55 - QB    ALA   88  17.18 +/- 2.33   0.511% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    ALA   88  21.19 +/- 5.29   0.360% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   88  16.54 +/- 2.13   0.562% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - QB    ALA   88  20.10 +/- 1.58   0.284% *  0.2117% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 216.9:
          QD1   ILE   89 - HA    ILE   89   3.33 +/- 0.68  86.860% * 99.6619% (0.92   5.98 217.01) =  99.964%  kept
          QG2   VAL   83 - HA    ILE   89   6.96 +/- 0.80  12.241% *  0.2481% (0.69   0.02   0.02) =   0.035%
          QD2   LEU   31 - HA    ILE   89  18.02 +/- 4.08   0.899% *  0.0901% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 40.6:
      O   HN    GLN   90 - HA    ILE   89   2.67 +/- 0.51  96.054% * 99.8365% (0.99  10.0   6.44  40.57) =  99.998%  kept
          HN    SER   82 - HA    ILE   89  11.51 +/- 0.72   1.581% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HA    ILE   89  12.29 +/- 3.64   1.951% *  0.0280% (0.28   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA    ILE   89  20.15 +/- 4.34   0.414% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 217.0:
      O   HN    ILE   89 - HA    ILE   89   2.78 +/- 0.11  99.208% * 99.6601% (0.76  10.0   6.00 217.01) =  99.999%  kept
          HN    ILE  119 - HA    ILE   89  21.43 +/- 2.77   0.276% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    ILE   89  21.93 +/- 4.95   0.285% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  29.50 +/- 3.40   0.093% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  26.90 +/- 4.24   0.137% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.91, support = 2.38, residual support = 8.43:
          HN    ALA   91 - HA    ILE   89   4.20 +/- 0.52  65.933% * 78.3107% (0.95   2.48   7.75) =  93.299%  kept
          HD1   TRP   87 - HA    ILE   89   6.46 +/- 0.66  21.817% * 13.9689% (0.38   1.12  17.91) =   5.507%  kept
          HE3   TRP   87 - HA    ILE   89   8.01 +/- 0.77  10.488% *  6.2057% (0.61   0.31  17.91) =   1.176%  kept
          HN    ALA   61 - HA    ILE   89  19.30 +/- 1.54   0.797% *  0.5976% (0.90   0.02   0.02) =   0.009%
          HN    TRP   27 - HA    ILE   89  22.48 +/- 5.11   0.682% *  0.6431% (0.97   0.02   0.02) =   0.008%
          HN    THR   39 - HA    ILE   89  27.66 +/- 3.13   0.284% *  0.2740% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.738, support = 5.29, residual support = 216.0:
      O T QD1   ILE   89 - HB    ILE   89   2.59 +/- 0.36  69.012% * 97.6750% (0.74  10.0 10.00   5.31 217.01) =  99.541%  kept
          QG2   VAL   83 - HB    ILE   89   5.37 +/- 1.48  14.970% *  2.0119% (0.55   1.0  1.00   0.55   0.02) =   0.445%  kept
        T QD1   ILE   89 - HB    VAL   43   9.23 +/- 2.64   2.821% *  0.2133% (0.16   1.0 10.00   0.02   0.02) =   0.009%
        T QD2   LEU   31 - HB    VAL   43   8.59 +/- 2.88   3.902% *  0.0576% (0.04   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - HB    VAL   43   7.89 +/- 3.03   8.803% *  0.0159% (0.12   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HB    ILE   89  16.73 +/- 4.55   0.493% *  0.0264% (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 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 217.0:
      O T HG13  ILE   89 - HB    ILE   89   2.66 +/- 0.34  98.418% * 99.7821% (0.78  10.0 10.00   4.97 217.01) =  99.996%  kept
        T HG13  ILE   89 - HB    VAL   43  12.27 +/- 2.67   1.582% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 217.0:
      O   HN    ILE   89 - HB    ILE   89   2.62 +/- 0.62  92.788% * 99.5645% (0.61  10.0   5.57 217.01) =  99.998%  kept
          HN    CYS   21 - HB    VAL   43  12.38 +/- 4.05   2.605% *  0.0255% (0.16   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    ILE   89  20.71 +/- 5.68   0.367% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  13.21 +/- 3.12   1.456% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  20.62 +/- 2.81   0.249% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.26 +/- 1.40   0.891% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.74 +/- 1.20   0.534% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  27.76 +/- 3.77   0.101% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  15.02 +/- 2.38   0.858% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  25.31 +/- 4.79   0.151% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89  11.72 +/- 2.19 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.62 A violated in 20 structures by 8.10 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 1.05, residual support = 17.9:
          HD1   TRP   87 - QG2   ILE   89   4.31 +/- 0.27  94.173% * 94.3001% (0.95   1.05  17.91) =  99.919%  kept
          HN    LYS+ 102 - QG2   ILE   89  18.19 +/- 3.19   1.716% *  1.5159% (0.80   0.02   0.02) =   0.029%
          HN    THR   39 - QG2   ILE   89  21.22 +/- 2.74   0.940% *  1.7475% (0.92   0.02   0.02) =   0.018%
          HN    TRP   27 - QG2   ILE   89  17.09 +/- 4.30   2.415% *  0.6457% (0.34   0.02   0.02) =   0.018%
          HN    GLU-  36 - QG2   ILE   89  22.99 +/- 3.13   0.756% *  1.7908% (0.95   0.02   0.02) =   0.015%
    Distance limit 3.67 A violated in 0 structures by 0.64 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.3, residual support = 40.6:
          HN    GLN   90 - QG2   ILE   89   3.41 +/- 0.49  90.853% * 99.1952% (0.61   7.30  40.57) =  99.967%  kept
          HN    SER   82 - QG2   ILE   89   8.70 +/- 0.62   6.375% *  0.4134% (0.92   0.02   0.02) =   0.029%
          HN    ILE  103 - QG2   ILE   89  15.48 +/- 3.38   1.339% *  0.1841% (0.41   0.02   0.02) =   0.003%
          HN    SER  117 - QG2   ILE   89  16.11 +/- 2.26   1.049% *  0.0691% (0.15   0.02   0.02) =   0.001%
          HN    GLY   16 - QG2   ILE   89  23.46 +/- 4.00   0.384% *  0.1382% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.964, support = 0.749, residual support = 10.6:
        T HB2   PHE   45 - QG2   ILE   89   5.40 +/- 2.90  75.566% * 99.5807% (0.97 10.00   0.75  10.62) =  99.922%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.24 +/- 2.80  17.921% *  0.2745% (1.00  1.00   0.02   0.02) =   0.065%
          HB2   CYS   21 - QG2   ILE   89  15.99 +/- 4.11   6.512% *  0.1448% (0.53  1.00   0.02   0.02) =   0.013%
    Distance limit 4.08 A violated in 6 structures by 1.73 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.261, support = 4.94, residual support = 32.2:
          QG    GLN   90 - QG2   ILE   89   4.94 +/- 0.58  33.867% * 68.9302% (0.15   6.15  40.57) =  79.410%  kept
          HG2   MET   92 - QG2   ILE   89   4.93 +/- 2.30  42.788% * 12.4761% (0.73   0.24   0.02) =  18.159%  kept
          HB2   ASP-  44 - QG2   ILE   89  10.40 +/- 2.57   4.624% * 13.0485% (0.28   0.65   0.02) =   2.053%  kept
          HB2   GLU-  79 - QG2   ILE   89   9.43 +/- 1.89   6.351% *  0.8219% (0.57   0.02   0.02) =   0.178%  kept
          HG2   PRO   52 - QG2   ILE   89   9.87 +/- 3.09   7.563% *  0.3232% (0.22   0.02   0.02) =   0.083%
          QG    GLU- 114 - QG2   ILE   89  12.06 +/- 2.72   2.394% *  0.9391% (0.65   0.02   0.02) =   0.076%
          HB3   PHE   72 - QG2   ILE   89  15.19 +/- 2.21   1.152% *  0.2873% (0.20   0.02   0.02) =   0.011%
          HG3   GLU-  36 - QG2   ILE   89  25.08 +/- 3.07   0.247% *  1.0542% (0.73   0.02   0.02) =   0.009%
          QB    MET   11 - QG2   ILE   89  26.75 +/- 3.06   0.201% *  1.2126% (0.84   0.02   0.02) =   0.008%
          QG    GLU-  15 - QG2   ILE   89  22.18 +/- 3.52   0.378% *  0.5449% (0.38   0.02   0.02) =   0.007%
          QG    GLU-  14 - QG2   ILE   89  21.72 +/- 3.24   0.435% *  0.3620% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.71 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.512, support = 0.726, residual support = 10.1:
        T HB3   PHE   45 - QG2   ILE   89   5.28 +/- 2.60  49.555% * 91.3185% (0.49 10.00   0.75  10.62) =  94.882%  kept
          HB3   ASP-  86 - QG2   ILE   89   6.64 +/- 1.21  33.246% *  7.2373% (1.00  1.00   0.29   0.02) =   5.045%  kept
          QE    LYS+ 112 - QG2   ILE   89  11.79 +/- 3.25   5.061% *  0.2435% (0.49  1.00   0.02   0.02) =   0.026%
          HG3   MET   96 - QG2   ILE   89  10.83 +/- 2.87   5.171% *  0.1707% (0.34  1.00   0.02   0.02) =   0.019%
          HB3   ASP-  62 - QG2   ILE   89  15.56 +/- 3.10   1.886% *  0.3823% (0.76  1.00   0.02   0.02) =   0.015%
          HB    VAL  107 - QG2   ILE   89  11.19 +/- 2.03   4.173% *  0.0772% (0.15  1.00   0.02   0.02) =   0.007%
          HG2   GLU-  29 - QG2   ILE   89  21.29 +/- 4.12   0.613% *  0.4828% (0.97  1.00   0.02   0.02) =   0.006%
          HG2   GLU-  36 - QG2   ILE   89  25.28 +/- 3.24   0.295% *  0.0876% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.45 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.41, support = 3.41, residual support = 10.3:
          QB    ALA   88 - QG2   ILE   89   4.99 +/- 0.60  28.496% * 43.2256% (0.31   5.18   9.71) =  48.199%  kept
          QB    ALA   84 - QG2   ILE   89   3.94 +/- 0.81  46.258% * 24.8363% (0.49   1.89  12.53) =  44.956%  kept
          HB3   PRO   93 - QG2   ILE   89   7.88 +/- 1.45   7.669% * 13.1860% (0.45   1.09   0.02) =   3.957%  kept
          HB3   ASP-  44 - QG2   ILE   89  10.02 +/- 2.26   4.444% * 15.1631% (0.87   0.65   0.02) =   2.636%  kept
          HB3   LEU   80 - QG2   ILE   89   8.15 +/- 1.21   6.412% *  0.5360% (0.99   0.02   0.02) =   0.134%  kept
          HG2   LYS+ 111 - QG2   ILE   89  13.53 +/- 2.69   1.423% *  0.5219% (0.97   0.02   0.02) =   0.029%
          HB2   LEU   63 - QG2   ILE   89  14.76 +/- 2.82   1.297% *  0.5115% (0.95   0.02   0.02) =   0.026%
          HG    LEU   98 - QG2   ILE   89  14.60 +/- 3.75   1.538% *  0.3280% (0.61   0.02   0.02) =   0.020%
          HB2   LEU   31 - QG2   ILE   89  17.94 +/- 4.23   0.873% *  0.5360% (0.99   0.02   0.02) =   0.018%
          QB    ALA  124 - QG2   ILE   89  20.89 +/- 3.04   0.910% *  0.3927% (0.73   0.02   0.02) =   0.014%
          HG2   LYS+  99 - QG2   ILE   89  19.90 +/- 2.85   0.431% *  0.4133% (0.76   0.02   0.02) =   0.007%
          HG2   LYS+  38 - QG2   ILE   89  23.68 +/- 2.81   0.250% *  0.3498% (0.65   0.02   0.02) =   0.003%
    Distance limit 3.48 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.86, residual support = 217.0:
      O T HG13  ILE   89 - QG2   ILE   89   2.69 +/- 0.37 100.000% *100.0000% (0.98  10.0 10.00   5.86 217.01) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.917, support = 6.31, residual support = 210.9:
        T QD1   ILE   89 - QG2   ILE   89   2.07 +/- 0.48  82.414% * 87.6192% (0.92 10.00   6.49 217.01) =  97.205%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.34 +/- 0.79  16.804% * 12.3571% (0.69 10.00   0.38   0.02) =   2.795%  kept
          QD2   LEU   31 - QG2   ILE   89  13.56 +/- 3.39   0.782% *  0.0237% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.63, residual support = 217.0:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.01  85.731% * 99.4549% (0.92  10.0 10.00   5.63 217.01) =  99.993%  kept
          QG2   VAL   83 - HG12  ILE   89   6.15 +/- 1.38   6.391% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          QD2   LEU   31 - HG3   LYS+  99  10.61 +/- 3.15   7.151% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HG3   LYS+  99  19.09 +/- 3.08   0.162% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG3   LYS+  99  17.88 +/- 4.11   0.291% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  17.11 +/- 4.14   0.275% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 217.0:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.953% * 99.5961% (0.98  10.0 10.00   5.17 217.01) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  24.26 +/- 3.25   0.047% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 5.23, residual support = 215.3:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.01  87.999% * 94.1501% (0.90  10.0 10.00   5.26 217.01) =  99.191%  kept
          QG2   VAL   83 - HG13  ILE   89   6.26 +/- 1.70  11.693% *  5.7736% (1.00   1.0  1.00   1.10   0.02) =   0.808%  kept
          QD2   LEU   31 - HG13  ILE   89  17.11 +/- 3.96   0.308% *  0.0762% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.85, residual support = 216.8:
      O T QG2   ILE   89 - HG13  ILE   89   2.69 +/- 0.37  85.547% * 99.3718% (0.84  10.0 10.00   5.86 217.01) =  99.893%  kept
          QG1   VAL   83 - HG13  ILE   89   7.87 +/- 2.11  14.453% *  0.6282% (0.22   1.0  1.00   0.47   0.02) =   0.107%  kept
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 217.0:
      O T HB    ILE   89 - HG13  ILE   89   2.66 +/- 0.34  96.392% * 98.8208% (0.49  10.0 10.00   4.97 217.01) =  99.982%  kept
        T HB    VAL   43 - HG13  ILE   89  12.27 +/- 2.67   1.550% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.016%
          QD    LYS+  81 - HG13  ILE   89  10.96 +/- 1.44   1.639% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HG13  ILE   89  22.28 +/- 3.07   0.215% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  22.72 +/- 3.03   0.205% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 217.0:
          HN    ILE   89 - HG13  ILE   89   3.70 +/- 0.74  97.282% * 98.7795% (0.76   5.52 217.01) =  99.990%  kept
          HN    ILE  119 - HG13  ILE   89  20.05 +/- 3.33   1.205% *  0.4429% (0.95   0.02   0.02) =   0.006%
          HN    CYS   21 - HG13  ILE   89  20.86 +/- 5.03   0.823% *  0.4199% (0.90   0.02   0.02) =   0.004%
          HN    SER   37 - HG13  ILE   89  28.09 +/- 3.18   0.284% *  0.2651% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  25.69 +/- 4.02   0.405% *  0.0927% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.78, residual support = 217.0:
          HN    ILE   89 - HG12  ILE   89   2.99 +/- 0.58  84.671% * 98.2317% (0.76   5.78 217.01) =  99.979%  kept
          HN    SER   37 - HG3   LYS+  99   9.94 +/- 2.55   8.976% *  0.1022% (0.23   0.02   0.02) =   0.011%
          HN    ILE  119 - HG12  ILE   89  20.35 +/- 3.20   0.469% *  0.4209% (0.95   0.02   0.02) =   0.002%
          HN    CYS   21 - HG12  ILE   89  21.13 +/- 5.19   0.395% *  0.3991% (0.90   0.02   0.02) =   0.002%
          HN    ILE  119 - HG3   LYS+  99  16.45 +/- 3.81   0.800% *  0.1707% (0.38   0.02   0.02) =   0.002%
          HN    LYS+  33 - HG3   LYS+  99  12.51 +/- 3.03   3.587% *  0.0357% (0.08   0.02   0.02) =   0.002%
          HN    CYS   21 - HG3   LYS+  99  18.50 +/- 3.27   0.559% *  0.1618% (0.36   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE   89  28.12 +/- 3.26   0.138% *  0.2519% (0.57   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.10 +/- 3.95   0.205% *  0.1379% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  25.73 +/- 4.23   0.199% *  0.0881% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.26, residual support = 217.0:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.26 217.01) = 100.000%  kept
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.832, support = 6.45, residual support = 215.8:
        T QG2   ILE   89 - QD1   ILE   89   2.07 +/- 0.48  88.111% * 95.8794% (0.84 10.00   6.49 217.01) =  99.423%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.16 +/- 1.50  11.889% *  4.1206% (0.22 10.00   0.32   0.02) =   0.577%  kept
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.63, residual support = 217.0:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.01  96.904% * 99.2664% (1.00  10.0 10.00   5.63 217.01) =  99.998%  kept
          HG3   LYS+ 111 - QD1   ILE   89  12.56 +/- 3.09   0.865% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD1   ILE   89  19.09 +/- 3.08   0.182% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   89  13.23 +/- 2.29   0.545% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  13.11 +/- 3.20   0.941% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  18.90 +/- 3.04   0.199% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  18.35 +/- 3.07   0.213% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  20.13 +/- 3.52   0.151% *  0.0277% (0.28   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 2983 (1.75, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 216.9:
      O T HB    ILE   89 - QD1   ILE   89   2.59 +/- 0.36  92.316% * 98.8208% (0.49  10.0 10.00   5.31 217.01) =  99.954%  kept
        T HB    VAL   43 - QD1   ILE   89   9.23 +/- 2.64   3.930% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.043%
          QD    LYS+  81 - QD1   ILE   89   9.68 +/- 1.31   2.918% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QD1   ILE   89  17.43 +/- 2.89   0.441% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  17.80 +/- 2.87   0.395% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 50.60 ppm):
    6 chemical-shift based assignments, quality = 0.553, support = 0.02, residual support = 0.02:
        T HB3   MET   96 - QD1   ILE   89   8.72 +/- 3.12  49.449% * 63.9859% (0.53 10.00   0.02   0.02) =  88.478%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.27 +/- 2.16  22.297% * 10.5495% (0.87  1.00   0.02   0.02) =   6.578%  kept
          HB    VAL   18 - QD1   ILE   89  19.57 +/- 5.60   8.021% *  7.3765% (0.61  1.00   0.02   0.02) =   1.654%  kept
          HB2   LEU   40 - QD1   ILE   89  18.12 +/- 2.90   5.423% * 10.9071% (0.90  1.00   0.02   0.02) =   1.654%  kept
          HB2   LEU   67 - QD1   ILE   89  16.81 +/- 2.54  12.192% *  4.1485% (0.34  1.00   0.02   0.02) =   1.414%  kept
          HB3   GLU-  14 - QD1   ILE   89  25.09 +/- 3.40   2.618% *  3.0326% (0.25  1.00   0.02   0.02) =   0.222%  kept
    Distance limit 3.64 A violated in 19 structures by 4.32 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.92, residual support = 17.9:
        T HB3   TRP   87 - QD1   ILE   89   2.89 +/- 0.70  91.441% * 99.8369% (0.76 10.00   3.92  17.91) =  99.996%  kept
          HG3   GLN  116 - QD1   ILE   89  16.47 +/- 3.15   2.191% *  0.1091% (0.84  1.00   0.02   0.02) =   0.003%
          HG3   MET   96 - QD1   ILE   89   9.98 +/- 3.20   6.168% *  0.0177% (0.14  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QD1   ILE   89  24.95 +/- 3.39   0.200% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2986 (3.90, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.486, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  13.72 +/- 2.61  51.967% * 62.4025% (0.57   0.02   0.02) =  64.231%  kept
          HB    THR  118 - QD1   ILE   89  14.07 +/- 2.43  48.033% * 37.5975% (0.34   0.02   0.02) =  35.769%  kept
    Distance limit 3.00 A violated in 20 structures by 9.07 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 2.63, residual support = 10.6:
          QD    PHE   45 - QD1   ILE   89   4.62 +/- 2.59  88.147% * 96.2393% (0.45   2.64  10.62) =  99.807%  kept
          HD2   HIS  122 - QD1   ILE   89  16.95 +/- 2.52   5.052% *  1.6119% (0.99   0.02   0.02) =   0.096%
          HE22  GLN  116 - QD1   ILE   89  18.11 +/- 3.23   4.300% *  1.5941% (0.98   0.02   0.02) =   0.081%
          HE22  GLN   17 - QD1   ILE   89  23.75 +/- 4.29   2.501% *  0.5547% (0.34   0.02   0.02) =   0.016%
    Distance limit 3.93 A violated in 7 structures by 1.42 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.851, support = 2.35, residual support = 17.9:
          HN    TRP   87 - QD1   ILE   89   4.69 +/- 0.98  53.899% * 79.5957% (0.97   2.42  17.91) =  83.373%  kept
          HE3   TRP   87 - QD1   ILE   89   5.15 +/- 0.54  44.799% * 19.0782% (0.28   2.01  17.91) =  16.610%  kept
          HD21  ASN   69 - QD1   ILE   89  20.78 +/- 2.61   0.708% *  0.6446% (0.95   0.02   0.02) =   0.009%
          HN    GLN   17 - QD1   ILE   89  22.82 +/- 4.06   0.594% *  0.6815% (1.00   0.02   0.02) =   0.008%
    Distance limit 4.00 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 217.0:
          HN    ILE   89 - QD1   ILE   89   3.23 +/- 0.87  95.722% * 98.8552% (0.76   5.89 217.01) =  99.985%  kept
          HN    ILE  119 - QD1   ILE   89  15.90 +/- 2.57   1.644% *  0.4154% (0.95   0.02   0.02) =   0.007%
          HN    CYS   21 - QD1   ILE   89  16.91 +/- 4.21   1.482% *  0.3939% (0.90   0.02   0.02) =   0.006%
          HN    SER   37 - QD1   ILE   89  22.44 +/- 3.10   0.490% *  0.2486% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - QD1   ILE   89  20.54 +/- 3.62   0.663% *  0.0869% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 6.03, residual support = 94.7:
          HN    GLN   90 - QG    GLN   90   3.11 +/- 0.93  97.672% * 99.2726% (0.69   6.03  94.70) =  99.992%  kept
          HN    GLY  109 - QG    GLN   90  14.26 +/- 3.15   1.706% *  0.3294% (0.69   0.02   0.02) =   0.006%
          HN    ILE  103 - QG    GLN   90  20.92 +/- 3.04   0.622% *  0.3979% (0.83   0.02   0.02) =   0.003%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 94.7:
      O   HN    GLN   90 - HB3   GLN   90   3.10 +/- 0.43  96.421% * 99.8365% (0.83  10.0   5.59  94.70) =  99.998%  kept
          HN    SER   82 - HB3   GLN   90  11.92 +/- 1.66   2.123% *  0.0452% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HB3   GLN   90  15.04 +/- 3.09   1.154% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  23.66 +/- 3.11   0.302% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 4.14, residual support = 56.6:
      O   HN    GLU-  79 - HB3   GLU-  79   2.66 +/- 0.56  87.734% * 98.3257% (0.16  10.0   4.14  56.61) =  99.958%  kept
          HN    SER   85 - HB2   GLN   90   8.18 +/- 1.52   4.845% *  0.3734% (0.61   1.0   0.02   0.02) =   0.021%
          HN    SER   85 - HB3   GLU-  79  10.73 +/- 0.87   2.608% *  0.2703% (0.44   1.0   0.02   0.02) =   0.008%
          HN    THR   94 - HB2   GLN   90  12.01 +/- 0.89   1.411% *  0.3357% (0.55   1.0   0.02   0.02) =   0.005%
          HN    THR   94 - HB3   GLU-  79  12.82 +/- 1.87   1.310% *  0.2429% (0.40   1.0   0.02   0.02) =   0.004%
          HN    GLU-  79 - HB2   GLN   90  12.21 +/- 1.97   1.526% *  0.1359% (0.22   1.0   0.02   0.02) =   0.002%
          HN    GLN   32 - HB3   GLU-  79  19.37 +/- 5.03   0.453% *  0.1327% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  27.91 +/- 4.17   0.113% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.39, residual support = 56.5:
      O T HA    GLU-  79 - HB3   GLU-  79   2.69 +/- 0.19  79.730% * 94.7354% (0.57  10.0 10.00   4.40  56.61) =  99.846%  kept
          HB    THR   77 - HB3   GLU-  79   7.80 +/- 0.56   3.456% *  2.5848% (0.46   1.0  1.00   0.67   0.02) =   0.118%  kept
        T HA    GLU-  79 - HB2   GLN   90  13.55 +/- 2.21   0.866% *  1.3090% (0.78   1.0 10.00   0.02   0.02) =   0.015%
          HA    SER   85 - HB2   GLN   90   7.12 +/- 1.32   6.699% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.009%
          HB    THR   77 - HB2   GLN   90   8.71 +/- 2.57   4.110% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.006%
          HA1   GLY   51 - HB2   GLN   90  14.17 +/- 3.88   0.993% *  0.1158% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB3   GLU-  79  12.17 +/- 1.55   0.986% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  13.22 +/- 0.92   0.795% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  15.33 +/- 1.36   0.477% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   GLU-  79  18.87 +/- 3.36   0.353% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.78 +/- 2.42   0.324% *  0.0838% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.84 +/- 4.28   0.296% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  18.46 +/- 4.78   0.385% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  22.85 +/- 2.92   0.152% *  0.1198% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.92 +/- 2.34   0.166% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.91 +/- 2.06   0.063% *  0.1263% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.96 +/- 6.85   0.118% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.74 +/- 3.68   0.030% *  0.0917% (0.55   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 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.622, support = 0.819, residual support = 0.772:
          QB    ALA   88 - QG    GLN   90   5.61 +/- 1.29  56.017% * 93.6713% (0.62   0.84   0.79) =  97.561%  kept
          QG2   THR   77 - QG    GLN   90   6.81 +/- 1.37  39.580% *  3.1878% (0.88   0.02   0.02) =   2.346%  kept
          QG2   THR   23 - QG    GLN   90  17.63 +/- 3.90   3.128% *  1.2206% (0.34   0.02   0.02) =   0.071%
          HG2   LYS+  99 - QG    GLN   90  25.80 +/- 2.28   0.790% *  0.8109% (0.22   0.02   0.02) =   0.012%
          HG2   LYS+  38 - QG    GLN   90  29.41 +/- 2.00   0.486% *  1.1094% (0.31   0.02   0.02) =   0.010%
    Distance limit 3.56 A violated in 12 structures by 1.56 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.559, support = 0.0259, residual support = 0.02:
          QG    LYS+  81 - QG    GLN   90   6.93 +/- 2.26  52.863% *  3.0757% (0.18   0.02   0.02) =  24.507%  kept
          QD    LYS+  66 - QG    GLN   90  20.57 +/- 5.10  12.611% *  8.7992% (0.51   0.02   0.02) =  16.725%  kept
          HB3   LYS+ 111 - QG    GLN   90  17.61 +/- 2.38   7.075% * 15.5420% (0.90   0.02   0.02) =  16.575%  kept
          HD3   LYS+  74 - QG    GLN   90  15.68 +/- 2.65   7.077% * 15.5075% (0.89   0.02   0.02) =  16.543%  kept
          HG2   LYS+  65 - QG    GLN   90  20.33 +/- 4.62   3.868% * 13.1836% (0.16   0.10   0.02) =   7.685%  kept
          HG    LEU  104 - QG    GLN   90  23.15 +/- 1.67   2.681% * 15.2343% (0.88   0.02   0.02) =   6.156%  kept
          HB3   LYS+ 121 - QG    GLN   90  23.81 +/- 2.78   2.601% * 15.2343% (0.88   0.02   0.02) =   5.972%  kept
          HG2   LYS+ 106 - QG    GLN   90  18.15 +/- 2.24   6.912% *  2.3981% (0.14   0.02   0.02) =   2.498%  kept
          HG2   LYS+  33 - QG    GLN   90  25.64 +/- 2.89   1.761% *  7.5651% (0.44   0.02   0.02) =   2.008%  kept
          HD2   LYS+ 121 - QG    GLN   90  23.80 +/- 2.59   2.551% *  3.4602% (0.20   0.02   0.02) =   1.331%  kept
    Distance limit 3.80 A violated in 11 structures by 2.83 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.729, support = 2.87, residual support = 60.7:
      O   HG3   MET   92 - HB2   MET   92   2.87 +/- 0.23  84.352% * 75.1127% (0.73  10.0  1.00   2.96  62.93) =  96.413%  kept
        T QG    GLN   90 - HB2   MET   92   7.42 +/- 1.46  10.220% * 23.0022% (0.80   1.0 10.00   0.56   0.22) =   3.577%  kept
          HG12  ILE  119 - HB2   MET   92  16.74 +/- 2.77   1.851% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   ASP- 105 - HB2   MET   92  16.70 +/- 1.08   0.463% *  0.3528% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  26.80 +/- 2.97   0.120% *  0.6692% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   MET   92  12.27 +/- 1.22   1.212% *  0.0627% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   MET   92  27.01 +/- 3.38   0.116% *  0.5035% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  18.60 +/- 1.29   0.339% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  13.61 +/- 2.38   1.096% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.63 +/- 2.56   0.122% *  0.0864% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  26.90 +/- 1.45   0.110% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 62.9:
      O   HN    MET   92 - HB2   MET   92   2.99 +/- 0.47  90.923% * 99.7272% (0.92  10.0   3.94  62.93) =  99.991%  kept
          HN    THR   46 - HB2   MET   92   8.76 +/- 1.55   6.380% *  0.1078% (1.00   1.0   0.02   0.02) =   0.008%
          HN    LYS+ 112 - HB2   MET   92  12.05 +/- 2.01   2.030% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB2   MET   92  16.86 +/- 1.57   0.609% *  0.0865% (0.80   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   MET   92  37.57 +/- 3.04   0.059% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 62.9:
      O T HA    MET   92 - HB2   MET   92   2.73 +/- 0.30  99.348% * 99.8006% (0.61  10.0 10.00   3.87  62.93) =  99.999%  kept
          HA    HIS  122 - HB2   MET   92  22.67 +/- 3.23   0.329% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  19.58 +/- 1.29   0.323% *  0.0676% (0.41   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 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 62.9:
      O   HG3   MET   92 - HB3   MET   92   2.59 +/- 0.20  91.947% * 96.3963% (0.73  10.0   3.29  62.93) =  99.872%  kept
          QG    GLN   90 - HB3   MET   92   8.39 +/- 1.15   3.720% *  2.9464% (0.80   1.0   0.55   0.22) =   0.124%  kept
          HG12  ILE  119 - HB3   MET   92  15.71 +/- 2.53   1.290% *  0.1325% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB3   MET   92  11.57 +/- 0.99   1.139% *  0.0805% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  17.91 +/- 1.29   0.309% *  0.0964% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.73 +/- 1.11   0.463% *  0.0453% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  13.66 +/- 1.90   0.747% *  0.0232% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  26.38 +/- 2.22   0.098% *  0.1109% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.50 +/- 2.72   0.097% *  0.0859% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  26.56 +/- 2.98   0.096% *  0.0646% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.22 +/- 1.16   0.094% *  0.0180% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 62.9:
      O T HA    MET   92 - HB3   MET   92   2.75 +/- 0.17  99.339% * 99.8006% (0.61  10.0 10.00   4.22  62.93) =  99.999%  kept
          HA    HIS  122 - HB3   MET   92  21.81 +/- 2.79   0.334% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  18.88 +/- 1.01   0.327% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 62.9:
      O T HA    MET   92 - HG2   MET   92   3.22 +/- 0.39  98.864% * 99.8006% (0.61  10.0 10.00   2.49  62.93) =  99.999%  kept
          HA    HIS  122 - HG2   MET   92  23.15 +/- 3.06   0.603% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   41 - HG2   MET   92  19.98 +/- 1.69   0.533% *  0.0676% (0.41   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.346, support = 0.6, residual support = 3.75:
          HB2   SER   37 - QG2   THR   39   3.01 +/- 0.82  77.849% * 45.2159% (0.30   0.66   4.51) =  83.079%  kept
          HA1   GLY   16 - QG2   THR   39  10.54 +/- 6.20  15.314% * 46.1649% (0.60   0.33   0.02) =  16.686%  kept
          HA    LYS+  66 - QG2   THR   39  12.90 +/- 2.69   2.339% *  2.1269% (0.46   0.02   0.02) =   0.117%  kept
          HA1   GLY   16 - QG2   THR   23  15.97 +/- 2.12   0.891% *  1.5582% (0.33   0.02   0.02) =   0.033%
          HA    LYS+  66 - QB    ALA   91  18.52 +/- 4.56   1.310% *  1.0044% (0.22   0.02   0.02) =   0.031%
          HA    LYS+  66 - QG2   THR   23  17.45 +/- 3.46   0.989% *  1.1935% (0.26   0.02   0.02) =   0.028%
          HB2   SER   37 - QG2   THR   23  15.85 +/- 2.49   0.847% *  0.7738% (0.17   0.02   0.02) =   0.015%
          HA1   GLY   16 - QB    ALA   91  24.11 +/- 4.08   0.235% *  1.3113% (0.28   0.02   0.02) =   0.007%
          HB2   SER   37 - QB    ALA   91  24.21 +/- 1.23   0.226% *  0.6512% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.49 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.29, residual support = 62.9:
      O   HN    MET   92 - HB3   MET   92   3.47 +/- 0.51  87.439% * 99.8535% (0.92  10.0   4.29  62.93) =  99.990%  kept
          HN    THR   46 - HB3   MET   92   8.50 +/- 1.36   8.935% *  0.0827% (0.76   1.0   0.02   0.02) =   0.008%
          HN    ASP- 113 - HB3   MET   92  13.06 +/- 2.08   2.619% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB3   MET   92  16.47 +/- 1.76   1.006% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.686, support = 0.02, residual support = 0.0434:
          HA    THR   46 - HB3   MET   92   7.47 +/- 1.51  40.984% * 16.4223% (0.80   0.02   0.02) =  65.497%  kept
          HA    GLN   90 - HB3   MET   92   8.16 +/- 0.65  33.077% *  3.5917% (0.18   0.02   0.22) =  11.561%  kept
          HA    VAL   42 - HB3   MET   92  15.16 +/- 0.91   5.194% * 18.3930% (0.90   0.02   0.02) =   9.296%  kept
          HA    PHE   55 - HB3   MET   92  13.64 +/- 3.25  10.211% *  6.3300% (0.31   0.02   0.02) =   6.290%  kept
          HA    PRO   58 - HB3   MET   92  16.67 +/- 2.59   5.550% *  5.1139% (0.25   0.02   0.02) =   2.762%  kept
          HA    GLN   17 - HB3   MET   92  25.64 +/- 4.84   1.229% * 17.7900% (0.87   0.02   0.02) =   2.127%  kept
          HA    SER   37 - HB3   MET   92  29.77 +/- 1.44   0.686% * 17.7900% (0.87   0.02   0.02) =   1.188%  kept
          HA    LEU   40 - HB3   MET   92  21.74 +/- 1.02   1.720% *  3.1644% (0.15   0.02   0.02) =   0.530%  kept
          HA    GLU-  15 - HB3   MET   92  28.43 +/- 3.17   0.815% *  5.7022% (0.28   0.02   0.02) =   0.452%  kept
          HA    SER   13 - HB3   MET   92  32.47 +/- 2.59   0.535% *  5.7022% (0.28   0.02   0.02) =   0.297%  kept
    Distance limit 4.30 A violated in 17 structures by 2.37 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 62.9:
      O T HA    MET   92 - HG3   MET   92   3.08 +/- 0.90  97.780% * 99.9198% (0.99  10.0 10.00   3.97  62.93) =  99.999%  kept
          HA    LYS+  74 - HG3   MET   92  15.48 +/- 1.54   1.562% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG3   MET   92  22.90 +/- 2.85   0.658% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.03, residual support = 62.8:
          HN    MET   92 - HG3   MET   92   3.89 +/- 0.63  85.867% * 98.0441% (0.92   4.04  62.93) =  99.797%  kept
          HN    THR   46 - HG3   MET   92   9.05 +/- 1.36  10.013% *  1.6457% (0.76   0.08   0.02) =   0.195%  kept
          HN    ASP- 113 - HG3   MET   92  13.91 +/- 2.39   2.736% *  0.1310% (0.25   0.02   0.02) =   0.004%
          HN    LYS+  74 - HG3   MET   92  17.05 +/- 1.85   1.384% *  0.1792% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.383, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB2   PRO   93   6.58 +/- 1.03  66.380% * 67.4545% (0.41   0.02   0.02) =  89.700%  kept
          HN    LYS+  65 - HB2   PRO   93  13.09 +/- 2.72  18.016% * 25.3164% (0.15   0.02   0.02) =   9.137%  kept
          QD    PHE   45 - HG3   GLN   30  14.84 +/- 2.73   8.310% *  5.2564% (0.03   0.02   0.02) =   0.875%  kept
          HN    LYS+  65 - HG3   GLN   30  15.35 +/- 2.43   7.294% *  1.9728% (0.01   0.02   0.02) =   0.288%  kept
    Distance limit 4.40 A violated in 15 structures by 1.91 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.38, residual support = 15.7:
      O   HN    THR   94 - HB2   PRO   93   3.89 +/- 0.17  91.634% * 99.8806% (1.00  10.0   4.38  15.66) =  99.997%  kept
          HN    GLU-  79 - HB2   PRO   93  13.01 +/- 2.01   3.291% *  0.0727% (0.73   1.0   0.02   0.02) =   0.003%
          HN    SER   85 - HB2   PRO   93  15.37 +/- 1.29   1.585% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG3   GLN   30  17.62 +/- 4.99   1.696% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.81 +/- 2.41   0.957% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  22.88 +/- 6.47   0.837% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.388, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   7.89 +/- 0.84  79.173% * 72.7108% (0.41   0.02   0.02) =  91.014%  kept
          HN    LYS+  65 - HG2   PRO   93  14.85 +/- 2.58  20.827% * 27.2892% (0.15   0.02   0.02) =   8.986%  kept
    Distance limit 4.24 A violated in 20 structures by 3.47 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 = 132.2:
      O   HB2   PRO   93 - HG3   PRO   93   2.44 +/- 0.23  91.431% * 98.6893% (0.84  10.0  1.00   5.30 132.19) =  99.988%  kept
          HB2   ARG+  54 - HG3   PRO   93   9.61 +/- 2.97   4.398% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB    ILE  119 - HG3   PRO   93  14.28 +/- 2.68   2.252% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  108 - HG3   PRO   93  11.71 +/- 2.30   1.255% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG3   PRO   93  23.03 +/- 2.76   0.145% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   PRO   93  22.07 +/- 2.12   0.147% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  21.94 +/- 3.58   0.261% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.72 +/- 1.24   0.076% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  35.35 +/- 3.12   0.036% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.2:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  89.112% * 96.9677% (0.99  10.0 10.00   3.97 132.19) =  99.986%  kept
        T QB    LYS+  65 - HG3   PRO   93  13.59 +/- 3.08   0.879% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PRO   52 - HG3   PRO   93   6.90 +/- 3.51   8.541% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HG3   PRO   93  15.50 +/- 3.41   0.941% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HG3   PRO   93  19.36 +/- 3.61   0.200% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   PRO   93  18.47 +/- 1.47   0.083% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   PRO   93  21.10 +/- 1.38   0.054% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG3   PRO   93  18.30 +/- 1.33   0.082% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  21.20 +/- 2.83   0.062% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  24.02 +/- 4.39   0.047% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 129.7:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  88.157% * 74.0499% (0.95  10.0 10.00   3.97 132.19) =  98.096%  kept
          HB3   MET   92 - HG2   PRO   93   4.86 +/- 0.85   5.325% * 15.9330% (0.92   1.0  1.00   4.41   1.94) =   1.275%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.66 +/- 3.85   4.833% *  8.6269% (0.98   1.0 10.00   0.22   0.02) =   0.626%  kept
        T QD    LYS+  65 - HG2   PRO   93  14.97 +/- 3.11   0.311% *  0.1743% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   PRO   93  21.00 +/- 1.13   0.053% *  0.6268% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  16.41 +/- 4.34   0.498% *  0.0627% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.84 +/- 1.65   0.265% *  0.0475% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.25 +/- 3.05   0.145% *  0.0755% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  25.96 +/- 1.76   0.029% *  0.3218% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.43 +/- 2.31   0.187% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.46 +/- 1.38   0.058% *  0.0443% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.67 +/- 2.18   0.140% *  0.0155% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.1:
      O   HD3   PRO   93 - HG3   PRO   93   2.45 +/- 0.25  64.422% * 99.5358% (0.97  10.0   3.97 132.19) =  99.950%  kept
          HB3   CYS   53 - HG3   PRO   93   6.56 +/- 2.65  16.604% *  0.0861% (0.84   1.0   0.02   0.02) =   0.022%
          QB    PHE   55 - HG3   PRO   93   7.40 +/- 3.43  11.046% *  0.1029% (1.00   1.0   0.02   0.02) =   0.018%
          HD2   ARG+  54 - HG3   PRO   93  11.23 +/- 3.52   5.536% *  0.0788% (0.76   1.0   0.02   0.02) =   0.007%
          HB2   PHE   59 - HG3   PRO   93  10.65 +/- 2.22   2.061% *  0.0952% (0.92   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - HG3   PRO   93  19.66 +/- 3.52   0.331% *  0.1011% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.2:
      O   HD2   PRO   93 - HG3   PRO   93   2.73 +/- 0.25  97.734% * 99.4436% (0.25  10.0   3.97 132.19) =  99.993%  kept
          HA    THR   77 - HG3   PRO   93  11.66 +/- 1.62   1.819% *  0.3681% (0.92   1.0   0.02   0.02) =   0.007%
          HB2   TRP   27 - HG3   PRO   93  20.55 +/- 2.17   0.265% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.72 +/- 1.77   0.182% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  14.77 +/- 2.62 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.29 A violated in 20 structures by 10.49 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.697, support = 2.59, residual support = 5.02:
          HN    ALA  110 - HD2   PRO   93   7.60 +/- 3.86  49.770% * 83.0771% (0.71   2.88   5.79) =  86.613%  kept
          HN    PHE   45 - HD2   PRO   93   7.81 +/- 1.00  38.691% * 16.4057% (0.61   0.67   0.02) =  13.296%  kept
          HN    ASP-  44 - HD2   PRO   93  11.94 +/- 1.06  10.097% *  0.4143% (0.11   0.09   0.02) =   0.088%
          HN    GLU-  25 - HD2   PRO   93  23.68 +/- 2.44   1.442% *  0.1029% (0.13   0.02   0.02) =   0.003%
    Distance limit 4.34 A violated in 10 structures by 1.56 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.383, support = 0.898, residual support = 0.763:
          HA1   GLY  109 - HD2   PRO   93   8.99 +/- 3.53  41.728% * 88.3394% (0.38   0.93   0.79) =  96.961%  kept
          HA    CYS   50 - HD2   PRO   93   8.90 +/- 3.28  39.451% *  1.7660% (0.35   0.02   0.02) =   1.833%  kept
          HA    TRP   49 - HD2   PRO   93  12.33 +/- 2.61  11.028% *  2.4922% (0.50   0.02   0.02) =   0.723%  kept
          HA    CYS   21 - HD2   PRO   93  21.35 +/- 2.39   2.719% *  3.1471% (0.63   0.02   0.02) =   0.225%  kept
          HA    LYS+ 102 - HD2   PRO   93  22.21 +/- 0.90   2.209% *  3.6200% (0.72   0.02   0.02) =   0.210%  kept
          HA    ALA   20 - HD2   PRO   93  20.78 +/- 3.28   2.866% *  0.6354% (0.13   0.02   0.02) =   0.048%
    Distance limit 4.30 A violated in 10 structures by 2.08 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.684, support = 2.27, residual support = 5.74:
          QB    ALA  110 - HD2   PRO   93   6.18 +/- 3.27  39.347% * 93.7700% (0.69   2.29   5.79) =  99.160%  kept
          QB    ALA   61 - HD2   PRO   93  12.05 +/- 1.98  12.863% *  0.8650% (0.72   0.02   0.02) =   0.299%  kept
          QG    LYS+  66 - HD2   PRO   93  17.37 +/- 3.47   6.376% *  0.6942% (0.58   0.02   0.02) =   0.119%  kept
          HG    LEU   73 - HD2   PRO   93  17.03 +/- 3.44   5.890% *  0.5258% (0.44   0.02   0.02) =   0.083%
          HG    LEU   80 - HD2   PRO   93  16.55 +/- 3.38   3.145% *  0.8366% (0.70   0.02   0.02) =   0.071%
          HB3   LEU   67 - HD2   PRO   93  19.18 +/- 2.90   2.863% *  0.8201% (0.69   0.02   0.02) =   0.063%
          HB3   LEU  115 - HD2   PRO   93  10.00 +/- 1.77  14.895% *  0.1518% (0.13   0.02   0.02) =   0.061%
          HB2   LEU   80 - HD2   PRO   93  15.12 +/- 2.73   3.886% *  0.4220% (0.35   0.02   0.02) =   0.044%
          HG12  ILE   19 - HD2   PRO   93  22.90 +/- 2.34   1.601% *  0.7775% (0.65   0.02   0.02) =   0.033%
          HB3   LYS+  74 - HD2   PRO   93  16.44 +/- 1.46   3.675% *  0.2676% (0.22   0.02   0.02) =   0.026%
          HD3   LYS+ 121 - HD2   PRO   93  19.43 +/- 2.23   2.534% *  0.2957% (0.25   0.02   0.02) =   0.020%
          HG2   LYS+ 102 - HD2   PRO   93  23.95 +/- 1.45   1.090% *  0.4220% (0.35   0.02   0.02) =   0.012%
          HG    LEU   40 - HD2   PRO   93  20.04 +/- 1.30   1.833% *  0.1518% (0.13   0.02   0.02) =   0.007%
    Distance limit 3.88 A violated in 10 structures by 2.08 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.461, support = 1.79, residual support = 11.1:
          QB    ALA  110 - HD3   PRO   93   6.75 +/- 3.05  20.039% * 56.5627% (0.78   0.75   5.79) =  54.722%  kept
          HB3   LEU   67 - HD3   PRO   68   4.16 +/- 0.69  31.977% * 25.5366% (0.08   3.39  20.10) =  39.424%  kept
          QG    LYS+  66 - HD3   PRO   68   4.86 +/- 1.60  26.704% *  4.0277% (0.05   0.84   0.02) =   5.193%  kept
          HG    LEU   80 - HD3   PRO   93  16.45 +/- 3.14   2.490% *  1.4524% (0.75   0.02   0.02) =   0.175%  kept
          QB    ALA   61 - HD3   PRO   93  11.85 +/- 2.08   2.000% *  1.1249% (0.58   0.02   0.02) =   0.109%  kept
          HB2   LEU   80 - HD3   PRO   93  14.96 +/- 2.45   1.199% *  1.6449% (0.85   0.02   0.02) =   0.095%
          HB3   LYS+  74 - HD3   PRO   93  16.18 +/- 1.32   0.579% *  1.3924% (0.72   0.02   0.02) =   0.039%
          HD3   LYS+ 121 - HD3   PRO   93  20.07 +/- 2.34   0.477% *  1.4524% (0.75   0.02   0.02) =   0.033%
          QG    LYS+  66 - HD3   PRO   93  17.10 +/- 3.82   1.027% *  0.5367% (0.28   0.02   0.02) =   0.027%
          HB3   LYS+  74 - HD3   PRO   68  12.68 +/- 2.94   2.206% *  0.2478% (0.13   0.02   0.02) =   0.026%
          QB    ALA   61 - HD3   PRO   68  10.04 +/- 0.95   2.133% *  0.2002% (0.10   0.02   0.02) =   0.021%
          HG12  ILE   19 - HD3   PRO   68  13.28 +/- 4.14   1.415% *  0.2857% (0.15   0.02   0.02) =   0.020%
          QB    LEU   98 - HD3   PRO   93  17.22 +/- 0.70   0.435% *  0.9149% (0.47   0.02   0.02) =   0.019%
          HD3   LYS+ 121 - HD3   PRO   68  16.79 +/- 5.14   1.488% *  0.2585% (0.13   0.02   0.02) =   0.019%
          HG12  ILE   19 - HD3   PRO   93  22.88 +/- 2.31   0.200% *  1.6052% (0.83   0.02   0.02) =   0.016%
          HG    LEU   73 - HD3   PRO   93  17.04 +/- 3.31   1.053% *  0.3045% (0.16   0.02   0.02) =   0.015%
          HB3   LEU   67 - HD3   PRO   93  19.08 +/- 3.01   0.374% *  0.8464% (0.44   0.02   0.02) =   0.015%
          QB    LEU   98 - HD3   PRO   68  14.57 +/- 3.16   1.183% *  0.1628% (0.08   0.02   0.02) =   0.009%
          QB    ALA  110 - HD3   PRO   68  18.82 +/- 2.98   0.407% *  0.2684% (0.14   0.02   0.02) =   0.005%
          HB2   LEU   80 - HD3   PRO   68  21.28 +/- 3.07   0.361% *  0.2927% (0.15   0.02   0.02) =   0.005%
          HG    LEU   80 - HD3   PRO   68  21.52 +/- 3.77   0.350% *  0.2585% (0.13   0.02   0.02) =   0.004%
          QB    ALA   12 - HD3   PRO   68  17.81 +/- 4.25   0.744% *  0.0860% (0.04   0.02   0.02) =   0.003%
          QB    ALA   12 - HD3   PRO   93  28.18 +/- 3.12   0.130% *  0.4835% (0.25   0.02   0.02) =   0.003%
          HG    LEU   73 - HD3   PRO   68  14.14 +/- 1.76   1.028% *  0.0542% (0.03   0.02   0.02) =   0.003%
    Distance limit 3.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.05:
          QG2   ILE   89 - HB    THR   94   5.52 +/- 2.55 100.000% *100.0000% (0.28   2.00   5.05) = 100.000%  kept
    Distance limit 3.40 A violated in 9 structures by 2.17 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.748, support = 1.84, residual support = 4.49:
          QD1   ILE   89 - HB    THR   94   5.42 +/- 2.42  56.019% * 82.7047% (0.77   2.00   5.05) =  88.624%  kept
          QG2   VAL   83 - HB    THR   94   7.41 +/- 2.41  34.714% * 17.0719% (0.57   0.55   0.10) =  11.336%  kept
          QD2   LEU   31 - HB    THR   94  13.39 +/- 2.41   9.267% *  0.2234% (0.21   0.02   0.02) =   0.040%
    Distance limit 3.75 A violated in 5 structures by 1.14 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.4:
        T HB2   PHE   45 - HB    THR   94   3.05 +/- 0.54  96.196% * 99.8423% (0.81 10.00   2.96  27.37) =  99.996%  kept
          QE    LYS+ 111 - HB    THR   94  12.12 +/- 2.05   2.873% *  0.1032% (0.83  1.00   0.02   0.02) =   0.003%
          HB2   CYS   21 - HB    THR   94  15.89 +/- 2.82   0.931% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.04 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  12.92 +/- 2.22 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.05 A violated in 20 structures by 9.88 A, eliminated.
    Peak unassigned.
 
    Peak 3026 (8.03, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.08, residual support = 25.0:
      O   HN    THR   94 - HB    THR   94   2.69 +/- 0.21  96.474% * 99.8964% (0.83  10.0   3.08  24.99) =  99.998%  kept
          HN    GLU-  79 - HB    THR   94  11.45 +/- 2.14   2.240% *  0.0727% (0.61   1.0   0.02   0.02) =   0.002%
          HN    SER   85 - HB    THR   94  12.29 +/- 1.95   1.286% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.804, support = 3.38, residual support = 27.0:
          HN    PHE   45 - HB    THR   94   4.03 +/- 0.42  87.542% * 90.3143% (0.81   3.43  27.37) =  98.497%  kept
          HN    ALA  110 - HB    THR   94   9.15 +/- 2.11  12.458% *  9.6857% (0.67   0.44   0.02) =   1.503%  kept
    Distance limit 4.31 A violated in 0 structures by 0.04 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   5.32 +/- 0.71 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.56 A violated in 14 structures by 1.76 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 14.8:
          HN    PHE   95 - QG2   THR   94   2.34 +/- 0.40 100.000% *100.0000% (0.97   4.34  14.75) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.648, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  11.96 +/- 1.49  25.903% * 27.7167% (0.84   0.02   0.02) =  42.212%  kept
          HA    TRP   87 - HA    PHE   95  14.45 +/- 3.07  17.546% * 25.3593% (0.76   0.02   0.02) =  26.161%  kept
          HA    PHE   59 - HA    PHE   95   9.86 +/- 2.08  41.317% *  8.2742% (0.25   0.02   0.02) =  20.100%  kept
          HA    ASP-  86 - HA    PHE   95  16.81 +/- 2.88   9.754% * 12.4539% (0.38   0.02   0.02) =   7.142%  kept
          HA    GLU-  14 - HA    PHE   95  23.23 +/- 2.99   3.529% * 14.8769% (0.45   0.02   0.02) =   3.087%  kept
          HA    ALA   12 - HA    PHE   95  27.76 +/- 2.41   1.950% * 11.3190% (0.34   0.02   0.02) =   1.298%  kept
    Distance limit 3.60 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 = 73.5:
          QD    PHE   95 - HA    PHE   95   2.72 +/- 0.51  97.854% * 99.8140% (0.87   3.44  73.46) =  99.996%  kept
          HN    ALA   47 - HA    PHE   95  10.91 +/- 1.07   2.146% *  0.1860% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.02  99.127% * 99.9753% (0.80  10.0   3.99  11.98) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.44 +/- 1.29   0.873% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.33  73.46) = 100.000%  kept
    Distance limit 3.85 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   2.41 +/- 0.13  99.112% * 99.9680% (0.87  10.0   3.00  73.46) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.61 +/- 1.35   0.888% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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   2.55 +/- 0.19  98.974% * 99.9680% (0.87  10.0   3.31  73.46) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.28 +/- 1.40   1.026% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.67 +/- 0.12 100.000% *100.0000% (0.53  10.0   4.19  73.46) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.71 +/- 0.20 100.000% *100.0000% (0.53  10.0   3.86  73.46) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.831, support = 1.69, residual support = 42.1:
          QG2   VAL  107 - HB3   PHE   95   4.09 +/- 0.56  71.865% * 89.5903% (0.84   1.71  42.47) =  99.078%  kept
          HG13  ILE  103 - HB3   PHE   95  10.09 +/- 1.42   6.129% *  7.0618% (0.38   0.30   0.02) =   0.666%  kept
          HG2   LYS+ 121 - HB3   PHE   95  12.43 +/- 3.92   5.438% *  1.2321% (0.98   0.02   0.02) =   0.103%  kept
          HG13  ILE  119 - HB3   PHE   95   8.81 +/- 2.44  12.419% *  0.5168% (0.41   0.02   0.02) =   0.099%
          QB    ALA   20 - HB3   PHE   95  15.20 +/- 2.59   2.413% *  1.1273% (0.90   0.02   0.02) =   0.042%
          HB3   LEU   31 - HB3   PHE   95  15.41 +/- 1.66   1.736% *  0.4718% (0.38   0.02   0.02) =   0.013%
    Distance limit 4.02 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.704, support = 1.34, residual support = 4.31:
          QD2   LEU  115 - HB3   PHE   95   5.69 +/- 1.53  29.941% * 40.6866% (0.90   1.21   8.17) =  41.999%  kept
          QD1   LEU   63 - HB3   PHE   95   6.74 +/- 3.67  33.646% * 35.3190% (0.57   1.66   1.92) =  40.970%  kept
          QD1   LEU   73 - HB3   PHE   95   9.41 +/- 3.80  24.861% * 19.2537% (0.57   0.90   0.55) =  16.503%  kept
          QG2   ILE   89 - HB3   PHE   95  10.77 +/- 2.07   3.606% *  2.7493% (0.15   0.47   0.02) =   0.342%  kept
          QD1   LEU  104 - HB3   PHE   95   9.97 +/- 1.51   4.273% *  0.7517% (1.00   0.02   0.02) =   0.111%  kept
          QG1   VAL   83 - HB3   PHE   95  12.65 +/- 2.60   2.353% *  0.5458% (0.73   0.02   0.02) =   0.044%
          QD2   LEU   80 - HB3   PHE   95  14.23 +/- 2.46   1.320% *  0.6939% (0.92   0.02   0.02) =   0.032%
    Distance limit 3.78 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.639, support = 0.737, residual support = 0.744:
          QG1   VAL   42 - HB3   PHE   95   4.39 +/- 1.63  63.084% * 36.3815% (0.65   0.75   0.94) =  72.826%  kept
          QB    ALA   64 - HB3   PHE   95   8.56 +/- 1.22  16.079% * 32.1135% (0.53   0.81   0.31) =  16.385%  kept
          QB    ALA   47 - HB3   PHE   95  11.54 +/- 1.52  10.804% * 31.0421% (0.76   0.54   0.02) =  10.642%  kept
          HG2   LYS+ 112 - HB3   PHE   95  10.37 +/- 2.34  10.032% *  0.4629% (0.31   0.02   4.12) =   0.147%  kept
    Distance limit 3.80 A violated in 3 structures by 0.65 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.34, support = 3.55, residual support = 42.4:
          QG2   VAL  107 - HB2   PHE   95   3.04 +/- 0.59  84.510% * 94.2117% (0.34   3.56  42.47) =  99.809%  kept
          HG13  ILE  119 - HB2   PHE   95   9.47 +/- 2.41   5.060% *  1.3919% (0.90   0.02   0.02) =   0.088%
          HG2   LYS+ 121 - HB2   PHE   95  12.46 +/- 3.99   2.925% *  0.8787% (0.57   0.02   0.02) =   0.032%
          QB    ALA   20 - HB2   PHE   95  16.22 +/- 2.41   1.733% *  1.4327% (0.92   0.02   0.02) =   0.031%
          HD3   LYS+ 112 - HB2   PHE   95  10.87 +/- 2.52   3.987% *  0.4315% (0.28   0.02   4.12) =   0.022%
          HB3   LEU   31 - HB2   PHE   95  16.21 +/- 1.88   0.814% *  1.3463% (0.87   0.02   0.02) =   0.014%
          QG1   VAL   24 - HB2   PHE   95  16.11 +/- 2.38   0.970% *  0.3071% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.8, support = 4.21, residual support = 42.4:
        T HB    VAL  107 - HB2   PHE   95   2.29 +/- 0.67  86.650% * 98.6809% (0.80 10.00   4.21  42.47) =  99.920%  kept
          QE    LYS+ 112 - HB2   PHE   95   9.53 +/- 2.55   6.753% *  0.5795% (0.38  1.00   0.25   4.12) =   0.046%
          HB3   PHE   45 - HB2   PHE   95   8.50 +/- 1.24   5.565% *  0.5193% (0.38  1.00   0.22   1.89) =   0.034%
          QG    GLN   32 - HB2   PHE   95  19.83 +/- 1.33   0.284% *  0.1166% (0.95  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  16.31 +/- 2.27   0.380% *  0.0847% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.81 +/- 0.82   0.368% *  0.0190% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.877, support = 0.676, residual support = 4.1:
          QD1   ILE   89 - QG2   THR   94   4.90 +/- 2.14  54.385% * 72.8672% (0.92   0.75   5.05) =  80.756%  kept
          QG2   VAL   83 - QG2   THR   94   6.50 +/- 2.34  35.288% * 26.6080% (0.69   0.37   0.10) =  19.134%  kept
          QD2   LEU   31 - QG2   THR   94  10.91 +/- 2.00  10.327% *  0.5249% (0.25   0.02   0.02) =   0.110%  kept
    Distance limit 3.18 A violated in 6 structures by 1.06 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.13:
        T HA    LYS+ 106 - HA    MET   96   3.00 +/- 0.89 100.000% *100.0000% (0.97 10.00   1.07   2.13) = 100.000%  kept
    Distance limit 3.41 A violated in 1 structures by 0.21 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.0:
      O   HN    PHE   97 - HA    MET   96   2.24 +/- 0.06  98.542% * 99.8692% (0.88  10.0   6.07  43.98) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  10.88 +/- 1.13   0.959% *  0.0999% (0.88   1.0   0.02   0.11) =   0.001%
          HN    ASP- 113 - HA    MET   96  14.11 +/- 1.45   0.500% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.4:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.39) = 100.000%  kept
    Distance limit 3.82 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 = 1.84, residual support = 8.42:
        T QE    PHE   45 - HB2   MET   96   3.79 +/- 0.63  74.220% * 98.1756% (0.49 10.00   1.84   8.45) =  99.694%  kept
        T HZ    PHE   72 - HB2   MET   96  10.09 +/- 2.48  12.122% *  1.6740% (0.76 10.00   0.02   0.02) =   0.278%  kept
          QD    PHE   72 - HB2   MET   96   8.20 +/- 1.67  13.658% *  0.1505% (0.69  1.00   0.02   0.02) =   0.028%
    Distance limit 3.89 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.0:
          HN    PHE   97 - HB2   MET   96   4.10 +/- 0.40  93.929% * 99.4517% (0.92   6.07  43.98) =  99.986%  kept
          HN    LEU  115 - HB2   MET   96  12.92 +/- 1.18   3.579% *  0.3276% (0.92   0.02   0.11) =   0.013%
          HN    ASN   35 - HB2   MET   96  15.44 +/- 2.08   2.122% *  0.0480% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   MET   96  27.34 +/- 2.27   0.370% *  0.1727% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.20 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   2.73 +/- 0.34 100.000% *100.0000% (0.65  10.0   4.03 115.39) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3051 (6.72, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.791, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  10.76 +/- 2.36  38.991% * 81.6578% (0.99   0.02   0.02) =  73.994%  kept
          QD    PHE   72 - HB3   MET   96   8.93 +/- 1.26  61.009% * 18.3422% (0.22   0.02   0.02) =  26.006%  kept
    Distance limit 3.74 A violated in 19 structures by 4.63 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   2.80 +/- 0.33 100.000% *100.0000% (0.65  10.0   3.97 115.39) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.73, support = 1.97, residual support = 15.7:
          QG1   VAL   43 - HB2   MET   96   2.75 +/- 0.91  72.766% * 64.1047% (0.73   2.00  16.03) =  97.760%  kept
          QG2   THR   46 - HB2   MET   96  10.01 +/- 1.06   2.748% * 33.0941% (0.98   0.76   0.02) =   1.906%  kept
          QD2   LEU  104 - HB2   MET   96   8.14 +/- 1.85  15.740% *  0.7069% (0.80   0.02   0.02) =   0.233%  kept
          QG1   VAL   41 - HB2   MET   96   7.50 +/- 1.07   6.638% *  0.4645% (0.53   0.02   0.02) =   0.065%
          QG2   VAL   18 - HB2   MET   96  14.08 +/- 3.80   1.140% *  0.8149% (0.92   0.02   0.02) =   0.019%
          QD1   ILE   19 - HB2   MET   96  13.95 +/- 1.65   0.968% *  0.8149% (0.92   0.02   0.02) =   0.017%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.86, support = 0.02, residual support = 0.02:
          QG2   VAL   83 - HB2   MET   96   8.83 +/- 3.11  35.090% * 36.4416% (0.92   0.02   0.02) =  38.322%  kept
          QD2   LEU   31 - HB2   MET   96   9.41 +/- 2.91  31.946% * 36.4416% (0.92   0.02   0.02) =  34.889%  kept
          QD1   ILE   89 - HB2   MET   96   9.36 +/- 2.78  32.964% * 27.1168% (0.69   0.02   0.02) =  26.789%  kept
    Distance limit 4.00 A violated in 17 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.672, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96   8.72 +/- 3.12  51.779% * 94.3530% (0.69 10.00   0.02   0.02) =  94.720%  kept
          QG2   VAL   83 - HB3   MET   96   8.66 +/- 3.17  48.221% *  5.6470% (0.41  1.00   0.02   0.02) =   5.280%  kept
    Distance limit 3.99 A violated in 16 structures by 3.19 A, eliminated.
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 44.0:
          HN    PHE   97 - HG2   MET   96   3.92 +/- 0.71  88.993% * 99.1283% (0.92   5.59  43.98) =  99.982%  kept
          HN    LEU  115 - HG2   MET   96  13.78 +/- 1.25   2.401% *  0.3545% (0.92   0.02   0.11) =   0.010%
          HN    LEU  115 - HB2   PRO   52  12.70 +/- 2.38   4.502% *  0.1041% (0.27   0.02   0.02) =   0.005%
          HN    PHE   97 - HB2   PRO   52  18.64 +/- 2.73   1.124% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   96  15.08 +/- 2.04   2.220% *  0.0520% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HG2   MET   96  28.07 +/- 2.66   0.330% *  0.1869% (0.49   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   PRO   52  35.74 +/- 4.24   0.164% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  29.71 +/- 3.20   0.267% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.01, residual support = 44.0:
          HN    PHE   97 - HG3   MET   96   3.21 +/- 0.56  97.187% * 99.5663% (0.54   6.01  43.98) =  99.993%  kept
          HN    LEU  115 - HG3   MET   96  13.10 +/- 1.21   1.898% *  0.3311% (0.54   0.02   0.11) =   0.006%
          HN    ASP- 113 - HG3   MET   96  16.30 +/- 1.63   0.914% *  0.1026% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.658, support = 1.68, residual support = 4.46:
          QG2   THR   94 - HG2   MET   96   5.55 +/- 0.56  24.646% * 64.6166% (0.99   1.31   3.19) =  54.925%  kept
          HG13  ILE  103 - HG2   MET   96   3.87 +/- 1.51  48.036% * 26.8333% (0.25   2.17   6.09) =  44.454%  kept
          HB3   LYS+ 112 - HG2   MET   96  16.83 +/- 2.89   1.375% *  4.3727% (0.98   0.09   0.02) =   0.207%  kept
          QG2   THR   94 - HB2   PRO   52  11.43 +/- 2.60   3.424% *  1.4754% (0.29   0.10   0.02) =   0.174%  kept
          HB3   LEU   71 - HG2   MET   96  14.07 +/- 2.81   2.665% *  0.7957% (0.80   0.02   0.02) =   0.073%
          HB3   LYS+ 112 - HB2   PRO   52  10.17 +/- 3.16   7.013% *  0.2861% (0.29   0.02   0.02) =   0.069%
          HD2   LYS+ 112 - HB2   PRO   52   9.86 +/- 3.51   6.470% *  0.2532% (0.25   0.02   0.02) =   0.056%
          HD2   LYS+ 112 - HG2   MET   96  17.13 +/- 3.31   0.864% *  0.8620% (0.87   0.02   0.02) =   0.026%
          HG3   LYS+ 111 - HB2   PRO   52  12.78 +/- 3.46   3.815% *  0.0450% (0.05   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HG2   MET   96  16.96 +/- 1.81   1.038% *  0.1533% (0.15   0.02   0.02) =   0.005%
          HB3   LEU   71 - HB2   PRO   52  24.40 +/- 2.42   0.287% *  0.2337% (0.24   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB2   PRO   52  21.84 +/- 2.99   0.369% *  0.0728% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.882, support = 2.29, residual support = 5.7:
          QG2   ILE  103 - HG2   MET   96   4.00 +/- 1.33  31.420% * 63.5626% (1.00   2.67   6.09) =  72.073%  kept
          QD1   ILE  103 - HG2   MET   96   3.94 +/- 1.45  34.456% * 17.3462% (0.49   1.49   6.09) =  21.569%  kept
          QD2   LEU   40 - HG2   MET   96   7.89 +/- 1.43  10.200% * 16.7480% (0.95   0.74   0.02) =   6.165%  kept
          QD2   LEU   71 - HG2   MET   96  12.04 +/- 2.36   5.000% *  0.2892% (0.61   0.02   0.02) =   0.052%
          QD1   LEU   67 - HG2   MET   96  11.42 +/- 2.16   3.101% *  0.4601% (0.97   0.02   0.02) =   0.051%
          HG3   LYS+  74 - HG2   MET   96  14.42 +/- 1.76   1.763% *  0.4726% (0.99   0.02   0.02) =   0.030%
          HB    VAL   75 - HG2   MET   96   9.44 +/- 1.21   4.282% *  0.1789% (0.38   0.02   0.02) =   0.028%
          QG2   ILE  119 - HG2   MET   96  13.90 +/- 1.88   1.127% *  0.1472% (0.31   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HB2   PRO   52  16.92 +/- 3.22   1.099% *  0.1388% (0.29   0.02   0.02) =   0.006%
          QG2   ILE  119 - HB2   PRO   52  13.95 +/- 2.91   3.162% *  0.0432% (0.09   0.02   0.02) =   0.005%
          QD1   LEU   67 - HB2   PRO   52  16.11 +/- 1.54   0.792% *  0.1352% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   40 - HB2   PRO   52  18.89 +/- 2.78   0.610% *  0.1325% (0.28   0.02   0.02) =   0.003%
          QG2   ILE  103 - HB2   PRO   52  18.04 +/- 1.80   0.578% *  0.1398% (0.29   0.02   0.02) =   0.003%
          HB    VAL   75 - HB2   PRO   52  15.81 +/- 2.65   1.259% *  0.0526% (0.11   0.02   0.02) =   0.002%
          QD2   LEU   71 - HB2   PRO   52  20.20 +/- 2.48   0.539% *  0.0850% (0.18   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   PRO   52  18.68 +/- 2.46   0.612% *  0.0682% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.325, support = 0.423, residual support = 0.769:
          QB    LEU   98 - HG3   MET   96   4.94 +/- 1.19  27.752% * 14.5208% (0.14   0.73   0.35) =  42.397%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.50 +/- 2.25  34.686% *  7.0516% (0.61   0.08   2.13) =  25.733%  kept
          HG    LEU   98 - HG3   MET   96   5.74 +/- 1.87  21.292% *  8.6759% (0.25   0.24   0.35) =  19.435%  kept
          HG3   LYS+ 102 - HG3   MET   96  10.28 +/- 1.36   2.033% * 38.9940% (0.59   0.45   0.02) =   8.340%  kept
          HB3   PRO   93 - HG3   MET   96  12.35 +/- 0.94   0.963% * 17.7083% (0.34   0.35   0.02) =   1.794%  kept
          HB    VAL   42 - HG3   MET   96   8.33 +/- 1.50   4.700% *  1.5961% (0.54   0.02   0.02) =   0.789%  kept
          HB3   ASP-  44 - HG3   MET   96  10.19 +/- 0.98   2.102% *  2.6395% (0.12   0.15   0.02) =   0.584%  kept
          HB3   LEU   73 - HG3   MET   96  11.81 +/- 2.75   2.443% *  1.6835% (0.57   0.02   0.13) =   0.433%  kept
          QB    ALA   84 - HG3   MET   96  13.12 +/- 2.72   1.929% *  0.9364% (0.32   0.02   0.02) =   0.190%  kept
          HB2   LYS+ 112 - HG3   MET   96  16.31 +/- 2.38   0.621% *  1.7640% (0.60   0.02   0.02) =   0.115%  kept
          HG3   LYS+  33 - HG3   MET   96  16.40 +/- 1.46   0.505% *  1.4865% (0.51   0.02   0.02) =   0.079%
          HG3   LYS+  65 - HG3   MET   96  17.70 +/- 3.48   0.462% *  1.5961% (0.54   0.02   0.02) =   0.078%
          QB    ALA  124 - HG3   MET   96  18.45 +/- 2.89   0.324% *  0.5493% (0.19   0.02   0.02) =   0.019%
          QB    ALA   12 - HG3   MET   96  23.37 +/- 2.85   0.188% *  0.7979% (0.27   0.02   0.02) =   0.016%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.41, support = 1.67, residual support = 4.4:
          QG2   THR   94 - HG3   MET   96   5.32 +/- 0.80  33.354% * 61.2173% (0.60  1.00   1.31   3.19) =  57.147%  kept
          HG13  ILE  103 - HG3   MET   96   4.01 +/- 1.65  59.112% * 25.5745% (0.15  1.00   2.18   6.09) =  42.311%  kept
        T HD2   LYS+ 112 - HG3   MET   96  16.53 +/- 3.25   1.337% *  8.1665% (0.53 10.00   0.02   0.02) =   0.305%  kept
          HB3   LYS+ 112 - HG3   MET   96  16.25 +/- 2.60   1.317% *  4.1426% (0.59  1.00   0.09   0.02) =   0.153%  kept
          HB3   LEU   71 - HG3   MET   96  14.44 +/- 3.03   3.767% *  0.7539% (0.49  1.00   0.02   0.02) =   0.079%
          HG3   LYS+ 111 - HG3   MET   96  16.27 +/- 1.83   1.114% *  0.1453% (0.09  1.00   0.02   0.02) =   0.005%
    Distance limit 3.83 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.547, support = 2.29, residual support = 5.83:
          QG2   ILE  103 - HG3   MET   96   3.75 +/- 1.34  42.415% * 64.9171% (0.61   2.56   6.09) =  77.605%  kept
          QD1   ILE  103 - HG3   MET   96   4.17 +/- 1.26  33.844% * 18.9965% (0.30   1.53   6.09) =  18.120%  kept
          QD2   LEU   40 - HG3   MET   96   7.79 +/- 1.27  10.213% * 14.4344% (0.57   0.60   0.02) =   4.155%  kept
          QD1   LEU   67 - HG3   MET   96  11.54 +/- 2.23   3.476% *  0.4910% (0.59   0.02   0.02) =   0.048%
          HB    VAL   75 - HG3   MET   96   9.91 +/- 1.16   4.663% *  0.1910% (0.23   0.02   0.02) =   0.025%
          QD2   LEU   71 - HG3   MET   96  12.28 +/- 2.48   2.730% *  0.3086% (0.37   0.02   0.02) =   0.024%
          HG3   LYS+  74 - HG3   MET   96  14.84 +/- 1.41   1.171% *  0.5043% (0.60   0.02   0.02) =   0.017%
          QG2   ILE  119 - HG3   MET   96  13.48 +/- 2.07   1.489% *  0.1570% (0.19   0.02   0.02) =   0.007%
    Distance limit 3.89 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.36, residual support = 10.7:
      O   HN    LEU   98 - HA    PHE   97   2.22 +/- 0.03 100.000% *100.0000% (0.80  10.0   3.36  10.68) = 100.000%  kept
    Distance limit 2.80 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   2.92 +/- 0.01  97.640% * 99.8692% (0.90  10.0   4.70  62.23) =  99.998%  kept
          HN    LEU  115 - HA    PHE   97  12.45 +/- 1.30   1.449% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  15.88 +/- 1.75   0.911% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.49 +/- 0.15  98.683% * 99.9164% (0.45  10.0 10.00   2.44  62.23) =  99.999%  kept
          HZ3   TRP   87 - HB2   PHE   97  15.09 +/- 6.34   1.317% *  0.0836% (0.38   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 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.81, residual support = 59.7:
          HN    ASP- 105 - HB2   PHE   97   2.76 +/- 0.70  99.438% * 99.8984% (0.95   7.81  59.75) =  99.999%  kept
          HN    ALA   88 - HB2   PHE   97  19.87 +/- 3.97   0.562% *  0.1016% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.09 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   2.94 +/- 0.52  96.767% * 99.8692% (0.90  10.0   4.81  62.23) =  99.998%  kept
          HN    LEU  115 - HB2   PHE   97  11.69 +/- 1.36   1.988% *  0.0999% (0.90   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB2   PHE   97  15.04 +/- 1.74   1.245% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.947, support = 3.45, residual support = 48.7:
        T HB3   ASP- 105 - HB2   PHE   97   3.23 +/- 1.05  57.217% * 53.3175% (0.99 10.00   3.82  59.75) =  77.223%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.83 +/- 1.31  20.357% * 43.0745% (0.80 10.00   2.22  11.34) =  22.196%  kept
          HB    ILE  103 - HB2   PHE   97   7.28 +/- 1.08   5.994% *  2.0765% (1.00  1.00   0.77   2.29) =   0.315%  kept
          HG12  ILE  103 - HB2   PHE   97   6.88 +/- 1.49   8.522% *  1.2023% (0.20  1.00   2.26   2.29) =   0.259%  kept
          HG3   PRO   68 - HB2   PHE   97  16.79 +/- 3.93   1.110% *  0.0537% (1.00  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HB2   PHE   97  15.28 +/- 1.74   0.932% *  0.0509% (0.95  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PHE   97  14.51 +/- 4.71   2.119% *  0.0221% (0.41  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PHE   97  21.15 +/- 3.28   0.471% *  0.0537% (1.00  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   PHE   97  14.74 +/- 2.48   1.210% *  0.0202% (0.38  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   PHE   97  20.75 +/- 2.32   0.352% *  0.0449% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.41 +/- 1.85   1.028% *  0.0134% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  22.25 +/- 1.50   0.239% *  0.0482% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  20.03 +/- 2.25   0.449% *  0.0221% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.307, support = 4.46, residual support = 13.6:
        T HB2   LEU  104 - HB2   PHE   97   3.80 +/- 1.40  39.603% * 77.3256% (0.31 10.00   4.69  15.27) =  87.099%  kept
          QG2   ILE  103 - HB2   PHE   97   4.53 +/- 0.94  25.690% * 11.6522% (0.25  1.00   3.73   2.29) =   8.514%  kept
          QD2   LEU   40 - HB2   PHE   97   5.33 +/- 1.15  19.380% *  7.3059% (0.38  1.00   1.55   1.65) =   4.027%  kept
          QD1   ILE  119 - HB2   PHE   97  10.31 +/- 3.06   3.523% *  3.3004% (0.61  1.00   0.43   1.48) =   0.331%  kept
          QD1   LEU   67 - HB2   PHE   97  10.63 +/- 3.45   4.884% *  0.0855% (0.34  1.00   0.02   0.02) =   0.012%
          HB    VAL   75 - HB2   PHE   97  12.60 +/- 1.71   1.538% *  0.2370% (0.95  1.00   0.02   0.02) =   0.010%
          QG2   VAL  108 - HB2   PHE   97   8.72 +/- 1.08   4.855% *  0.0496% (0.20  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  74 - HB2   PHE   97  16.54 +/- 1.66   0.528% *  0.0439% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.331, support = 1.76, residual support = 4.79:
        T QD2   LEU   40 - HB3   PHE   97   5.51 +/- 1.28  21.501% * 72.0442% (0.36 10.00   1.24   1.65) =  67.132%  kept
          HB2   LEU  104 - HB3   PHE   97   4.22 +/- 1.40  33.507% * 15.5811% (0.29  1.00   3.25  15.27) =  22.627%  kept
          QG2   ILE  103 - HB3   PHE   97   4.47 +/- 1.02  28.070% *  7.7617% (0.24  1.00   2.01   2.29) =   9.442%  kept
          QD1   ILE  119 - HB3   PHE   97  10.25 +/- 3.17   4.173% *  4.0976% (0.57  1.00   0.44   1.48) =   0.741%  kept
          QD1   LEU   67 - HB3   PHE   97  10.74 +/- 3.39   6.459% *  0.1059% (0.32  1.00   0.02   0.02) =   0.030%
          HB    VAL   75 - HB3   PHE   97  12.63 +/- 1.44   1.205% *  0.2937% (0.89  1.00   0.02   0.02) =   0.015%
          QG2   VAL  108 - HB3   PHE   97   8.50 +/- 1.00   4.578% *  0.0614% (0.19  1.00   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HB3   PHE   97  16.60 +/- 1.64   0.507% *  0.0544% (0.17  1.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.16 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   2.44 +/- 0.16  98.563% * 99.8821% (0.87  10.0 10.00   2.74  62.23) =  99.999%  kept
          HZ3   TRP   87 - HB3   PHE   97  14.88 +/- 6.23   1.309% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB3   PHE   97  23.58 +/- 2.10   0.128% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.61, residual support = 59.7:
          HN    ASP- 105 - HB3   PHE   97   2.85 +/- 0.88  98.688% * 99.0981% (0.46   5.61  59.75) =  99.994%  kept
          HN    ALA   88 - HB3   PHE   97  19.73 +/- 3.98   0.638% *  0.6296% (0.82   0.02   0.02) =   0.004%
          HN    PHE   55 - HB3   PHE   97  19.03 +/- 2.63   0.674% *  0.2724% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.16, residual support = 62.2:
      O   HN    PHE   97 - HB3   PHE   97   2.75 +/- 0.59  97.254% * 99.8692% (0.85  10.0   5.16  62.23) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  11.58 +/- 1.63   1.789% *  0.0999% (0.85   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB3   PHE   97  14.89 +/- 1.90   0.957% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.763, support = 2.0, residual support = 47.6:
          HB3   ASP- 105 - HB3   PHE   97   3.34 +/- 1.00  63.010% * 44.4589% (0.72  1.00   2.23  59.75) =  75.513%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.66 +/- 1.18  22.646% * 34.5149% (0.93  1.00   1.35  11.34) =  21.070%  kept
          HB    ILE  103 - HB3   PHE   97   7.20 +/- 1.15   7.514% * 16.4170% (0.65  1.00   0.92   2.29) =   3.325%  kept
        T HB3   PRO   58 - HB3   PHE   97  16.74 +/- 4.38   1.110% *  1.1595% (0.21 10.00   0.02   0.02) =   0.035%
          QB    LYS+  33 - HB3   PHE   97  15.48 +/- 1.95   0.969% *  0.4518% (0.82  1.00   0.02   0.02) =   0.012%
          HB    ILE   56 - HB3   PHE   97  14.61 +/- 2.55   0.895% *  0.4518% (0.82  1.00   0.02   0.02) =   0.011%
          HB3   LYS+  38 - HB3   PHE   97  14.68 +/- 1.39   0.871% *  0.3782% (0.69  1.00   0.02   0.02) =   0.009%
          HB3   GLN   30 - HB3   PHE   97  14.67 +/- 1.98   0.924% *  0.2740% (0.50  1.00   0.02   0.02) =   0.007%
          HG3   PRO   68 - HB3   PHE   97  16.88 +/- 3.81   0.742% *  0.3369% (0.61  1.00   0.02   0.02) =   0.007%
          QB    LYS+  81 - HB3   PHE   97  20.69 +/- 2.31   0.282% *  0.5026% (0.91  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HB3   PHE   97  21.04 +/- 3.30   0.338% *  0.3782% (0.69  1.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - HB3   PHE   97  22.15 +/- 1.59   0.214% *  0.4808% (0.87  1.00   0.02   0.02) =   0.003%
          HB2   MET   92 - HB3   PHE   97  16.93 +/- 1.12   0.487% *  0.1955% (0.36  1.00   0.02   0.02) =   0.003%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.359, support = 3.63, residual support = 25.9:
          HG12  ILE  103 - HA    LEU   98   4.22 +/- 1.15  46.495% * 53.0245% (0.25   4.73  29.89) =  70.220%  kept
          HB    VAL   41 - HA    LEU   98   6.19 +/- 1.93  25.410% * 24.4416% (0.38   1.45  26.53) =  17.689%  kept
          QB    LYS+ 102 - HA    LEU   98   5.52 +/- 0.64  22.172% * 18.9344% (0.98   0.43   1.96) =  11.957%  kept
          HB2   LEU   71 - HA    LEU   98  12.60 +/- 3.00   2.858% *  0.8966% (1.00   0.02   0.02) =   0.073%
          QB    LYS+  65 - HA    LEU   98  16.73 +/- 2.76   0.949% *  0.8986% (1.00   0.02   0.02) =   0.024%
          QB    LYS+  66 - HA    LEU   98  16.64 +/- 2.77   1.051% *  0.5088% (0.57   0.02   0.02) =   0.015%
          HG2   PRO   93 - HA    LEU   98  18.69 +/- 0.63   0.601% *  0.7506% (0.84   0.02   0.02) =   0.013%
          HB3   GLN   17 - HA    LEU   98  20.82 +/- 2.77   0.463% *  0.5450% (0.61   0.02   0.02) =   0.007%
    Distance limit 3.98 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.672, support = 2.97, residual support = 27.5:
          HA    ILE  103 - HA    LEU   98   2.52 +/- 1.19  69.563% * 70.5122% (0.73   2.99  29.89) =  87.935%  kept
          HA    LEU  104 - HA    LEU   98   4.39 +/- 0.52  26.539% * 25.3009% (0.28   2.80  10.08) =  12.038%  kept
          HA    ASP-  44 - HA    LEU   98  11.95 +/- 0.82   0.852% *  0.5826% (0.90   0.02   0.02) =   0.009%
          HA    THR   39 - HA    LEU   98  10.50 +/- 1.18   1.349% *  0.1806% (0.28   0.02   0.02) =   0.004%
          HA    ASP-  86 - HA    LEU   98  20.01 +/- 5.58   0.514% *  0.4717% (0.73   0.02   0.02) =   0.004%
          HB    THR   77 - HA    LEU   98  18.30 +/- 2.23   0.312% *  0.5426% (0.84   0.02   0.02) =   0.003%
          HA    SER   85 - HA    LEU   98  22.13 +/- 4.27   0.266% *  0.5426% (0.84   0.02   0.02) =   0.003%
          HA    GLU-  14 - HA    LEU   98  22.55 +/- 2.56   0.147% *  0.4203% (0.65   0.02   0.02) =   0.001%
          HA    MET   11 - HA    LEU   98  27.92 +/- 3.23   0.088% *  0.5997% (0.92   0.02   0.02) =   0.001%
          HA    GLU-  79 - HA    LEU   98  20.76 +/- 3.09   0.202% *  0.2216% (0.34   0.02   0.02) =   0.001%
          HA    ALA   12 - HA    LEU   98  26.21 +/- 3.44   0.084% *  0.4965% (0.76   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    LEU   98  25.91 +/- 2.23   0.084% *  0.1286% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.1, residual support = 6.39:
          HN    ASP- 105 - HA    LEU   98   4.15 +/- 0.60  98.482% * 99.8069% (0.95   4.10   6.39) =  99.997%  kept
          HN    ALA   88 - HA    LEU   98  20.26 +/- 4.77   1.518% *  0.1931% (0.38   0.02   0.02) =   0.003%
    Distance limit 4.02 A violated in 1 structures by 0.27 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.33, residual support = 18.2:
      O   HN    LYS+  99 - HA    LEU   98   2.33 +/- 0.11  94.403% * 99.7964% (0.80  10.0   4.33  18.22) =  99.995%  kept
          HE1   HIS  122 - HA    LEU   98  13.60 +/- 7.17   4.642% *  0.0905% (0.73   1.0   0.02   0.02) =   0.004%
          HN    ASN   35 - HA    LEU   98  11.85 +/- 1.71   0.843% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.79 +/- 2.34   0.113% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.61, residual support = 10.1:
          HN    LEU  104 - HA    LEU   98   2.47 +/- 1.02  98.258% * 99.6376% (0.92   3.61  10.08) =  99.994%  kept
          HN    PHE   72 - HA    LEU   98  12.69 +/- 1.87   1.742% *  0.3624% (0.61   0.02   0.02) =   0.006%
    Distance limit 3.48 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.05, residual support = 77.1:
      O   HN    LEU   98 - HA    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.05  77.09) = 100.000%  kept
    Distance limit 3.68 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 = 0.455, support = 3.51, residual support = 27.2:
        T HB    VAL   41 - QB    LEU   98   4.05 +/- 2.39  37.796% * 68.0305% (0.42 10.00   3.55  26.53) =  76.943%  kept
          HG12  ILE  103 - QB    LEU   98   3.01 +/- 1.08  36.791% * 17.2491% (0.56  1.00   3.82  29.89) =  18.990%  kept
          HB    ILE  103 - QB    LEU   98   4.24 +/- 0.98  18.188% *  6.5787% (0.60  1.00   1.37  29.89) =   3.581%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.32 +/- 0.86   1.868% *  4.6390% (0.27 10.00   0.22   0.02) =   0.259%  kept
          HB3   ASP- 105 - QB    LEU   98   7.10 +/- 0.79   3.075% *  2.2316% (0.53  1.00   0.53   6.39) =   0.205%  kept
        T QB    LYS+  33 - QB    LEU   98  10.90 +/- 1.51   0.917% *  0.6803% (0.42 10.00   0.02   0.02) =   0.019%
          HG3   PRO   68 - QB    LEU   98  15.89 +/- 3.13   0.315% *  0.1015% (0.63  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QB    LEU   98  16.82 +/- 3.70   0.223% *  0.1253% (0.78  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  14.62 +/- 2.34   0.362% *  0.0431% (0.27  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.64 +/- 1.55   0.097% *  0.1253% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  17.09 +/- 2.57   0.189% *  0.0477% (0.30  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  21.40 +/- 2.78   0.076% *  0.0904% (0.56  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  20.22 +/- 2.03   0.103% *  0.0575% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.267, support = 3.94, residual support = 18.2:
          HN    LYS+  99 - QB    LEU   98   3.12 +/- 0.46  88.972% * 97.4193% (0.27   3.95  18.22) =  99.901%  kept
          HN    ASN   35 - QB    LEU   98   9.92 +/- 2.32   4.470% *  1.3353% (0.72   0.02   0.02) =   0.069%
          HE1   HIS  122 - QB    LEU   98  12.92 +/- 5.84   5.707% *  0.3986% (0.22   0.02   0.02) =   0.026%
          HN    ALA   12 - QB    LEU   98  22.94 +/- 2.58   0.326% *  0.6000% (0.33   0.02   0.02) =   0.002%
          HN    GLU-  14 - QB    LEU   98  19.54 +/- 2.17   0.524% *  0.2467% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 3.25, residual support = 26.5:
          HN    VAL   41 - QB    LEU   98   4.63 +/- 1.49 100.000% *100.0000% (0.85   3.25  26.53) = 100.000%  kept
    Distance limit 4.09 A violated in 5 structures by 0.78 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.88, residual support = 77.1:
      O   HN    LEU   98 - QB    LEU   98   2.79 +/- 0.34 100.000% *100.0000% (0.85  10.0   4.88  77.09) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 77.1:
      O   HA    LEU   98 - HG    LEU   98   3.17 +/- 0.53 100.000% *100.0000% (0.69  10.0   4.04  77.09) = 100.000%  kept
    Distance limit 4.11 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 = 77.1:
          HN    LEU   98 - HG    LEU   98   3.64 +/- 0.86 100.000% *100.0000% (0.98   3.73  77.09) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.416, support = 3.48, residual support = 23.5:
        T HA    ILE  103 - QD1   LEU   98   2.80 +/- 0.69  77.636% * 25.2084% (0.25 10.00   4.26  29.89) =  67.670%  kept
        T HA    LEU  104 - QD1   LEU   98   5.81 +/- 0.80  12.886% * 72.0598% (0.76 10.00   1.87  10.08) =  32.107%  kept
          HA    ASP-  86 - QD1   LEU   98  14.93 +/- 5.37   2.589% *  2.3749% (1.00  1.00   0.47   0.02) =   0.213%  kept
          HA    ASP-  44 - QD1   LEU   98   9.56 +/- 1.79   3.601% *  0.0416% (0.41  1.00   0.02   0.02) =   0.005%
          HB    THR   77 - QD1   LEU   98  13.91 +/- 2.98   1.291% *  0.0345% (0.34  1.00   0.02   0.02) =   0.002%
          HA    GLU-  14 - QD1   LEU   98  18.68 +/- 2.45   0.407% *  0.1009% (1.00  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QD1   LEU   98  16.81 +/- 4.49   1.145% *  0.0345% (0.34  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU   98  21.48 +/- 2.63   0.230% *  0.1002% (0.99  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   LEU   98  22.75 +/- 2.68   0.215% *  0.0453% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.738, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  10.93 +/- 3.31  33.313% * 33.8723% (0.84   0.02   0.02) =  40.542%  kept
          QD    PHE   59 - QD1   LEU   98  11.63 +/- 2.22  26.994% * 33.8723% (0.84   0.02   0.02) =  32.851%  kept
          HE21  GLN   30 - QD1   LEU   98  10.60 +/- 2.68  33.746% * 19.7390% (0.49   0.02   0.02) =  23.932%  kept
          HH2   TRP   49 - QD1   LEU   98  19.49 +/- 1.87   5.947% * 12.5164% (0.31   0.02   0.02) =   2.674%  kept
    Distance limit 3.65 A violated in 19 structures by 4.73 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.686, support = 3.21, residual support = 17.7:
        T QD1   LEU  104 - HB2   LYS+  99   3.32 +/- 2.13  67.025% * 98.4796% (0.69 10.00   3.21  17.77) =  99.900%  kept
        T QD1   LEU   63 - HB2   LYS+  99  12.22 +/- 2.09  11.230% *  0.2212% (0.15 10.00   0.02   0.02) =   0.038%
        T QG2   ILE   89 - HB2   LYS+  99  18.17 +/- 2.68   2.086% *  0.8117% (0.57 10.00   0.02   0.02) =   0.026%
        T QD1   LEU   73 - HB2   LYS+  99  12.11 +/- 2.14   5.145% *  0.2212% (0.15 10.00   0.02   0.02) =   0.017%
          QG1   VAL   83 - HB2   LYS+  99  16.48 +/- 4.15   4.732% *  0.1430% (1.00  1.00   0.02   0.02) =   0.010%
          QD2   LEU  115 - HB2   LYS+  99  14.00 +/- 2.00   6.678% *  0.0589% (0.41  1.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB2   LYS+  99  17.77 +/- 3.80   3.104% *  0.0643% (0.45  1.00   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 2 structures by 0.61 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.33, residual support = 10.1:
        T QD2   LEU   40 - HB2   LYS+  99   3.92 +/- 1.10  61.190% * 92.3629% (0.95 10.00   2.35  10.27) =  98.458%  kept
          QG2   ILE  103 - HB2   LYS+  99   7.01 +/- 0.68  11.103% *  5.8486% (1.00  1.00   1.20   0.12) =   1.131%  kept
          QD1   ILE  103 - HB2   LYS+  99   8.06 +/- 1.37  15.503% *  1.4715% (0.49  1.00   0.62   0.12) =   0.397%  kept
          QD1   LEU   67 - HB2   LYS+  99  11.90 +/- 2.37   3.176% *  0.0942% (0.97  1.00   0.02   0.02) =   0.005%
          QD2   LEU   71 - HB2   LYS+  99  10.73 +/- 2.63   4.905% *  0.0592% (0.61  1.00   0.02   0.02) =   0.005%
          QG2   ILE  119 - HB2   LYS+  99  13.70 +/- 3.58   2.436% *  0.0301% (0.31  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB2   LYS+  99  18.72 +/- 2.52   0.626% *  0.0968% (0.99  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  99  15.56 +/- 1.24   1.060% *  0.0366% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.81, residual support = 173.6:
      O   HN    LYS+  99 - HB2   LYS+  99   3.15 +/- 0.25  82.721% * 99.4797% (0.31  10.0   4.81 173.61) =  99.974%  kept
          HE1   HIS  122 - HB2   LYS+  99  13.19 +/- 7.39  12.927% *  0.0804% (0.25   1.0   0.02   0.02) =   0.013%
          HN    ASN   35 - HB2   LYS+  99  10.64 +/- 1.84   3.781% *  0.2692% (0.84   1.0   0.02   0.02) =   0.012%
          HN    ALA   12 - HB2   LYS+  99  25.68 +/- 4.15   0.243% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.67 +/- 3.05   0.327% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.24, residual support = 173.6:
      O   HN    LYS+  99 - HA    LYS+  99   2.89 +/- 0.03  90.507% * 99.7964% (0.80  10.0   5.24 173.61) =  99.993%  kept
          HE1   HIS  122 - HA    LYS+  99  14.04 +/- 7.01   5.375% *  0.0905% (0.73   1.0   0.02   0.02) =   0.005%
          HN    ASN   35 - HA    LYS+  99   9.29 +/- 1.93   3.800% *  0.0425% (0.34   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LYS+  99  20.61 +/- 3.03   0.318% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 38.8:
      O   HN    GLU- 100 - HA    LYS+  99   2.22 +/- 0.06 100.000% *100.0000% (0.84  10.0   6.83  38.83) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.16, residual support = 183.7:
      O   QE    LYS+  99 - HG2   LYS+  99   2.72 +/- 0.55  43.165% * 79.1619% (0.99  10.0   5.32 173.61) =  78.673%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.65 +/- 0.50  44.961% * 20.5905% (0.26  10.0   4.58 221.00) =  21.315%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.58 +/- 2.01   3.537% *  0.0756% (0.95   1.0   0.02   0.02) =   0.006%
          QE    LYS+ 102 - HG2   LYS+  99   9.53 +/- 1.53   1.635% *  0.0610% (0.76   1.0   0.02   1.48) =   0.002%
          QE    LYS+  99 - HG2   LYS+  38   7.45 +/- 1.55   3.250% *  0.0216% (0.27   1.0   0.02   0.02) =   0.002%
          HB2   PHE   97 - HG2   LYS+  99   9.05 +/- 0.93   1.095% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HG2   LYS+  38  13.54 +/- 2.91   1.374% *  0.0166% (0.21   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  99  16.37 +/- 3.39   0.557% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.21 +/- 1.73   0.250% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.05 +/- 1.70   0.177% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.834, support = 7.04, residual support = 173.1:
      O T HA    LYS+  99 - HG2   LYS+  99   2.66 +/- 0.35  48.791% * 98.1146% (0.84  10.0 10.00   7.06 173.61) =  99.711%  kept
          HA    LEU   40 - HG2   LYS+  99   5.35 +/- 1.69  12.913% *  0.9187% (0.57   1.0  1.00   0.28  10.27) =   0.247%  kept
          HA    ASN   35 - HG2   LYS+  38   4.22 +/- 1.63  26.876% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.017%
          HA    ASN   35 - HG2   LYS+  99   7.96 +/- 2.14   4.977% *  0.1111% (0.95   1.0  1.00   0.02   0.02) =   0.012%
        T HA    LYS+  99 - HG2   LYS+  38   8.98 +/- 1.54   1.910% *  0.2674% (0.23   1.0 10.00   0.02   0.02) =   0.011%
          HA    LEU  123 - HG2   LYS+  99  17.07 +/- 6.71   0.447% *  0.1172% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   LYS+  38   8.10 +/- 0.58   1.967% *  0.0181% (0.15   1.0  1.00   0.02   0.59) =   0.001%
          HA    LEU  123 - HG2   LYS+  38  20.40 +/- 6.51   0.395% *  0.0319% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  17.95 +/- 3.11   0.259% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  23.34 +/- 2.70   0.077% *  0.1134% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  21.58 +/- 4.70   0.161% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  15.33 +/- 4.32   0.568% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  22.14 +/- 3.85   0.134% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  22.52 +/- 1.91   0.095% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  18.76 +/- 5.37   0.252% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.43 +/- 2.93   0.047% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  24.68 +/- 4.22   0.080% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  27.68 +/- 2.60   0.052% *  0.0156% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.105, support = 4.83, residual support = 18.0:
          HA    SER   37 - HA    LYS+  38   5.21 +/- 0.05  30.009% * 42.9897% (0.05  1.00   5.55  20.77) =  86.367%  kept
          HA    LEU   40 - HA    LYS+  38   6.18 +/- 0.29  18.678% *  4.5191% (0.05  1.00   0.56   0.59) =   5.651%  kept
          HA    LEU   40 - HA    GLU- 100   6.92 +/- 2.28  22.245% *  2.6865% (0.80  1.00   0.02   0.02) =   4.001%  kept
          HA    SER   37 - HA    GLU- 100   9.19 +/- 2.77  11.930% *  2.5640% (0.76  1.00   0.02   0.02) =   2.048%  kept
        T HA    PRO   58 - HA    GLU- 100  24.11 +/- 4.27   0.513% * 30.9703% (0.92 10.00   0.02   0.02) =   1.063%  kept
          HA    GLU-  15 - HA    GLU- 100  18.22 +/- 4.13   1.090% *  3.1737% (0.95  1.00   0.02   0.02) =   0.232%  kept
          HA    VAL   42 - HA    GLU- 100  11.55 +/- 1.59   2.938% *  0.7469% (0.22  1.00   0.02   0.02) =   0.147%  kept
          HA    SER   13 - HA    GLU- 100  21.89 +/- 4.19   0.604% *  3.1737% (0.95  1.00   0.02   0.02) =   0.128%  kept
          HA    GLN   17 - HA    GLU- 100  20.30 +/- 4.17   0.666% *  2.5640% (0.76  1.00   0.02   0.02) =   0.114%  kept
        T HA    PRO   58 - HA    LYS+  38  23.20 +/- 3.75   0.592% *  1.8714% (0.06 10.00   0.02   0.02) =   0.074%
          HA    THR   46 - HA    GLU- 100  23.75 +/- 1.45   0.320% *  2.8023% (0.84  1.00   0.02   0.02) =   0.060%
          HA    LEU  123 - HA    GLU- 100  20.57 +/- 6.37   0.766% *  0.6639% (0.20  1.00   0.02   0.02) =   0.034%
          HA    GLU-  15 - HA    LYS+  38  14.71 +/- 4.07   2.235% *  0.1918% (0.06  1.00   0.02   0.02) =   0.029%
          HA    SER   13 - HA    LYS+  38  18.39 +/- 4.93   1.355% *  0.1918% (0.06  1.00   0.02   0.02) =   0.017%
          HA    GLN   17 - HA    LYS+  38  17.55 +/- 3.52   1.065% *  0.1549% (0.05  1.00   0.02   0.02) =   0.011%
          HA    ILE   56 - HA    GLU- 100  25.83 +/- 2.38   0.264% *  0.4540% (0.14  1.00   0.02   0.02) =   0.008%
          HA    VAL   42 - HA    LYS+  38  12.45 +/- 0.55   2.270% *  0.0451% (0.01  1.00   0.02   0.02) =   0.007%
          HA    LEU  123 - HA    LYS+  38  19.48 +/- 5.94   1.880% *  0.0401% (0.01  1.00   0.02   0.02) =   0.005%
          HA    THR   46 - HA    LYS+  38  24.56 +/- 0.88   0.292% *  0.1693% (0.05  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HA    LYS+  38  25.79 +/- 2.66   0.288% *  0.0274% (0.01  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 3.85, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.24 +/- 0.49  87.864% * 99.9940% (1.00  10.0   3.85  14.93) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38   8.26 +/- 2.61  12.136% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.36, residual support = 75.5:
      O   HN    GLU- 100 - HA    GLU- 100   2.25 +/- 0.13  88.109% * 99.9940% (0.84  10.0   6.36  75.48) =  99.999%  kept
          HN    GLU- 100 - HA    LYS+  38   6.10 +/- 2.28  11.891% *  0.0060% (0.05   1.0   0.02   0.02) =   0.001%
    Distance limit 3.00 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 = 0.807, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  11.75 +/- 2.91  13.168% * 28.3278% (1.00 10.00   0.02   0.02) =  41.396%  kept
        T HA    GLN   32 - HB2   GLU- 100  10.97 +/- 3.99  22.899% *  8.7627% (0.31 10.00   0.02   0.02) =  22.268%  kept
        T HA    GLU-  29 - HB2   GLU- 100  15.30 +/- 3.64   6.902% * 27.8286% (0.98 10.00   0.02   0.02) =  21.315%  kept
        T HA    GLN  116 - HB2   GLU- 100  22.32 +/- 2.45   2.397% * 23.7140% (0.84 10.00   0.02   0.02) =   6.309%  kept
          HA    VAL   70 - HB2   GLU- 100  14.09 +/- 4.34  12.405% *  2.3714% (0.84  1.00   0.02   0.02) =   3.265%  kept
          HB2   SER   82 - HB2   GLU- 100  25.38 +/- 6.27   7.177% *  2.6208% (0.92  1.00   0.02   0.02) =   2.087%  kept
          HB2   SER   37 - HB2   GLU- 100   9.86 +/- 2.96  26.426% *  0.5618% (0.20  1.00   0.02   0.02) =   1.648%  kept
          HA    VAL   18 - HB2   GLU- 100  19.40 +/- 3.44   3.801% *  2.7399% (0.97  1.00   0.02   0.02) =   1.156%  kept
          HA    ALA   88 - HB2   GLU- 100  28.07 +/- 4.68   2.326% *  0.9684% (0.34  1.00   0.02   0.02) =   0.250%  kept
          HA    SER   48 - HB2   GLU- 100  29.36 +/- 2.25   1.376% *  1.6074% (0.57  1.00   0.02   0.02) =   0.245%  kept
          HD2   PRO   52 - HB2   GLU- 100  30.27 +/- 1.99   1.123% *  0.4972% (0.18  1.00   0.02   0.02) =   0.062%
    Distance limit 3.48 A violated in 17 structures by 4.28 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.24, residual support = 38.7:
          HG2   LYS+  99 - HG2   GLU- 100   3.55 +/- 0.71  63.987% * 97.4823% (0.45   5.25  38.83) =  99.761%  kept
          HG2   LYS+  38 - HG2   GLU- 100   7.04 +/- 2.87  28.324% *  0.4691% (0.57   0.02   0.02) =   0.212%  kept
          HB2   LEU   31 - HG2   GLU- 100  12.14 +/- 3.48   5.412% *  0.1451% (0.18   0.02   0.02) =   0.013%
          QG2   THR   77 - HG2   GLU- 100  19.79 +/- 1.93   0.444% *  0.8121% (0.98   0.02   0.02) =   0.006%
          QB    ALA   88 - HG2   GLU- 100  24.49 +/- 4.46   0.318% *  0.7430% (0.90   0.02   0.02) =   0.004%
          QG2   THR   23 - HG2   GLU- 100  19.43 +/- 3.20   1.361% *  0.1640% (0.20   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HG2   GLU- 100  27.12 +/- 2.71   0.153% *  0.1845% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.08, residual support = 38.7:
          HG2   LYS+  99 - HG3   GLU- 100   3.20 +/- 0.73  69.591% * 96.7883% (0.45   4.09  38.83) =  99.776%  kept
          HG2   LYS+  38 - HG3   GLU- 100   7.07 +/- 2.34  21.735% *  0.5984% (0.57   0.02   0.02) =   0.193%  kept
          HB2   LEU   31 - HG3   GLU- 100  12.31 +/- 3.45   6.973% *  0.1851% (0.18   0.02   0.02) =   0.019%
          QG2   THR   77 - HG3   GLU- 100  19.63 +/- 1.76   0.385% *  1.0359% (0.98   0.02   0.02) =   0.006%
          QB    ALA   88 - HG3   GLU- 100  24.33 +/- 4.39   0.241% *  0.9478% (0.90   0.02   0.02) =   0.003%
          QG2   THR   23 - HG3   GLU- 100  19.62 +/- 3.10   0.936% *  0.2092% (0.20   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HG3   GLU- 100  26.93 +/- 2.62   0.138% *  0.2353% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.13 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   3.12 +/- 0.71  70.598% * 99.7364% (1.00  10.0   4.45  75.48) =  99.991%  kept
          HA    LYS+  38 - HG3   GLU- 100   6.27 +/- 2.67  28.649% *  0.0198% (0.20   1.0   0.02   0.02) =   0.008%
          HA    VAL   83 - HG3   GLU- 100  24.08 +/- 5.83   0.476% *  0.1000% (1.00   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HG3   GLU- 100  25.71 +/- 3.67   0.148% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.51 +/- 2.55   0.129% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.07 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   3.26 +/- 0.49 100.000% *100.0000% (0.97   4.26  75.48) = 100.000%  kept
    Distance limit 4.15 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 = 6.45, residual support = 75.5:
          HN    GLU- 100 - HG2   GLU- 100   3.29 +/- 0.81 100.000% *100.0000% (0.84   6.45  75.48) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.81, residual support = 159.5:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.56 +/- 0.19  88.464% * 99.6342% (1.00  10.0   4.81 159.55) =  99.994%  kept
          HN    GLU-  36 - QB    LYS+ 102  12.25 +/- 2.49   1.553% *  0.0964% (0.97   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB    VAL   41   8.92 +/- 2.14   3.130% *  0.0448% (0.45   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HB    VAL   41   8.17 +/- 0.43   2.970% *  0.0272% (0.27   1.0   0.02   0.27) =   0.001%
          HN    THR   39 - QB    LYS+ 102  11.38 +/- 1.35   1.253% *  0.0606% (0.61   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  17.08 +/- 5.41   0.881% *  0.0646% (0.65   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB    VAL   41  11.10 +/- 1.07   1.235% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB    VAL   41  17.04 +/- 4.27   0.514% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 23.6:
          HN    ILE  103 - QB    LYS+ 102   3.06 +/- 0.49  88.826% * 98.9457% (1.00   5.45  23.65) =  99.980%  kept
          HN    ILE  103 - HB    VAL   41   8.26 +/- 2.13   8.298% *  0.1630% (0.45   0.02   0.02) =   0.015%
          HN    GLN   90 - QB    LYS+ 102  21.48 +/- 3.39   0.340% *  0.3433% (0.95   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  17.86 +/- 0.74   0.508% *  0.1909% (0.53   0.02   0.02) =   0.001%
          HN    GLN   90 - HB    VAL   41  21.10 +/- 1.89   0.341% *  0.1542% (0.43   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  17.84 +/- 1.19   0.549% *  0.0858% (0.24   0.02   0.02) =   0.001%
          HN    SER   82 - QB    LYS+ 102  20.36 +/- 5.11   0.513% *  0.0808% (0.22   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  19.47 +/- 3.54   0.625% *  0.0363% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 4.56, residual support = 158.9:
          HN    LYS+ 102 - HG2   LYS+ 102   3.63 +/- 0.29  84.316% * 95.7541% (0.73   4.58 159.55) =  99.577%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.14 +/- 1.61   8.835% *  3.7281% (0.38   0.35   0.02) =   0.406%  kept
          HN    GLU-  36 - HG2   LYS+ 102  13.68 +/- 3.11   3.357% *  0.3030% (0.53   0.02   0.02) =   0.013%
          HN    THR   39 - HG2   LYS+ 102  12.92 +/- 1.63   2.369% *  0.1008% (0.18   0.02   0.02) =   0.003%
          HD1   TRP   87 - HG2   LYS+ 102  20.01 +/- 6.14   1.123% *  0.1140% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.643, support = 0.02, residual support = 0.02:
        T QB    SER   85 - HA    ILE  103  19.31 +/- 4.41   5.679% * 19.9520% (0.90 10.00   0.02   0.02) =  29.262%  kept
        T QB    SER  117 - HA    ILE  103  14.56 +/- 2.45   8.554% *  7.5887% (0.34 10.00   0.02   0.02) =  16.763%  kept
        T QB    SER   48 - HA    ILE  103  21.24 +/- 1.93   2.749% * 19.2979% (0.87 10.00   0.02   0.02) =  13.700%  kept
        T HA2   GLY   51 - HA    ILE  103  25.76 +/- 2.06   1.595% * 13.4936% (0.61 10.00   0.02   0.02) =   5.559%  kept
          HB    THR   94 - HA    ILE  103  12.80 +/- 0.95  11.797% *  1.7002% (0.76  1.00   0.02   0.02) =   5.179%  kept
          HA    LYS+ 121 - HA    ILE  103  15.17 +/- 5.70  10.063% *  1.5282% (0.69  1.00   0.02   0.02) =   3.971%  kept
        T QB    SER   48 - HA    THR   39  24.47 +/- 2.92   2.114% *  6.3756% (0.29 10.00   0.02   0.02) =   3.481%  kept
          HA    ALA  120 - HA    ILE  103  17.57 +/- 4.01   5.031% *  2.2050% (0.99  1.00   0.02   0.02) =   2.865%  kept
        T HD2   PRO   52 - HA    ILE  103  23.28 +/- 1.27   1.967% *  5.5474% (0.25 10.00   0.02   0.02) =   2.818%  kept
        T QB    SER   85 - HA    THR   39  25.68 +/- 3.06   1.620% *  6.5917% (0.30 10.00   0.02   0.02) =   2.758%  kept
          HA2   GLY   16 - HA    THR   39  14.38 +/- 6.02  15.254% *  0.6592% (0.30  1.00   0.02   0.02) =   2.597%  kept
        T QB    SER  117 - HA    THR   39  18.93 +/- 2.49   4.004% *  2.5072% (0.11 10.00   0.02   0.02) =   2.592%  kept
          HA    LYS+  65 - HA    ILE  103  18.79 +/- 2.84   3.906% *  1.8582% (0.84  1.00   0.02   0.02) =   1.874%  kept
        T HA2   GLY   51 - HA    THR   39  29.14 +/- 3.44   1.284% *  4.4580% (0.20 10.00   0.02   0.02) =   1.479%  kept
          HA2   GLY   16 - HA    ILE  103  22.08 +/- 4.08   2.586% *  1.9952% (0.90  1.00   0.02   0.02) =   1.332%  kept
          HA    LYS+  65 - HA    THR   39  15.71 +/- 2.41   6.533% *  0.6139% (0.28  1.00   0.02   0.02) =   1.036%  kept
          HA    ALA  120 - HA    THR   39  18.75 +/- 4.70   4.963% *  0.7285% (0.33  1.00   0.02   0.02) =   0.934%  kept
          HA    LYS+ 121 - HA    THR   39  17.59 +/- 5.24   6.152% *  0.5049% (0.23  1.00   0.02   0.02) =   0.802%  kept
        T HD2   PRO   52 - HA    THR   39  27.70 +/- 2.05   1.205% *  1.8327% (0.08 10.00   0.02   0.02) =   0.570%  kept
          HB    THR   94 - HA    THR   39  20.18 +/- 0.78   2.945% *  0.5617% (0.25  1.00   0.02   0.02) =   0.427%  kept
    Distance limit 3.21 A violated in 20 structures by 5.98 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.62, residual support = 37.6:
      O   HN    LEU  104 - HA    ILE  103   2.35 +/- 0.24  96.367% * 99.8797% (0.92  10.0   6.62  37.64) =  99.999%  kept
          HN    PHE   72 - HA    ILE  103  13.53 +/- 1.79   0.684% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    THR   39   9.58 +/- 2.04   1.926% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  11.74 +/- 1.38   1.023% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.349, support = 3.93, residual support = 37.5:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.03  76.072% * 70.9536% (0.33  10.0   3.93  38.54) =  93.366%  kept
          HN    LYS+ 102 - HA    ILE  103   5.15 +/- 0.32  13.655% * 28.0151% (0.65   1.0   4.00  23.65) =   6.617%  kept
          HN    THR   39 - HA    ILE  103  12.20 +/- 0.88   1.054% *  0.2148% (0.99   1.0   0.02   0.02) =   0.004%
          HD1   TRP   87 - HA    ILE  103  16.02 +/- 5.14   0.972% *  0.2162% (1.00   1.0   0.02   4.66) =   0.004%
          HN    GLU-  36 - HA    THR   39   8.40 +/- 0.32   3.077% *  0.0598% (0.28   1.0   0.02   0.85) =   0.003%
          HN    GLU-  36 - HA    ILE  103  14.38 +/- 1.74   0.708% *  0.1810% (0.84   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    THR   39  11.36 +/- 1.65   1.779% *  0.0463% (0.21   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ILE  103  16.28 +/- 3.64   0.697% *  0.1055% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA    ILE  103  17.36 +/- 2.93   0.537% *  0.0334% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.26 +/- 1.61   0.476% *  0.0348% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  23.73 +/- 4.19   0.173% *  0.0714% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.68 +/- 2.32   0.234% *  0.0429% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  17.85 +/- 3.19   0.481% *  0.0110% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.76 +/- 1.55   0.087% *  0.0142% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.26, residual support = 29.9:
        T QD1   LEU   98 - HA    ILE  103   2.80 +/- 0.69  88.665% * 99.6453% (0.41 10.00   4.26  29.89) =  99.989%  kept
          QG2   ILE   19 - HA    ILE  103  14.35 +/- 2.32   1.790% *  0.2418% (1.00  1.00   0.02   0.02) =   0.005%
          QG2   ILE   19 - HA    THR   39  11.15 +/- 3.76   5.264% *  0.0799% (0.33  1.00   0.02   0.02) =   0.005%
          QD1   LEU   98 - HA    THR   39   9.60 +/- 1.52   4.282% *  0.0329% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.473, support = 2.78, residual support = 9.0:
          HN    ASP- 105 - QG2   ILE  103   2.83 +/- 0.65  82.398% * 28.4767% (0.38   2.57   3.32) =  72.051%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.22 +/- 0.37  12.810% * 70.9932% (0.73   3.32  23.65) =  27.926%  kept
          HN    GLU-  36 - QG2   ILE  103  14.36 +/- 1.38   1.151% *  0.3102% (0.53   0.02   0.02) =   0.011%
          HD1   TRP   87 - QG2   ILE  103  12.46 +/- 3.92   2.174% *  0.1167% (0.20   0.02   4.66) =   0.008%
          HN    THR   39 - QG2   ILE  103  12.48 +/- 0.91   1.467% *  0.1032% (0.18   0.02   0.02) =   0.005%
    Distance limit 3.60 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.59, residual support = 37.6:
          HN    LEU  104 - QG2   ILE  103   2.77 +/- 0.62  98.429% * 99.9408% (0.90   6.59  37.64) =  99.999%  kept
          HN    PHE   72 - QG2   ILE  103  12.73 +/- 1.59   1.571% *  0.0592% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.03 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   2.45 +/- 0.42  98.738% * 99.8308% (1.00  10.0   6.73 138.77) =  99.999%  kept
          HN    GLN   90 - HB    ILE  103  19.99 +/- 3.25   0.336% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.28 +/- 0.98   0.496% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  20.23 +/- 4.66   0.429% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.222, support = 5.92, residual support = 133.2:
      O T HA    ILE  103 - HG12  ILE  103   2.55 +/- 0.48  89.101% * 56.2343% (0.20  10.0 10.00   5.98 138.77) =  94.471%  kept
          HA    LEU  104 - HG12  ILE  103   6.45 +/- 0.25   6.848% * 42.7445% (0.61   1.0  1.00   4.96  37.64) =   5.519%  kept
          HA    ASP-  86 - HG12  ILE  103  16.95 +/- 6.17   1.196% *  0.2250% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HA    ASP-  44 - HG12  ILE  103  11.48 +/- 1.37   1.373% *  0.0927% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HG12  ILE  103  16.41 +/- 2.73   0.574% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HG12  ILE  103  19.24 +/- 5.10   0.490% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG12  ILE  103  24.19 +/- 3.04   0.165% *  0.2250% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HG12  ILE  103  27.66 +/- 3.54   0.139% *  0.2235% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HG12  ILE  103  29.23 +/- 3.45   0.113% *  0.1011% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.91, residual support = 138.8:
          HN    ILE  103 - HG12  ILE  103   3.09 +/- 0.64  96.964% * 99.5117% (0.80   6.91 138.77) =  99.995%  kept
          HN    GLN   90 - HG12  ILE  103  19.04 +/- 3.45   0.783% *  0.2726% (0.76   0.02   0.02) =   0.002%
          HN    GLY  109 - HG12  ILE  103  15.20 +/- 1.73   1.264% *  0.1516% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  18.74 +/- 4.51   0.988% *  0.0642% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 138.8:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  98.041% * 99.2748% (0.58  10.0 10.00   4.30 138.77) =  99.997%  kept
        T HB3   LEU   71 - HG12  ILE  103  14.68 +/- 2.66   0.256% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HG12  ILE  103   8.45 +/- 1.20   1.029% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.74 +/- 1.41   0.493% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  19.94 +/- 2.75   0.087% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  20.33 +/- 3.27   0.095% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.585, support = 5.02, residual support = 138.8:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  66.543% * 32.5765% (0.39  10.0 10.00   4.62 138.77) =  52.356%  kept
      O T QG2   ILE  103 - HG12  ILE  103   2.92 +/- 0.33  29.535% * 66.7776% (0.80  10.0 10.00   5.47 138.77) =  47.635%  kept
        T QD2   LEU   71 - HG12  ILE  103  12.57 +/- 2.33   0.446% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HG12  ILE  103   7.80 +/- 1.24   2.228% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - HG12  ILE  103  13.19 +/- 2.85   0.463% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG12  ILE  103  12.63 +/- 1.91   0.425% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  17.18 +/- 1.86   0.144% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.40 +/- 2.56   0.217% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.75, residual support = 29.9:
          QD1   LEU   98 - HG12  ILE  103   2.56 +/- 0.81  98.994% * 99.7496% (0.72   5.75  29.89) =  99.997%  kept
          QG2   ILE   19 - HG12  ILE  103  14.66 +/- 2.39   1.006% *  0.2504% (0.52   0.02   0.02) =   0.003%
    Distance limit 3.80 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 = 0.747, support = 4.08, residual support = 138.8:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.02  57.068% * 82.5087% (0.84  10.0   3.97 138.77) =  86.560%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.45 +/- 0.37  42.258% * 17.2996% (0.18  10.0   4.81 138.77) =  13.439%  kept
          QD2   LEU   71 - HG13  ILE  103  12.80 +/- 2.23   0.359% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  15.19 +/- 2.27   0.192% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  16.98 +/- 1.63   0.123% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.46, residual support = 29.9:
          QD1   LEU   98 - HG13  ILE  103   2.92 +/- 0.60  98.951% * 99.4173% (0.90   2.46  29.89) =  99.994%  kept
          QG2   ILE   19 - HG13  ILE  103  14.78 +/- 2.25   1.049% *  0.5827% (0.65   0.02   0.02) =   0.006%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.62, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   ILE  103  12.89 +/- 2.67  25.213% * 30.1124% (0.77   0.02   0.02) =  34.131%  kept
          HD1   TRP   27 - QD1   ILE  103  11.78 +/- 3.88  36.160% * 17.5479% (0.45   0.02   0.02) =  28.527%  kept
          QD    PHE   59 - QD1   ILE  103  12.22 +/- 1.75  29.766% * 17.5479% (0.45   0.02   0.02) =  23.482%  kept
          HH2   TRP   49 - QD1   ILE  103  18.85 +/- 1.50   8.861% * 34.7918% (0.89   0.02   0.02) =  13.860%  kept
    Distance limit 4.12 A violated in 19 structures by 5.19 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.552, support = 0.918, residual support = 4.58:
          HE3   TRP   87 - QD1   ILE  103  10.03 +/- 6.26  36.401% * 60.4110% (0.52   1.04   4.66) =  79.247%  kept
          HN    TRP   87 - QD1   ILE  103  12.31 +/- 4.95  14.905% * 35.3875% (0.67   0.48   4.66) =  19.008%  kept
          HN    GLN   17 - QD1   ILE  103  18.75 +/- 3.27   9.864% *  1.7735% (0.80   0.02   0.02) =   0.630%  kept
          HD21  ASN   69 - QD1   ILE  103  16.66 +/- 2.48  11.863% *  1.4044% (0.63   0.02   0.02) =   0.600%  kept
          HN    ALA   61 - QD1   ILE  103  15.42 +/- 1.90  17.457% *  0.5685% (0.26   0.02   0.02) =   0.358%  kept
          HN    ALA   91 - QD1   ILE  103  15.52 +/- 2.71   9.510% *  0.4552% (0.21   0.02   0.02) =   0.156%  kept
    Distance limit 3.76 A violated in 14 structures by 4.33 A, kept.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 138.8:
          HN    ILE  103 - QD1   ILE  103   3.07 +/- 0.84  93.701% * 99.4064% (0.92   5.68 138.77) =  99.986%  kept
          HN    GLN   90 - QD1   ILE  103  15.16 +/- 3.22   1.963% *  0.3313% (0.87   0.02   0.02) =   0.007%
          HN    GLY  109 - QD1   ILE  103  12.33 +/- 1.49   2.725% *  0.1843% (0.49   0.02   0.02) =   0.005%
          HN    SER   82 - QD1   ILE  103  15.12 +/- 3.96   1.610% *  0.0780% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.723, support = 5.39, residual support = 138.1:
      O   HA    ILE  103 - HG13  ILE  103   2.87 +/- 0.40  85.152% * 92.0151% (0.73  10.0   5.40 138.77) =  99.293%  kept
          HA    LEU  104 - HG13  ILE  103   6.58 +/- 0.44   7.695% *  7.1682% (0.28   1.0   4.07  37.64) =   0.699%  kept
          HA    ASP-  44 - HG13  ILE  103  11.05 +/- 1.20   1.984% *  0.1136% (0.90   1.0   0.02   0.02) =   0.003%
          HA    ASP-  86 - HG13  ILE  103  16.39 +/- 5.98   1.383% *  0.0920% (0.73   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HG13  ILE  103  15.87 +/- 2.65   0.895% *  0.1058% (0.84   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HG13  ILE  103  18.62 +/- 4.87   0.654% *  0.1058% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HG13  ILE  103  18.57 +/- 3.27   0.784% *  0.0432% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.92 +/- 1.38   0.885% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.40 +/- 2.68   0.180% *  0.0820% (0.65   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  29.54 +/- 3.51   0.106% *  0.1170% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  27.92 +/- 3.46   0.120% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.59 +/- 2.06   0.162% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 138.8:
          HN    ILE  103 - HG13  ILE  103   3.67 +/- 0.56  94.940% * 99.4587% (1.00   6.23 138.77) =  99.991%  kept
          HN    GLN   90 - HG13  ILE  103  18.29 +/- 3.25   1.304% *  0.3022% (0.95   0.02   0.02) =   0.004%
          HN    GLY  109 - HG13  ILE  103  14.45 +/- 1.72   2.102% *  0.1681% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  18.30 +/- 4.39   1.654% *  0.0711% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.48, residual support = 138.7:
          HN    ILE  103 - QG2   ILE  103   3.66 +/- 0.22  93.632% * 99.2535% (0.69   6.48 138.77) =  99.979%  kept
          HN    GLY  109 - QG2   ILE  103  11.12 +/- 0.83   3.576% *  0.4303% (0.97   0.02   0.02) =   0.017%
          HN    GLN   90 - QG2   ILE  103  15.83 +/- 2.27   1.502% *  0.2170% (0.49   0.02   0.02) =   0.004%
          HE1   HIS   22 - QG2   ILE  103  19.79 +/- 3.51   1.290% *  0.0993% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 23.6:
          HA    LYS+ 102 - HB    ILE  103   4.53 +/- 0.25  96.187% * 98.7672% (0.38   4.79  23.65) =  99.979%  kept
          HA    ALA   20 - HB    ILE  103  20.16 +/- 3.46   1.440% *  1.0152% (0.92   0.02   0.02) =   0.015%
          HA    LEU   71 - HB    ILE  103  16.62 +/- 2.24   2.373% *  0.2176% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.19 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.62, residual support = 15.0:
        T HB2   PHE   97 - HB2   LEU  104   3.80 +/- 1.40  56.910% * 93.9852% (0.82 10.00   4.69  15.27) =  98.067%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.31 +/- 1.47  17.933% *  5.8261% (0.78  1.00   1.31   0.39) =   1.916%  kept
          QE    LYS+  99 - HB2   LEU  104   6.41 +/- 1.59  19.888% *  0.0248% (0.22  1.00   0.02  17.77) =   0.009%
          HB3   TRP   27 - HB2   LEU  104  15.70 +/- 3.80   3.368% *  0.0917% (0.80  1.00   0.02   0.02) =   0.006%
          HB3   PHE   60 - HB2   LEU  104  15.90 +/- 3.42   1.902% *  0.0721% (0.63  1.00   0.02   0.02) =   0.003%
    Distance limit 3.96 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.36, residual support = 35.5:
          HN    ASP- 105 - HB2   LEU  104   2.84 +/- 0.50  99.558% * 99.8753% (0.82   6.36  35.55) =  99.999%  kept
          HN    ALA   88 - HB2   LEU  104  21.56 +/- 3.86   0.442% *  0.1247% (0.33   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 215.4:
      O   HN    LEU  104 - HB2   LEU  104   2.68 +/- 0.49  97.460% * 99.7579% (0.36  10.0   7.38 215.45) =  99.994%  kept
          HN    PHE   72 - HB2   LEU  104  13.31 +/- 2.25   2.540% *  0.2421% (0.87   1.0   0.02   0.02) =   0.006%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.86, residual support = 215.4:
      O   HN    LEU  104 - HB3   LEU  104   3.34 +/- 0.50  96.295% * 99.9343% (0.71  10.0   6.86 215.45) =  99.997%  kept
          HN    PHE   72 - HB3   LEU  104  14.30 +/- 2.88   3.705% *  0.0657% (0.46   1.0   0.02   0.02) =   0.003%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.42, residual support = 215.4:
          HN    LEU  104 - HG    LEU  104   3.44 +/- 0.74  95.712% * 99.8233% (0.92   7.43 215.45) =  99.992%  kept
          HN    PHE   72 - HG    LEU  104  14.05 +/- 2.88   4.288% *  0.1767% (0.61   0.02   0.02) =   0.008%
    Distance limit 3.52 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 1.73, residual support = 17.7:
          HN    LYS+  99 - HG    LEU  104   4.21 +/- 1.47  64.019% * 96.8155% (0.98   1.74  17.77) =  99.453%  kept
          HE1   HIS  122 - HG    LEU  104  13.67 +/- 7.98  24.156% *  1.1341% (1.00   0.02   0.02) =   0.440%  kept
          HN    GLN   30 - HG    LEU  104  15.29 +/- 3.68   9.277% *  0.5096% (0.45   0.02   0.02) =   0.076%
          HN    GLU-  14 - HG    LEU  104  23.19 +/- 3.31   1.273% *  1.1142% (0.98   0.02   0.02) =   0.023%
          HN    ASP-  86 - HG    LEU  104  22.21 +/- 4.50   1.274% *  0.4266% (0.38   0.02   0.02) =   0.009%
    Distance limit 4.18 A violated in 3 structures by 0.52 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.376, support = 6.6, residual support = 199.3:
          HN    LEU  104 - QD1   LEU  104   3.96 +/- 0.62  53.603% * 74.0349% (0.40   6.86 215.45) =  90.759%  kept
          HN    PHE   72 - QD1   LEU   73   6.49 +/- 0.79  15.971% * 21.8948% (0.18   4.54  44.28) =   7.997%  kept
          HN    PHE   72 - QD1   LEU   63   7.89 +/- 1.58  14.501% *  3.4671% (0.18   0.72  16.22) =   1.150%  kept
          HN    PHE   72 - QD1   LEU  104  11.42 +/- 2.50   7.137% *  0.5237% (0.96   0.02   0.02) =   0.085%
          HN    LEU  104 - QD1   LEU   73  11.03 +/- 2.20   5.280% *  0.0397% (0.07   0.02   0.02) =   0.005%
          HN    LEU  104 - QD1   LEU   63  11.99 +/- 2.70   3.508% *  0.0397% (0.07   0.02   0.02) =   0.003%
    Distance limit 4.01 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.405, support = 2.98, residual support = 16.3:
        T HB2   LYS+  99 - QD1   LEU  104   3.32 +/- 2.13  59.881% * 77.8281% (0.40 10.00   3.21  17.77) =  91.840%  kept
        T HB    VAL   43 - QD1   LEU  104   9.71 +/- 2.62  19.957% * 20.5380% (0.51 10.00   0.41   0.02) =   8.077%  kept
          HB    VAL   43 - QD1   LEU   73   6.55 +/- 1.44  10.314% *  0.3327% (0.09  1.00   0.36   6.16) =   0.068%
        T HB    ILE   89 - QD1   LEU  104  18.09 +/- 2.40   0.314% *  0.8487% (0.43 10.00   0.02   0.02) =   0.005%
        T HB2   LYS+  99 - QD1   LEU   63  12.22 +/- 2.09   1.405% *  0.1433% (0.07 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  99 - QD1   LEU   73  12.11 +/- 2.14   1.018% *  0.1433% (0.07 10.00   0.02   0.02) =   0.003%
          HB    VAL   43 - QD1   LEU   63   9.28 +/- 2.99   4.213% *  0.0183% (0.09  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QD1   LEU  104  20.62 +/- 3.04   0.240% *  0.0849% (0.43  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  13.95 +/- 3.33   0.851% *  0.0156% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.82 +/- 1.78   0.790% *  0.0156% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  15.52 +/- 3.81   0.717% *  0.0156% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.58 +/- 2.14   0.300% *  0.0156% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.856, support = 2.31, residual support = 18.6:
          HB2   LYS+  99 - QD2   LEU  104   3.53 +/- 1.68  42.039% * 81.8614% (0.90  1.00   2.30  17.77) =  92.461%  kept
          HB3   GLN   17 - QG2   VAL   18   4.64 +/- 1.11  25.944% *  6.3013% (0.04  1.00   4.14  50.49) =   4.392%  kept
        T HB    VAL   43 - QD2   LEU  104   9.46 +/- 2.56  12.588% *  7.6695% (0.97 10.00   0.02   0.02) =   2.594%  kept
          HB2   LYS+  99 - QG1   VAL   41   5.52 +/- 1.25  12.771% *  1.3732% (0.05  1.00   0.72   0.02) =   0.471%  kept
        T HB    VAL   43 - QG1   VAL   41   7.48 +/- 0.83   3.425% *  0.4119% (0.05 10.00   0.02   1.33) =   0.038%
        T HB    VAL   43 - QG2   VAL   18  12.64 +/- 4.45   1.142% *  1.1785% (0.15 10.00   0.02   0.02) =   0.036%
          QD    LYS+  81 - QD2   LEU  104  20.18 +/- 3.04   0.168% *  0.7336% (0.92  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - QD2   LEU  104  17.97 +/- 2.68   0.264% *  0.1982% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  15.98 +/- 2.34   0.401% *  0.1095% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  18.19 +/- 5.30   0.342% *  0.1127% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   41  18.04 +/- 1.89   0.218% *  0.0394% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.50 +/- 3.62   0.700% *  0.0106% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.38, residual support = 41.7:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  93.752% * 76.3264% (0.72  10.0 10.00   3.37  41.88) =  98.772%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.06 +/- 0.17   3.930% * 22.5839% (0.93   1.0  1.00   4.61  23.72) =   1.225%  kept
          HB    ILE  103 - HB2   ASP- 105   8.15 +/- 0.59   1.001% *  0.0686% (0.65   1.0  1.00   0.02   3.32) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  16.70 +/- 1.08   0.114% *  0.3748% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   ASP- 105  14.14 +/- 2.02   0.252% *  0.0866% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  17.57 +/- 2.53   0.133% *  0.0866% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  16.99 +/- 2.20   0.121% *  0.0725% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  16.93 +/- 2.77   0.145% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  18.55 +/- 3.83   0.114% *  0.0646% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  16.53 +/- 4.17   0.264% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.80 +/- 2.48   0.056% *  0.0964% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.10 +/- 2.77   0.070% *  0.0725% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  22.33 +/- 1.60   0.048% *  0.0922% (0.87   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 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.64, residual support = 4.4:
        T QG2   THR  118 - HB2   ASP- 105   5.34 +/- 4.65 100.000% *100.0000% (0.54 10.00   1.64   4.40) = 100.000%  kept
    Distance limit 3.38 A violated in 6 structures by 2.57 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.64, residual support = 4.4:
        T QG2   THR  118 - HB3   ASP- 105   5.85 +/- 4.47 100.000% *100.0000% (0.57 10.00   1.64   4.40) = 100.000%  kept
    Distance limit 3.60 A violated in 8 structures by 2.63 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.883, support = 4.74, residual support = 50.7:
          HB2   PHE   97 - HB2   ASP- 105   3.71 +/- 0.85  64.748% * 55.2603% (0.89   4.93  59.75) =  74.867%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.93 +/- 1.20  27.100% * 44.2901% (0.85   4.17  23.72) =  25.114%  kept
          HB3   PHE   60 - HB2   ASP- 105  14.42 +/- 2.37   2.079% *  0.1720% (0.69   0.02   0.02) =   0.007%
          QE    LYS+  99 - HB2   ASP- 105   9.84 +/- 1.25   5.098% *  0.0591% (0.24   0.02   0.57) =   0.006%
          HB3   TRP   27 - HB2   ASP- 105  17.79 +/- 3.04   0.976% *  0.2186% (0.87   0.02   0.02) =   0.004%
    Distance limit 4.05 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.814, support = 3.81, residual support = 55.5:
        T HB2   PHE   97 - HB3   ASP- 105   3.23 +/- 1.05  64.998% * 67.7091% (0.87 10.00   3.82  59.75) =  88.214%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.49 +/- 1.11  18.302% * 32.0903% (0.41 10.00   3.75  23.72) =  11.772%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.66 +/- 1.22   6.467% *  0.0567% (0.73  1.00   0.02   0.57) =   0.007%
          QE    LYS+ 102 - HB3   ASP- 105   9.82 +/- 1.64   4.954% *  0.0195% (0.25  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HB3   ASP- 105  17.24 +/- 3.31   1.287% *  0.0700% (0.90  1.00   0.02   0.02) =   0.002%
          QE    LYS+  38 - HB3   ASP- 105  15.08 +/- 2.55   1.823% *  0.0350% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  14.66 +/- 2.56   2.169% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.23, residual support = 41.9:
      O T HA    ASP- 105 - HB3   ASP- 105   2.92 +/- 0.11  98.634% * 99.8608% (0.87  10.0 10.00   3.23  41.88) =  99.999%  kept
          HB    THR   23 - HB3   ASP- 105  22.89 +/- 4.47   0.570% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB3   ASP- 105  22.18 +/- 3.96   0.317% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  22.13 +/- 4.18   0.479% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.6, residual support = 41.9:
      O   HN    ASP- 105 - HB3   ASP- 105   2.77 +/- 0.21  99.650% * 99.9603% (0.95  10.0   4.60  41.88) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  20.97 +/- 3.95   0.350% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.86, residual support = 23.7:
          HN    LYS+ 106 - HB3   ASP- 105   4.06 +/- 0.16  86.432% * 99.5457% (0.18   3.86  23.72) =  99.928%  kept
          HN    VAL   41 - HB3   ASP- 105   8.92 +/- 1.76  13.568% *  0.4543% (0.15   0.02   0.02) =   0.072%
    Distance limit 3.99 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.59, residual support = 59.7:
          QD    PHE   97 - HB2   ASP- 105   3.41 +/- 0.70  95.613% * 99.3464% (0.87   3.59  59.75) =  99.978%  kept
          HZ3   TRP   87 - HB2   ASP- 105  15.32 +/- 5.74   3.927% *  0.5201% (0.82   0.02   0.02) =   0.022%
          HE3   TRP   49 - HB2   ASP- 105  23.55 +/- 2.14   0.459% *  0.1335% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.66, residual support = 41.9:
      O   HN    ASP- 105 - HB2   ASP- 105   3.50 +/- 0.25  99.333% * 99.9603% (0.89  10.0   4.66  41.88) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  20.21 +/- 3.77   0.667% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.8, residual support = 23.7:
          HN    LYS+ 106 - HB2   ASP- 105   2.87 +/- 0.25  96.402% * 99.5384% (0.17   3.80  23.72) =  99.983%  kept
          HN    VAL   41 - HB2   ASP- 105  10.01 +/- 1.70   3.598% *  0.4616% (0.15   0.02   0.02) =   0.017%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.13:
        T HA    MET   96 - HA    LYS+ 106   3.00 +/- 0.89  96.775% * 99.9190% (0.87 10.00   1.07   2.13) =  99.997%  kept
          HA    PHE   72 - HA    LYS+ 106  13.61 +/- 1.80   3.225% *  0.0810% (0.38  1.00   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.16, residual support = 11.3:
          QD    PHE   97 - HA    LYS+ 106   4.24 +/- 0.89  87.368% * 99.5999% (0.45   4.17  11.34) =  99.942%  kept
          HZ3   TRP   87 - HA    LYS+ 106  12.34 +/- 5.24  12.632% *  0.4001% (0.38   0.02   0.02) =   0.058%
    Distance limit 3.95 A violated in 2 structures by 0.51 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.02, residual support = 11.3:
          HN    PHE   97 - HA    LYS+ 106   3.19 +/- 0.50  94.096% * 90.5076% (0.90   3.03  11.34) =  99.578%  kept
          HN    LEU  115 - HA    LYS+ 106  10.03 +/- 1.36   3.838% *  9.3075% (0.90   0.31   0.02) =   0.418%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.17 +/- 1.18   2.066% *  0.1849% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 135.0:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.91 +/- 0.02 100.000% *100.0000% (0.61  10.0   5.17 135.02) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.3:
      O   HN    VAL  107 - HA    LYS+ 106   2.24 +/- 0.07  99.829% * 99.8992% (0.99  10.0   4.58  26.35) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.70 +/- 2.33   0.171% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.36, residual support = 135.0:
      O   HN    LYS+ 106 - QB    LYS+ 106   2.87 +/- 0.33  97.215% * 99.9120% (0.18  10.0   5.36 135.02) =  99.997%  kept
          HN    VAL   41 - QB    LYS+ 106  10.92 +/- 1.30   2.785% *  0.0880% (0.15   1.0   0.02   0.02) =   0.003%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.1, residual support = 26.3:
          HN    VAL  107 - QB    LYS+ 106   3.15 +/- 0.21  99.417% * 99.6059% (0.99   5.10  26.35) =  99.998%  kept
          HN    GLY   51 - QB    LYS+ 106  18.37 +/- 2.13   0.583% *  0.3941% (1.00   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.606, support = 5.92, residual support = 134.9:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.44 +/- 0.10  87.261% * 94.0497% (0.61  10.0 10.00   5.93 135.02) =  99.909%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.32 +/- 0.86   3.751% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.051%
        T HG3   LYS+ 102 - QB    LYS+ 106  10.88 +/- 1.79   1.263% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.019%
        T HG3   LYS+  65 - QB    LYS+ 106  17.81 +/- 3.71   0.498% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  33 - QB    LYS+ 106  18.01 +/- 1.55   0.241% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QB    LYS+ 106  10.14 +/- 1.20   1.436% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QB    LYS+ 106  11.75 +/- 5.44   1.796% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QB    LYS+ 106  13.32 +/- 1.55   0.918% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 106  13.90 +/- 2.47   0.715% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QB    LYS+ 106  15.87 +/- 3.52   0.571% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.99 +/- 1.11   0.329% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.99 +/- 1.13   1.069% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.60 +/- 3.17   0.151% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.7, residual support = 5.85:
          QG2   VAL  108 - QB    LYS+ 106   3.30 +/- 0.34  85.559% * 89.5548% (1.00   2.72   5.90) =  98.928%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.53 +/- 0.46   8.318% *  9.7163% (0.98   0.30   0.39) =   1.044%  kept
          QD1   ILE  119 - QB    LYS+ 106  11.26 +/- 2.20   2.861% *  0.5039% (0.76   0.02   0.02) =   0.019%
          HG3   LYS+ 112 - QB    LYS+ 106  12.77 +/- 1.78   3.262% *  0.2249% (0.34   0.02   0.02) =   0.009%
    Distance limit 3.51 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.728, support = 4.29, residual support = 24.2:
          QG2   VAL  107 - QB    LYS+ 106   5.32 +/- 0.33  27.058% * 93.3946% (0.76   4.61  26.35) =  91.915%  kept
          QG2   THR   94 - QB    LYS+ 106   4.84 +/- 1.07  37.324% *  5.5287% (0.28   0.75   0.02) =   7.505%  kept
          HG13  ILE  103 - QB    LYS+ 106   6.06 +/- 1.72  25.873% *  0.5291% (1.00   0.02   0.02) =   0.498%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  11.95 +/- 5.47   6.252% *  0.2790% (0.53   0.02   0.02) =   0.063%
          HB3   LYS+ 112 - QB    LYS+ 106  13.35 +/- 1.61   2.443% *  0.1637% (0.31   0.02   0.02) =   0.015%
          QB    ALA   20 - QB    LYS+ 106  16.78 +/- 2.42   1.049% *  0.1049% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.69 A violated in 0 structures by 0.46 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.136, support = 5.68, residual support = 109.5:
          HN    LYS+  81 - QG    LYS+  81   2.89 +/- 0.46  83.358% * 63.4787% (0.13   5.74 110.62) =  98.966%  kept
          QE    PHE   95 - HG2   LYS+ 106  10.60 +/- 1.07   2.517% * 10.4461% (0.34   0.37   0.02) =   0.492%  kept
          HE3   TRP   27 - QG    LYS+  81  16.35 +/- 5.84   0.936% * 10.6231% (0.47   0.27   0.02) =   0.186%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.71 +/- 1.28   4.445% *  1.6300% (0.98   0.02   0.02) =   0.135%  kept
          HN    THR   23 - QG    LYS+  81  15.62 +/- 7.36   1.249% *  5.3267% (0.25   0.25   0.02) =   0.124%  kept
          HN    THR   23 - HG2   LYS+  33  12.09 +/- 1.49   1.621% *  0.8749% (0.53   0.02   0.02) =   0.027%
          HE3   TRP   27 - HG2   LYS+ 106  16.04 +/- 2.84   0.702% *  0.9885% (0.59   0.02   0.02) =   0.013%
          QD    PHE   55 - HG2   LYS+  33  25.38 +/- 3.79   0.325% *  1.5730% (0.95   0.02   0.02) =   0.010%
          QD    PHE   55 - QG    LYS+  81  18.31 +/- 3.13   0.640% *  0.7531% (0.45   0.02   0.02) =   0.009%
          QE    PHE   95 - HG2   LYS+  33  19.42 +/- 2.54   0.497% *  0.9415% (0.57   0.02   0.02) =   0.009%
          QD    PHE   55 - HG2   LYS+ 106  17.91 +/- 2.30   0.474% *  0.9540% (0.57   0.02   0.02) =   0.008%
          QE    PHE   95 - QG    LYS+  81  15.39 +/- 1.42   0.778% *  0.4508% (0.27   0.02   0.02) =   0.007%
          HN    THR   23 - HG2   LYS+ 106  21.01 +/- 3.81   0.421% *  0.5306% (0.32   0.02   0.02) =   0.004%
          HN    LEU   67 - HG2   LYS+  33  17.14 +/- 2.28   0.528% *  0.3291% (0.20   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+ 106  21.04 +/- 3.52   0.473% *  0.2804% (0.17   0.02   0.02) =   0.002%
          HN    LYS+  81 - HG2   LYS+  33  22.98 +/- 5.60   0.267% *  0.4623% (0.28   0.02   0.02) =   0.002%
          HN    LEU   67 - HG2   LYS+ 106  18.99 +/- 3.38   0.447% *  0.1996% (0.12   0.02   0.02) =   0.002%
          HN    LEU   67 - QG    LYS+  81  20.50 +/- 2.33   0.325% *  0.1576% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.273, support = 0.657, residual support = 1.3:
          HN    GLU-  79 - QG    LYS+  81   6.19 +/- 1.08  59.666% * 79.5172% (0.27   0.67   1.32) =  98.097%  kept
          HN    VAL   70 - HG2   LYS+  33  14.18 +/- 2.94   9.250% *  4.2658% (0.49   0.02   0.02) =   0.816%  kept
          HN    THR   94 - HG2   LYS+ 106  11.66 +/- 1.24  11.631% *  1.0518% (0.12   0.02   0.02) =   0.253%  kept
          HN    GLU-  79 - HG2   LYS+ 106  19.46 +/- 2.94   3.134% *  3.0091% (0.34   0.02   0.02) =   0.195%  kept
          HN    GLU-  79 - HG2   LYS+  33  20.96 +/- 3.67   1.843% *  4.9617% (0.57   0.02   0.02) =   0.189%  kept
          HN    VAL   70 - HG2   LYS+ 106  18.12 +/- 2.99   3.470% *  2.5871% (0.30   0.02   0.02) =   0.186%  kept
          HN    THR   94 - QG    LYS+  81  13.19 +/- 1.85   7.544% *  0.8304% (0.09   0.02   0.02) =   0.130%  kept
          HN    VAL   70 - QG    LYS+  81  21.85 +/- 1.89   1.703% *  2.0424% (0.23   0.02   0.02) =   0.072%
          HN    THR   94 - HG2   LYS+  33  21.37 +/- 1.60   1.759% *  1.7344% (0.20   0.02   0.02) =   0.063%
    Distance limit 4.05 A violated in 13 structures by 2.04 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.65, residual support = 135.0:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.75 +/- 0.56  96.179% * 99.8764% (0.18  10.0   5.65 135.02) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+  65  18.16 +/- 3.77   1.214% *  0.0419% (0.07   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 106 - HG3   LYS+ 102  12.16 +/- 1.62   2.153% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.00 +/- 1.53   0.454% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.21, residual support = 42.5:
        T HB2   PHE   95 - HB    VAL  107   2.29 +/- 0.67 100.000% *100.0000% (0.69 10.00   4.21  42.47) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.19, residual support = 60.1:
      O T QG2   VAL  107 - HB    VAL  107   2.12 +/- 0.02  95.352% * 99.7352% (0.72  10.0 10.00   3.19  60.07) =  99.997%  kept
          HG2   LYS+ 121 - HB    VAL  107  11.76 +/- 4.26   1.488% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB    VAL  107  10.52 +/- 1.62   0.989% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.71 +/- 2.52   1.588% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  17.64 +/- 2.61   0.398% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.45 +/- 1.75   0.185% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.9, residual support = 60.1:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  92.667% * 99.7552% (0.71  10.0 10.00   3.90  60.07) =  99.995%  kept
          HD3   LYS+ 112 - HB    VAL  107  10.47 +/- 2.71   5.121% *  0.0850% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          HG13  ILE  119 - HB    VAL  107   9.71 +/- 2.52   1.550% *  0.0227% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.43 +/- 2.89   0.252% *  0.0939% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.45 +/- 1.75   0.181% *  0.0254% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  17.09 +/- 2.55   0.229% *  0.0178% (0.13   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 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.63, support = 0.692, residual support = 6.44:
          QD2   LEU  115 - HB    VAL  107   5.65 +/- 1.90  33.542% * 62.4396% (0.67   0.75   7.49) =  85.866%  kept
          QD2   LEU   63 - HB    VAL  107   9.86 +/- 3.19  14.260% * 14.3016% (0.33   0.35   0.02) =   8.361%  kept
          QG1   VAL   83 - HB    VAL  107  13.81 +/- 3.06   3.505% * 16.8662% (0.18   0.75   0.02) =   2.424%  kept
          QD1   LEU   63 - HB    VAL  107   9.04 +/- 3.38  20.001% *  1.7680% (0.71   0.02   0.02) =   1.450%  kept
          QD1   LEU   73 - HB    VAL  107  11.88 +/- 3.72  18.661% *  1.7680% (0.71   0.02   0.02) =   1.353%  kept
          QD1   LEU  104 - HB    VAL  107  10.40 +/- 1.21   7.678% *  1.2390% (0.50   0.02   0.02) =   0.390%  kept
          QD2   LEU   80 - HB    VAL  107  16.01 +/- 2.93   2.353% *  1.6176% (0.65   0.02   0.02) =   0.156%  kept
    Distance limit 4.06 A violated in 4 structures by 0.82 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.69, residual support = 42.5:
          QD    PHE   95 - HB    VAL  107   2.64 +/- 0.63  99.053% * 99.8267% (0.63   3.69  42.47) =  99.998%  kept
          HN    ALA   47 - HB    VAL  107  14.07 +/- 1.43   0.947% *  0.1733% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 1.73, residual support = 5.39:
          QD    PHE   97 - HB    VAL  107   5.11 +/- 0.85  91.014% * 99.0446% (0.33   1.74   5.40) =  99.905%  kept
          HZ3   TRP   87 - HB    VAL  107  14.13 +/- 4.16   8.986% *  0.9554% (0.27   0.02   0.02) =   0.095%
    Distance limit 3.89 A violated in 7 structures by 1.25 A, kept.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.1:
      O   HN    VAL  107 - HB    VAL  107   2.56 +/- 0.42  99.552% * 99.8992% (0.72  10.0   3.33  60.07) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.82 +/- 2.44   0.448% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.15, residual support = 42.5:
          HN    PHE   95 - HB    VAL  107   3.73 +/- 0.72 100.000% *100.0000% (0.47   3.15  42.47) = 100.000%  kept
    Distance limit 4.27 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.34, residual support = 60.1:
      O   QG2   VAL  107 - QG1   VAL  107   2.03 +/- 0.06  90.963% * 99.3994% (0.99  10.0  1.00   4.35  60.07) =  99.986%  kept
        T HG13  ILE  119 - QG1   VAL  107   7.50 +/- 2.34   3.881% *  0.1985% (0.20   1.0 10.00   0.02   0.02) =   0.009%
          HG2   LYS+ 121 - QG1   VAL  107   8.83 +/- 4.06   3.188% *  0.0968% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - QG1   VAL  107   9.13 +/- 1.30   1.281% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  14.85 +/- 1.41   0.262% *  0.1756% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG1   VAL  107  15.15 +/- 2.31   0.426% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.9, residual support = 60.1:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  84.070% * 99.5757% (0.65  10.0 10.00   3.90  60.07) =  99.993%  kept
          QE    LYS+ 112 - QG1   VAL  107   7.84 +/- 1.77  11.028% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLN  116 - QG1   VAL  107   7.02 +/- 1.13   2.823% *  0.0270% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   9.58 +/- 1.61   1.396% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG1   VAL  107  15.93 +/- 2.13   0.285% *  0.1286% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  17.55 +/- 1.17   0.155% *  0.1536% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  15.12 +/- 1.07   0.243% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 62.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.19, residual support = 60.0:
      O T HB    VAL  107 - QG2   VAL  107   2.12 +/- 0.02  85.428% * 99.2330% (0.65  10.0 10.00   3.19  60.07) =  99.954%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.69 +/- 1.84   9.641% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.043%
          HB2   GLN  116 - QG2   VAL  107   7.01 +/- 1.19   2.744% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG2   VAL  107   8.74 +/- 1.32   1.572% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL  107  15.58 +/- 2.10   0.292% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  18.49 +/- 1.68   0.142% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  16.71 +/- 1.05   0.182% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 1.73, residual support = 5.55:
        T QB    GLU- 114 - QG2   VAL  107   3.51 +/- 1.57  54.139% * 98.5351% (0.65 10.00   1.74   5.56) =  99.853%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.90 +/- 1.33  19.445% *  0.1739% (0.99  1.00   0.02   0.02) =   0.063%
        T HB    ILE  119 - QG2   VAL  107   8.14 +/- 2.32   8.539% *  0.3072% (0.18 10.00   0.02   0.02) =   0.049%
          HB3   GLU-  25 - QG2   VAL  107  21.29 +/- 3.38   3.288% *  0.1659% (0.95  1.00   0.02   0.02) =   0.010%
          QB    GLU-  15 - QG2   VAL  107  19.43 +/- 3.52   1.404% *  0.1754% (1.00  1.00   0.02   0.02) =   0.005%
          HG3   GLN   30 - QG2   VAL  107  17.46 +/- 2.74   2.892% *  0.0721% (0.41  1.00   0.02   0.02) =   0.004%
          HB3   PRO   68 - QG2   VAL  107  17.11 +/- 2.15   1.454% *  0.1405% (0.80  1.00   0.02   0.02) =   0.004%
          HB    ILE   19 - QG2   VAL  107  16.68 +/- 1.94   1.977% *  0.0993% (0.57  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - QG2   VAL  107  19.60 +/- 3.06   0.936% *  0.1754% (1.00  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG2   VAL  107  16.19 +/- 2.83   1.918% *  0.0854% (0.49  1.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - QG2   VAL  107  16.50 +/- 2.15   2.545% *  0.0307% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QG2   VAL  107  17.04 +/- 1.21   1.464% *  0.0391% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 3 structures by 0.84 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.956, support = 1.17, residual support = 2.61:
          QD2   LEU  115 - QG1   VAL  107   4.42 +/- 1.56  39.515% * 18.7064% (0.92  1.00   2.47   7.49) =  34.710%  kept
        T QD1   LEU   63 - QG1   VAL  107   7.66 +/- 2.67  17.632% * 40.2941% (0.98 10.00   0.50   0.02) =  33.362%  kept
        T QD1   LEU   73 - QG1   VAL  107  10.45 +/- 3.34  17.107% * 38.5759% (0.98 10.00   0.48   0.02) =  30.987%  kept
        T QD2   LEU   63 - QG1   VAL  107   8.22 +/- 2.58  14.201% *  0.7370% (0.45 10.00   0.02   0.02) =   0.491%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.46 +/- 1.14   7.301% *  1.1292% (0.69 10.00   0.02   0.02) =   0.387%  kept
        T QG1   VAL   83 - QG1   VAL  107  12.51 +/- 2.37   2.622% *  0.4099% (0.25 10.00   0.02   0.02) =   0.050%
          QD2   LEU   80 - QG1   VAL  107  14.31 +/- 2.17   1.623% *  0.1474% (0.90  1.00   0.02   0.02) =   0.011%
    Distance limit 2.94 A violated in 4 structures by 0.99 A, kept.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.376, support = 1.28, residual support = 7.46:
          QD1   LEU  115 - QG2   VAL  107   4.29 +/- 1.26  83.833% * 97.7063% (0.38   1.29   7.49) =  99.549%  kept
          QG1   VAL   75 - QG2   VAL  107   9.01 +/- 1.07  16.167% *  2.2937% (0.57   0.02   0.02) =   0.451%  kept
    Distance limit 3.72 A violated in 3 structures by 0.67 A, kept.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.847, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.65 +/- 1.51  74.379% * 58.0948% (0.90   0.02   0.02) =  80.098%  kept
          QG2   ILE   19 - QG2   VAL  107  14.93 +/- 2.03  25.621% * 41.9052% (0.65   0.02   0.02) =  19.902%  kept
    Distance limit 3.39 A violated in 20 structures by 6.05 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.62, residual support = 60.1:
      O T HA    VAL  107 - QG2   VAL  107   2.55 +/- 0.21  88.231% * 99.4123% (0.45  10.0 10.00   3.62  60.07) =  99.987%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.70 +/- 0.57   9.180% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.008%
          HA    PRO   52 - QG2   VAL  107  12.08 +/- 2.22   1.126% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - QG2   VAL  107  11.99 +/- 1.25   1.022% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - QG2   VAL  107  16.72 +/- 2.31   0.441% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.379, support = 2.82, residual support = 11.7:
          HB    VAL  108 - QG1   VAL  107   5.71 +/- 0.54  35.714% * 52.6751% (0.45  1.00   4.31  19.39) =  60.417%  kept
        T HB    ILE  119 - QG1   VAL  107   7.20 +/- 2.67  29.953% * 38.5292% (0.25 10.00   0.57   0.02) =  37.063%  kept
          HG2   PRO   58 - QG1   VAL  107   9.95 +/- 2.72  10.473% *  6.6453% (0.65  1.00   0.38   0.02) =   2.235%  kept
          HB2   PRO   93 - QG1   VAL  107   8.60 +/- 1.41  13.656% *  0.4552% (0.84  1.00   0.02   0.02) =   0.200%  kept
          HG3   PRO   52 - QG1   VAL  107  13.74 +/- 2.16   2.848% *  0.3525% (0.65  1.00   0.02   0.02) =   0.032%
          HB2   ARG+  54 - QG1   VAL  107  14.17 +/- 1.85   2.502% *  0.2867% (0.53  1.00   0.02   0.02) =   0.023%
          HB2   GLU-  14 - QG1   VAL  107  21.83 +/- 2.89   0.887% *  0.3957% (0.73  1.00   0.02   0.02) =   0.011%
          HB2   GLN   30 - QG1   VAL  107  15.70 +/- 1.70   1.875% *  0.1359% (0.25  1.00   0.02   0.02) =   0.008%
          HB3   GLU- 100 - QG1   VAL  107  15.47 +/- 1.19   1.761% *  0.1078% (0.20  1.00   0.02   0.02) =   0.006%
          HG2   MET   11 - QG1   VAL  107  28.05 +/- 2.98   0.331% *  0.4165% (0.76  1.00   0.02   0.02) =   0.004%
    Distance limit 3.39 A violated in 10 structures by 1.52 A, kept.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.901, support = 1.15, residual support = 6.96:
          HA    LEU  115 - QG1   VAL  107   3.18 +/- 2.24  61.921% * 46.3686% (0.90   1.14   7.49) =  73.214%  kept
          HA    GLU- 114 - QG1   VAL  107   5.21 +/- 1.45  20.804% * 49.9610% (0.92   1.19   5.56) =  26.503%  kept
          HA    ALA   34 - QG1   VAL  107  16.06 +/- 1.50   3.090% *  0.8915% (0.98   0.02   0.02) =   0.070%
          HA    THR   26 - QG1   VAL  107  19.57 +/- 2.67   4.801% *  0.5516% (0.61   0.02   0.02) =   0.068%
          HA1   GLY  101 - QG1   VAL  107  14.93 +/- 1.07   2.586% *  0.9014% (0.99   0.02   0.02) =   0.059%
          HA    ASN   28 - QG1   VAL  107  16.51 +/- 1.69   2.835% *  0.7889% (0.87   0.02   0.02) =   0.057%
          HA    ARG+  54 - QG1   VAL  107  12.87 +/- 1.94   2.600% *  0.3102% (0.34   0.02   0.02) =   0.021%
          HA    ALA  124 - QG1   VAL  107  14.45 +/- 2.63   1.363% *  0.2268% (0.25   0.02   0.02) =   0.008%
    Distance limit 3.36 A violated in 3 structures by 0.61 A, kept.
 
    Peak 3187 (4.50, 1.09, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 4.59, residual support = 60.1:
      O T HA    VAL  107 - QG1   VAL  107   2.40 +/- 0.42  85.646% * 99.4123% (0.45  10.0 10.00   4.59  60.07) =  99.985%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.09 +/- 1.40  12.289% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.011%
          HA    PRO   52 - QG1   VAL  107  13.33 +/- 1.91   0.711% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - QG1   VAL  107  13.42 +/- 0.96   0.826% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG1   VAL  107  16.14 +/- 1.96   0.528% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 0.392, residual support = 1.33:
          QD    PHE   59 - QG1   VAL  107   5.34 +/- 2.01  70.753% * 81.1427% (0.49   0.40   1.37) =  96.822%  kept
          HE21  GLN   30 - QG1   VAL  107  15.56 +/- 2.57  12.475% *  6.8869% (0.84   0.02   0.02) =   1.449%  kept
          HH2   TRP   49 - QG1   VAL  107  14.42 +/- 2.21   8.933% *  7.9571% (0.97   0.02   0.02) =   1.199%  kept
          HD1   TRP   27 - QG1   VAL  107  16.11 +/- 2.13   7.839% *  4.0133% (0.49   0.02   0.02) =   0.531%  kept
    Distance limit 3.24 A violated in 10 structures by 2.00 A, kept.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.87, residual support = 42.5:
          QD    PHE   95 - QG2   VAL  107   2.17 +/- 0.38  97.609% * 99.4899% (0.95   3.87  42.47) =  99.995%  kept
          HN    ALA   47 - QG2   VAL  107  11.65 +/- 1.51   0.821% *  0.4150% (0.76   0.02   0.02) =   0.004%
          QE    PHE   72 - QG2   VAL  107  10.24 +/- 1.54   1.569% *  0.0951% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.858, support = 1.65, residual support = 6.91:
          HN    LEU  115 - QG2   VAL  107   3.71 +/- 1.52  61.173% * 69.6283% (0.90   1.76   7.49) =  87.968%  kept
          HN    ASP- 113 - QG2   VAL  107   6.19 +/- 1.15  17.589% * 17.1173% (0.28   1.40   0.02) =   6.218%  kept
          HN    PHE   97 - QG2   VAL  107   6.78 +/- 0.97  21.238% * 13.2544% (0.90   0.34   5.40) =   5.814%  kept
    Distance limit 3.95 A violated in 1 structures by 0.12 A, kept.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.62, residual support = 19.4:
          HN    VAL  108 - QG2   VAL  107   3.27 +/- 0.36  90.115% * 99.3343% (0.57   3.62  19.39) =  99.927%  kept
          HN    VAL   43 - QG2   VAL  107   8.46 +/- 0.98   9.885% *  0.6657% (0.69   0.02   0.02) =   0.073%
    Distance limit 3.50 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.1:
          HN    VAL  107 - QG1   VAL  107   2.92 +/- 0.48  98.859% * 99.5136% (0.99   4.13  60.07) =  99.994%  kept
          HN    GLY   51 - QG1   VAL  107  14.85 +/- 2.16   1.141% *  0.4864% (1.00   0.02   0.02) =   0.006%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3193 (9.18, 1.09, 63.87 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   7.70 +/- 1.14 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 20 structures by 4.13 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 = 6.39:
      O   HN    ALA  110 - HA2   GLY  109   2.94 +/- 0.40  98.405% * 99.9027% (0.99  10.0   2.20   6.39) =  99.998%  kept
          HN    PHE   45 - HA2   GLY  109  12.72 +/- 1.87   1.595% *  0.0973% (0.97   1.0   0.02   0.02) =   0.002%
    Distance limit 3.57 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 = 9.36:
      O   HN    GLY  109 - HA2   GLY  109   2.78 +/- 0.25  98.411% * 99.5895% (0.53  10.0   2.20   9.36) =  99.997%  kept
          HN    GLN   90 - HA2   GLY  109  15.16 +/- 3.71   0.991% *  0.1791% (0.95   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HA2   GLY  109  18.81 +/- 0.93   0.346% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  22.53 +/- 4.12   0.252% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.68, residual support = 64.9:
      O   HN    VAL  108 - HB    VAL  108   2.96 +/- 0.48  97.967% * 99.8788% (0.57  10.0   4.68  64.94) =  99.997%  kept
          HN    VAL   43 - HB    VAL  108  11.77 +/- 1.00   2.033% *  0.1212% (0.69   1.0   0.02   0.02) =   0.003%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.136, support = 3.09, residual support = 7.37:
          HN    GLY  109 - QG1   VAL  108   2.57 +/- 0.34  95.436% * 89.7979% (0.14   3.09   7.39) =  99.825%  kept
          HN    GLN   90 - QG1   VAL  108  11.58 +/- 3.28   2.819% *  3.7237% (0.87   0.02   0.02) =   0.122%  kept
          HN    ILE  103 - QG1   VAL  108  13.29 +/- 0.97   0.823% *  2.9487% (0.69   0.02   0.02) =   0.028%
          HN    SER   82 - QG1   VAL  108  17.00 +/- 3.79   0.652% *  2.9487% (0.69   0.02   0.02) =   0.022%
          HN    GLY   16 - QG1   VAL  108  23.76 +/- 4.21   0.270% *  0.5810% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.51, residual support = 64.9:
          HN    VAL  108 - QG1   VAL  108   3.60 +/- 0.15  96.636% * 99.4654% (0.57   4.51  64.94) =  99.981%  kept
          HN    VAL   43 - QG1   VAL  108  11.43 +/- 0.93   3.364% *  0.5346% (0.69   0.02   0.02) =   0.019%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.07, residual support = 64.9:
          HN    VAL  108 - QG2   VAL  108   2.68 +/- 0.65  95.710% * 99.4075% (0.57   4.07  64.94) =  99.973%  kept
          HN    VAL   43 - QG2   VAL  108   9.66 +/- 1.08   4.290% *  0.5925% (0.69   0.02   0.02) =   0.027%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.804, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.45 +/- 1.79  61.403% * 32.6470% (0.80   0.02   0.02) =  61.854%  kept
          HN    SER   82 - QG2   VAL  108  16.63 +/- 3.48  24.900% * 28.0060% (0.69   0.02   0.02) =  21.517%  kept
          HN    GLY   16 - QG2   VAL  108  22.15 +/- 4.12  13.697% * 39.3470% (0.97   0.02   0.02) =  16.630%  kept
    Distance limit 4.41 A violated in 20 structures by 5.66 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  16.66 +/- 2.40 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.96 A violated in 20 structures by 12.70 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 = 5.9:
          HA    LYS+ 106 - QG2   VAL  108   4.96 +/- 0.13 100.000% *100.0000% (0.28   1.42   5.90) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.84 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.56, residual support = 313.7:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.46 +/- 0.21  86.879% * 93.0939% (0.69  10.0  1.00   6.57 315.01) =  99.526%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   5.97 +/- 0.72   7.083% *  5.3164% (0.18   1.0  1.00   4.48  28.90) =   0.463%  kept
          HB3   PRO   93 - HB3   LYS+ 111   9.43 +/- 2.45   2.777% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HB3   LYS+ 111  14.01 +/- 2.27   0.698% *  0.3379% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HB3   LYS+ 111  14.49 +/- 2.52   0.638% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+ 111  15.12 +/- 1.93   0.487% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LYS+ 111  17.94 +/- 2.40   0.305% *  0.1328% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  17.05 +/- 2.13   0.308% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  19.45 +/- 2.44   0.234% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  23.12 +/- 2.94   0.145% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  22.59 +/- 3.84   0.167% *  0.1215% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  25.27 +/- 2.56   0.094% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.94 +/- 1.91   0.125% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  28.54 +/- 2.39   0.061% *  0.0418% (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 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.316, support = 3.57, residual support = 28.3:
          HB3   LYS+ 112 - HB3   LYS+ 111   5.78 +/- 1.58  42.938% * 88.2355% (0.31  1.00   3.64  28.90) =  98.051%  kept
          QG2   VAL  107 - HB3   LYS+ 111   5.32 +/- 1.80  48.185% *  1.1989% (0.76  1.00   0.02   0.02) =   1.495%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.97 +/- 2.83   1.645% *  8.2537% (0.53 10.00   0.02   0.02) =   0.351%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.51 +/- 1.58   5.566% *  0.4362% (0.28  1.00   0.02   0.02) =   0.063%
          HG13  ILE  103 - HB3   LYS+ 111  17.88 +/- 2.20   0.794% *  1.5653% (1.00  1.00   0.02   0.02) =   0.032%
          QB    ALA   20 - HB3   LYS+ 111  21.53 +/- 3.31   0.872% *  0.3105% (0.20  1.00   0.02   0.02) =   0.007%
    Distance limit 3.20 A violated in 1 structures by 0.67 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.97, residual support = 315.0:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.87 +/- 0.16  90.767% * 99.9336% (0.97  10.0   6.97 315.01) =  99.998%  kept
          HA    VAL  108 - HB3   LYS+ 111   7.88 +/- 1.87   7.998% *  0.0160% (0.15   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HB3   LYS+ 111  13.24 +/- 2.67   1.235% *  0.0504% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 315.0:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.88 +/- 0.57  94.519% * 99.6823% (0.73  10.0   5.50 315.01) =  99.997%  kept
          HN    ILE   56 - HB3   LYS+ 111  11.24 +/- 2.19   3.856% *  0.0468% (0.34   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - HB3   LYS+ 111  15.25 +/- 1.63   1.185% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  21.21 +/- 2.91   0.322% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  31.15 +/- 3.18   0.118% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.0:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.04 +/- 0.63  85.588% * 99.5678% (1.00  10.0   7.06 315.01) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  11.71 +/- 2.43   2.212% *  0.0834% (0.84   1.0   0.02   0.02) =   0.002%
          HE21  GLN   32 - HG3   GLN   30  10.11 +/- 1.48   4.126% *  0.0146% (0.15   1.0   0.02   1.74) =   0.001%
          HN    LEU   63 - HB2   LYS+ 111  15.98 +/- 1.65   0.808% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB2   LYS+ 111  21.77 +/- 2.94   0.315% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.17 +/- 0.82   4.735% *  0.0031% (0.03   1.0   0.02  18.12) =   0.000%
          HN    ALA   84 - HG3   GLN   30  20.63 +/- 6.44   0.695% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  16.51 +/- 2.89   0.765% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  31.94 +/- 3.17   0.096% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  23.03 +/- 4.03   0.280% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.47 +/- 3.48   0.192% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.00 +/- 3.22   0.188% *  0.0154% (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 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 314.5:
          HN    LYS+ 111 - HG2   LYS+ 111   3.83 +/- 0.86  83.615% * 94.2786% (0.18   6.52 315.01) =  99.822%  kept
          HN    ILE   56 - HG2   LYS+ 111  12.13 +/- 2.56   7.755% *  0.8037% (0.49   0.02   0.02) =   0.079%
          HZ2   TRP   87 - HG2   LYS+ 111  20.30 +/- 4.91   1.862% *  1.4808% (0.90   0.02   0.02) =   0.035%
          HN    LEU   63 - HG2   LYS+ 111  16.64 +/- 2.27   2.666% *  1.0015% (0.61   0.02   0.02) =   0.034%
          QE    PHE   60 - HG2   LYS+ 111  15.09 +/- 2.87   2.903% *  0.5096% (0.31   0.02   0.02) =   0.019%
          HD21  ASN   28 - HG2   LYS+ 111  26.64 +/- 3.54   0.420% *  1.6366% (0.99   0.02   0.02) =   0.009%
          HN    ALA   84 - HG2   LYS+ 111  21.73 +/- 3.04   0.780% *  0.2892% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.04 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.54, residual support = 314.6:
          HN    LYS+ 111 - HG3   LYS+ 111   3.42 +/- 0.46  75.874% * 96.1454% (0.65   6.55 315.01) =  99.867%  kept
          HN    ILE   56 - HG3   LYS+ 111  12.13 +/- 2.82   3.463% *  2.3518% (0.97   0.11   0.02) =   0.111%  kept
          HN    LEU   63 - HG3   LYS+ 111  16.90 +/- 2.18   0.991% *  0.4529% (1.00   0.02   0.02) =   0.006%
          HN    LEU   63 - HG2   LYS+  74   9.86 +/- 2.65   5.741% *  0.0484% (0.11   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HG3   LYS+ 111  20.03 +/- 4.79   1.301% *  0.1704% (0.38   0.02   0.02) =   0.003%
          HN    ILE   56 - HG2   LYS+  74  14.36 +/- 3.68   4.478% *  0.0468% (0.10   0.02   0.02) =   0.003%
          HN    ALA   84 - HG3   LYS+ 111  21.35 +/- 3.01   0.463% *  0.2936% (0.65   0.02   0.02) =   0.002%
          HD21  ASN   28 - HG2   LYS+  74  14.79 +/- 3.09   4.149% *  0.0275% (0.06   0.02   0.02) =   0.002%
          HD21  ASN   28 - HG3   LYS+ 111  26.39 +/- 3.40   0.228% *  0.2570% (0.57   0.02   0.02) =   0.001%
          HN    ALA   84 - HG2   LYS+  74  14.71 +/- 1.58   1.195% *  0.0314% (0.07   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG2   LYS+  74  16.74 +/- 3.60   0.981% *  0.0182% (0.04   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  19.28 +/- 2.67   0.555% *  0.0314% (0.07   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  32.68 +/- 3.10   0.108% *  0.1132% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.40 +/- 2.27   0.474% *  0.0121% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.89, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   3.75 +/- 0.68  91.850% * 91.7233% (0.09   5.90  32.06) =  99.801%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.58 +/- 1.06   6.465% *  1.7703% (0.11   0.09   0.02) =   0.136%  kept
          HN    VAL   75 - HG3   LYS+ 111  19.46 +/- 2.39   0.972% *  2.9075% (0.80   0.02   0.02) =   0.033%
          HN    ASP-  78 - HG3   LYS+ 111  20.45 +/- 2.18   0.713% *  3.5989% (0.99   0.02   0.02) =   0.030%
    Distance limit 3.93 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.721, support = 1.3, residual support = 3.93:
        T HB2   LEU  115 - HA    LYS+ 112   3.61 +/- 0.73  47.651% * 67.6617% (0.76 10.00   0.75   2.34) =  83.511%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.15 +/- 0.86  23.190% * 16.3647% (0.73  1.00   1.91   0.71) =   9.830%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.41 +/- 0.38  16.927% * 15.0670% (0.18  1.00   7.29  28.90) =   6.606%  kept
          HG3   PRO   58 - HA    LYS+ 112   9.63 +/- 3.24   9.079% *  0.1891% (0.80  1.00   0.02   0.02) =   0.044%
          HB    ILE   19 - HA    LYS+ 112  21.93 +/- 3.67   0.634% *  0.1891% (0.80  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HA    LYS+ 112  19.76 +/- 2.50   0.483% *  0.2048% (0.87  1.00   0.02   0.02) =   0.003%
          HB2   LEU   67 - HA    LYS+ 112  17.33 +/- 1.77   0.569% *  0.0886% (0.38  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    LYS+ 112  28.18 +/- 4.68   0.451% *  0.0886% (0.38  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LYS+ 112  20.64 +/- 4.76   0.525% *  0.0413% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    LYS+ 112  24.27 +/- 4.15   0.248% *  0.0526% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  24.76 +/- 4.50   0.244% *  0.0526% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.832, support = 1.38, residual support = 4.85:
        T QD1   ILE   56 - HA    LYS+ 112   5.42 +/- 2.50  57.157% * 96.5443% (0.84 10.00   1.39   4.91) =  98.722%  kept
          QD2   LEU   73 - HA    LYS+ 112  14.11 +/- 4.76  21.924% *  3.1876% (0.57  1.00   0.68   0.11) =   1.250%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.86 +/- 1.16   4.745% *  0.1535% (0.92  1.00   0.02   0.02) =   0.013%
          QD2   LEU  123 - HA    LYS+ 112  12.65 +/- 1.68  14.008% *  0.0462% (0.28  1.00   0.02   0.02) =   0.012%
          HG    LEU   31 - HA    LYS+ 112  21.96 +/- 3.06   2.165% *  0.0684% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 3.33 A violated in 10 structures by 1.99 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.746, support = 1.3, residual support = 2.57:
          QE    PHE   95 - HA    LYS+ 112   4.17 +/- 1.29  57.442% * 42.4622% (0.57   1.46   4.12) =  52.552%  kept
          QD    PHE   55 - HA    LYS+ 112   6.77 +/- 2.86  39.658% * 55.4951% (0.95   1.14   0.85) =  47.418%  kept
          HN    THR   23 - HA    LYS+ 112  23.58 +/- 4.97   1.082% *  0.5422% (0.53   0.02   0.02) =   0.013%
          HE3   TRP   27 - HA    LYS+ 112  20.24 +/- 3.33   0.469% *  1.0101% (0.98   0.02   0.02) =   0.010%
          HN    LEU   67 - HA    LYS+ 112  16.33 +/- 1.28   0.967% *  0.2039% (0.20   0.02   0.02) =   0.004%
          HN    LYS+  81 - HA    LYS+ 112  22.87 +/- 2.37   0.381% *  0.2865% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.76, residual support = 238.1:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.06  96.757% * 99.7200% (0.92  10.0   5.76 238.06) =  99.998%  kept
          HN    LYS+  74 - HA    LYS+ 112  18.31 +/- 4.12   0.979% *  0.0937% (0.87   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LYS+ 112  13.69 +/- 1.75   1.045% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LYS+ 112  13.02 +/- 1.81   1.168% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  36.83 +/- 4.75   0.052% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 238.0:
          HN    LYS+ 112 - HG2   LYS+ 112   3.85 +/- 0.50  96.490% * 98.9783% (0.41   6.23 238.06) =  99.987%  kept
          HN    ASP-  78 - HG2   LYS+ 112  18.49 +/- 2.87   1.251% *  0.5905% (0.76   0.02   0.02) =   0.008%
          HN    VAL   75 - HG2   LYS+ 112  16.39 +/- 3.42   2.121% *  0.2385% (0.31   0.02   0.02) =   0.005%
          HN    MET   11 - HG2   LYS+ 112  37.42 +/- 5.09   0.138% *  0.1927% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.727, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   8.32 +/- 1.24  34.855% * 30.2011% (0.90   0.02   0.02) =  47.367%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.42 +/- 2.41  35.614% * 17.7173% (0.53   0.02   0.02) =  28.393%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.17 +/- 2.25  20.772% * 15.0977% (0.45   0.02   0.02) =  14.111%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.63 +/- 1.71   6.886% * 31.0863% (0.92   0.02   0.02) =   9.632%  kept
          HN    LYS+  81 - HG2   LYS+ 112  23.21 +/- 3.00   1.874% *  5.8976% (0.18   0.02   0.02) =   0.497%  kept
    Distance limit 4.18 A violated in 15 structures by 2.62 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.6, residual support = 237.6:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.73 +/- 0.52  92.706% * 93.9398% (0.20  10.0 10.00   4.61 238.06) =  99.800%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.20 +/- 2.34   3.552% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.191%  kept
          HG3   MET   96 - HG2   LYS+ 112  16.32 +/- 2.86   1.070% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PHE   45 - HG2   LYS+ 112  13.01 +/- 2.92   2.175% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HG2   LYS+ 112  22.33 +/- 2.78   0.282% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  29.93 +/- 4.10   0.123% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  32.17 +/- 3.72   0.092% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.64, residual support = 237.7:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.67 +/- 0.50  95.114% * 90.7415% (0.20  10.0 10.00   4.65 238.06) =  99.839%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.32 +/- 2.60   2.433% *  4.5447% (0.99   1.0 10.00   0.02   0.02) =   0.128%  kept
          HG3   MET   96 - HG3   LYS+ 112  15.64 +/- 2.65   0.710% *  3.7195% (0.69   1.0  1.00   0.24   0.02) =   0.031%
          HB3   PHE   45 - HG3   LYS+ 112  12.61 +/- 2.95   1.302% *  0.0907% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HG3   LYS+ 112  21.82 +/- 3.01   0.239% *  0.3830% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG3   LYS+ 112  29.58 +/- 3.98   0.123% *  0.3150% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  31.77 +/- 3.48   0.079% *  0.2056% (0.45   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 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.282, support = 1.86, residual support = 4.08:
          QE    PHE   95 - HG3   LYS+ 112   5.22 +/- 2.08  78.785% * 87.5103% (0.28   1.88   4.12) =  99.177%  kept
          HD1   TRP   49 - HG3   LYS+ 112  16.27 +/- 3.90  10.732% *  3.2359% (0.97   0.02   0.02) =   0.500%  kept
          HN    LEU   67 - HG3   LYS+ 112  16.61 +/- 1.37   5.101% *  2.3032% (0.69   0.02   0.02) =   0.169%  kept
          HD2   HIS   22 - HG3   LYS+ 112  24.78 +/- 5.91   1.683% *  3.3531% (1.00   0.02   0.02) =   0.081%
          HN    THR   23 - HG3   LYS+ 112  24.16 +/- 5.02   2.882% *  1.0349% (0.31   0.02   0.02) =   0.043%
          HD21  ASN   35 - HG3   LYS+ 112  28.77 +/- 3.14   0.818% *  2.5625% (0.76   0.02   0.02) =   0.030%
    Distance limit 4.32 A violated in 6 structures by 1.22 A, kept.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 238.0:
          HN    LYS+ 112 - HG3   LYS+ 112   3.35 +/- 0.37  97.566% * 98.9261% (0.41   5.93 238.06) =  99.990%  kept
          HN    ASP-  78 - HG3   LYS+ 112  18.33 +/- 2.83   0.900% *  0.6207% (0.76   0.02   0.02) =   0.006%
          HN    VAL   75 - HG3   LYS+ 112  16.24 +/- 3.03   1.446% *  0.2507% (0.31   0.02   0.02) =   0.004%
          HN    MET   11 - HG3   LYS+ 112  37.29 +/- 4.75   0.087% *  0.2025% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.85, residual support = 238.0:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.32 +/- 0.14  96.884% * 95.1769% (0.20  10.0  1.00   3.85 238.06) =  99.972%  kept
        T HG3   MET   96 - HD2   LYS+ 112  16.53 +/- 3.25   0.529% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.019%
          HB3   ASP-  62 - HD2   LYS+ 112  11.87 +/- 3.15   1.448% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PHE   45 - HD2   LYS+ 112  13.29 +/- 2.93   0.903% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD2   LYS+ 112  22.44 +/- 2.98   0.128% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  30.21 +/- 4.46   0.063% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  32.59 +/- 4.20   0.045% *  0.2156% (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 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 238.0:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.70 +/- 0.25  95.432% * 99.7845% (0.85  10.0   5.70 238.06) =  99.995%  kept
          QG1   VAL   42 - HD3   LYS+ 112  12.37 +/- 3.06   2.278% *  0.1103% (0.94   1.0   0.02   0.02) =   0.003%
          QB    ALA   47 - HD3   LYS+ 112  12.21 +/- 2.69   2.289% *  0.1053% (0.89   1.0   0.02   0.02) =   0.003%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 3.3, residual support = 238.0:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.42 +/- 0.14  97.193% * 98.0934% (0.19  10.0   3.30 238.06) =  99.990%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  12.15 +/- 2.67   1.241% *  0.4913% (0.94   1.0   0.02   0.02) =   0.006%
          HG3   MET   96 - HD3   LYS+ 112  16.99 +/- 3.09   0.465% *  0.3405% (0.65   1.0   0.02   0.02) =   0.002%
          HB3   PHE   45 - HD3   LYS+ 112  13.96 +/- 2.89   0.840% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD3   LYS+ 112  23.05 +/- 2.96   0.144% *  0.4140% (0.79   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  30.68 +/- 4.63   0.069% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  32.85 +/- 4.23   0.048% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.6, residual support = 238.0:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.73 +/- 0.52  76.248% * 99.5374% (0.75  10.0 10.00   4.61 238.06) =  99.975%  kept
          QB    ALA   47 - QE    LYS+ 112  10.44 +/- 2.71   5.651% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.008%
        T HG2   LYS+ 112 - HB3   ASP-  62  11.20 +/- 2.34   2.876% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   42 - QE    LYS+ 112  10.90 +/- 3.12   4.153% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   42 - HB3   ASP-  62   8.30 +/- 2.45   8.910% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   47 - HB3   ASP-  62  12.54 +/- 3.49   2.163% *  0.0215% (0.16   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 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.44, support = 0.808, residual support = 3.98:
          QD1   ILE   56 - QE    LYS+ 112   5.55 +/- 2.65  26.178% * 59.3978% (0.44   0.95   4.91) =  80.628%  kept
          QD2   LEU   73 - QE    LYS+ 112  13.53 +/- 5.21  10.433% * 21.0002% (0.67   0.22   0.11) =  11.361%  kept
          QD1   ILE   56 - HB3   ASP-  62   6.70 +/- 1.76  17.916% *  4.7671% (0.09   0.37   0.02) =   4.429%  kept
          QG2   THR   46 - HB3   ASP-  62   9.61 +/- 3.31  10.538% *  1.8298% (0.05   0.24   0.02) =   1.000%  kept
          QD2   LEU   73 - HB3   ASP-  62  10.63 +/- 2.64   7.636% *  2.1203% (0.14   0.11   0.02) =   0.840%  kept
          QG2   VAL   18 - HB3   ASP-  62  10.95 +/- 3.16   5.915% *  2.2424% (0.07   0.22   0.02) =   0.688%  kept
          QG2   THR   46 - QE    LYS+ 112  10.30 +/- 3.06   7.232% *  0.7375% (0.26   0.02   0.02) =   0.277%  kept
          QG1   VAL   43 - QE    LYS+ 112  12.90 +/- 2.65   3.366% *  1.5457% (0.54   0.02   0.02) =   0.270%  kept
          QG1   VAL   41 - QE    LYS+ 112  16.24 +/- 2.78   2.149% *  1.9957% (0.70   0.02   0.02) =   0.222%  kept
          HG    LEU   31 - QE    LYS+ 112  21.16 +/- 4.16   0.829% *  2.2056% (0.77   0.02   0.02) =   0.095%
          QG2   VAL   18 - QE    LYS+ 112  16.04 +/- 4.00   1.264% *  0.9823% (0.34   0.02   0.02) =   0.064%
          QG1   VAL   41 - HB3   ASP-  62  13.93 +/- 1.74   2.880% *  0.4083% (0.14   0.02   0.02) =   0.061%
          QG1   VAL   43 - HB3   ASP-  62  12.11 +/- 2.03   2.800% *  0.3162% (0.11   0.02   0.02) =   0.046%
          HG    LEU   31 - HB3   ASP-  62  18.43 +/- 2.86   0.863% *  0.4513% (0.16   0.02   0.02) =   0.020%
    Distance limit 3.80 A violated in 5 structures by 0.77 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.802, support = 4.65, residual support = 236.9:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.67 +/- 0.50  78.594% * 95.4401% (0.81  10.0 10.00   4.65 238.06) =  99.402%  kept
          HG    LEU   63 - HB3   ASP-  62   5.90 +/- 1.14  10.707% *  4.1368% (0.15   1.0  1.00   4.56  42.35) =   0.587%  kept
        T HG3   LYS+ 112 - HB3   ASP-  62  11.32 +/- 2.60   2.013% *  0.1953% (0.16   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   63 - QE    LYS+ 112  12.08 +/- 2.15   3.335% *  0.0887% (0.75   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL   24 - QE    LYS+ 112  19.09 +/- 4.06   0.963% *  0.0756% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    LYS+ 112  10.50 +/- 2.02   1.677% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB3   ASP-  62  17.75 +/- 3.32   0.507% *  0.0155% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.73 +/- 3.27   1.155% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.02 +/- 2.34   0.365% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  16.97 +/- 3.90   0.683% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.506, support = 0.02, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   6.69 +/- 1.84  29.747% * 59.7816% (0.51 10.00   0.02   0.02) =  88.924%  kept
          HG13  ILE  119 - QE    LYS+ 112  10.31 +/- 1.84  11.375% *  6.3761% (0.54  1.00   0.02   0.02) =   3.627%  kept
          QB    ALA   20 - QE    LYS+ 112  18.10 +/- 4.05   5.443% *  9.8344% (0.83  1.00   0.02   0.02) =   2.677%  kept
          HG13  ILE  119 - HB3   ASP-  62   7.17 +/- 1.50  25.945% *  1.3045% (0.11  1.00   0.02   0.02) =   1.692%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  15.77 +/- 1.74   2.677% *  8.2327% (0.70  1.00   0.02   0.02) =   1.102%  kept
          QG2   VAL  107 - HB3   ASP-  62  10.70 +/- 2.92  12.303% *  1.2231% (0.10  1.00   0.02   0.02) =   0.752%  kept
          QB    ALA   20 - HB3   ASP-  62  14.12 +/- 2.48   4.629% *  2.0121% (0.17  1.00   0.02   0.02) =   0.466%  kept
          HB3   LEU   31 - QE    LYS+ 112  21.92 +/- 3.80   0.990% *  5.9782% (0.51  1.00   0.02   0.02) =   0.296%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  15.08 +/- 1.60   2.547% *  1.6844% (0.14  1.00   0.02   0.02) =   0.214%  kept
          HG13  ILE  103 - QE    LYS+ 112  17.74 +/- 3.44   1.413% *  1.9506% (0.17  1.00   0.02   0.02) =   0.138%  kept
          HB3   LEU   31 - HB3   ASP-  62  19.62 +/- 2.61   1.293% *  1.2231% (0.10  1.00   0.02   0.02) =   0.079%
          HG13  ILE  103 - HB3   ASP-  62  18.83 +/- 3.41   1.638% *  0.3991% (0.03  1.00   0.02   0.02) =   0.033%
    Distance limit 3.21 A violated in 16 structures by 2.15 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.775, support = 0.891, residual support = 2.71:
          QE    PHE   95 - QE    LYS+ 112   5.85 +/- 2.12  25.522% * 55.8076% (0.82   1.11   4.12) =  57.527%  kept
          QD    PHE   55 - QE    LYS+ 112   5.53 +/- 3.54  36.044% * 27.7935% (0.72   0.62   0.85) =  40.461%  kept
          HN    THR   23 - QE    LYS+ 112  22.08 +/- 5.22   2.581% * 11.9789% (0.81   0.24   0.02) =   1.249%  kept
          QE    PHE   95 - HB3   ASP-  62   8.06 +/- 3.09  13.254% *  0.9506% (0.17   0.09   0.02) =   0.509%  kept
          QD    PHE   55 - HB3   ASP-  62  10.78 +/- 1.59   2.039% *  0.8406% (0.15   0.09   0.02) =   0.069%
          HN    LEU   67 - HB3   ASP-  62   7.52 +/- 1.25  12.521% *  0.1364% (0.11   0.02   0.02) =   0.069%
          HE3   TRP   27 - QE    LYS+ 112  19.36 +/- 4.42   1.319% *  0.8250% (0.67   0.02   0.02) =   0.044%
          HN    LEU   67 - QE    LYS+ 112  15.30 +/- 2.15   1.258% *  0.6665% (0.54   0.02   0.02) =   0.034%
          HD1   TRP   49 - QE    LYS+ 112  14.67 +/- 3.79   1.107% *  0.3180% (0.26   0.02   0.02) =   0.014%
          HD2   HIS   22 - QE    LYS+ 112  22.61 +/- 5.95   1.044% *  0.2039% (0.17   0.02   0.02) =   0.009%
          HN    THR   23 - HB3   ASP-  62  18.70 +/- 3.44   0.783% *  0.2034% (0.16   0.02   0.02) =   0.006%
          HE3   TRP   27 - HB3   ASP-  62  16.13 +/- 2.69   0.877% *  0.1688% (0.14   0.02   0.02) =   0.006%
          HD2   HIS   22 - HB3   ASP-  62  18.71 +/- 4.33   1.108% *  0.0417% (0.03   0.02   0.02) =   0.002%
          HD1   TRP   49 - HB3   ASP-  62  17.58 +/- 4.46   0.542% *  0.0651% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 2 structures by 0.33 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.844, support = 3.21, residual support = 21.9:
          HN    GLU- 114 - QB    ASP- 113   2.79 +/- 0.33  77.902% * 73.1310% (0.84   3.36  23.23) =  93.836%  kept
          HN    GLN  116 - QB    ASP- 113   5.00 +/- 0.21  14.929% * 24.4177% (0.98   0.96   1.90) =   6.004%  kept
          HN    THR  118 - QB    ASP- 113   7.28 +/- 0.72   4.696% *  1.9221% (0.80   0.09   0.02) =   0.149%  kept
          HN    PHE   60 - QB    ASP- 113  11.90 +/- 1.87   2.080% *  0.2954% (0.57   0.02   0.02) =   0.010%
          HN    LEU   71 - QB    ASP- 113  20.30 +/- 3.56   0.394% *  0.2339% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.93 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 = 3.48, residual support = 14.5:
      O   HN    ASP- 113 - QB    ASP- 113   2.23 +/- 0.17  99.633% * 99.9821% (0.98  10.0   3.48  14.45) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.58 +/- 1.81   0.367% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.434, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   7.84 +/- 1.72  74.813% * 39.4133% (0.41 10.00   0.02   0.02) =  87.815%  kept
        T HB3   LYS+  99 - HA    ASP- 113  20.75 +/- 1.85   6.164% * 50.4393% (0.53 10.00   0.02   0.02) =   9.259%  kept
          HB    ILE   89 - HA    ASP- 113  20.20 +/- 2.68   9.745% *  8.8499% (0.92  1.00   0.02   0.02) =   2.568%  kept
          HB    VAL   43 - HA    ASP- 113  17.53 +/- 1.22   9.278% *  1.2975% (0.14  1.00   0.02   0.02) =   0.359%  kept
    Distance limit 3.76 A violated in 19 structures by 4.01 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 4.64, residual support = 51.9:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.04  34.267% * 52.1254% (0.84  10.0   3.88  44.03) =  74.018%  kept
      O   HN    GLN  116 - HA    LEU  115   3.59 +/- 0.04  16.246% * 28.1510% (0.45  10.0   7.87  99.74) =  18.952%  kept
          HN    GLN  116 - HA    GLU- 114   4.40 +/- 0.46   9.607% * 12.9103% (0.98   1.0   4.22   1.87) =   5.139%  kept
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.12   5.612% *  5.3356% (0.38   1.0   4.45  21.22) =   1.241%  kept
          HN    THR  118 - HA    GLU- 114   4.74 +/- 1.00  12.536% *  0.9837% (0.80   1.0   0.39   0.11) =   0.511%  kept
          HN    THR  118 - HA    LEU  115   3.56 +/- 0.51  19.364% *  0.1533% (0.37   1.0   0.13   0.11) =   0.123%  kept
          HN    PHE   60 - HA    LEU  115   8.64 +/- 0.99   1.355% *  0.2645% (0.26   1.0   0.33   0.02) =   0.015%
          HN    PHE   60 - HA    GLU- 114  12.39 +/- 1.22   0.446% *  0.0353% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  16.32 +/- 3.15   0.410% *  0.0129% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.06 +/- 3.70   0.156% *  0.0280% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.656, support = 6.26, residual support = 119.7:
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.05  27.193% * 65.8959% (0.90  10.0   4.85  21.22) =  50.566%  kept
      O   HN    LEU  115 - HA    LEU  115   2.81 +/- 0.05  56.584% * 30.3261% (0.41  10.0   7.79 224.46) =  48.424%  kept
          HN    ASP- 113 - HA    GLU- 114   5.07 +/- 0.20   9.710% *  3.6724% (0.28   1.0   3.60  23.23) =   1.006%  kept
          HN    PHE   97 - HA    LEU  115   9.73 +/- 2.17   1.775% *  0.0303% (0.41   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HA    GLU- 114  12.54 +/- 1.60   0.723% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.84 +/- 0.38   4.015% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 4.27, residual support = 42.5:
      O   HN    GLU- 114 - QB    GLU- 114   2.28 +/- 0.24  77.666% * 75.6321% (0.81  10.0   4.28  44.03) =  96.301%  kept
          HN    GLN  116 - QB    GLU- 114   4.92 +/- 0.39   8.889% * 21.2710% (0.95   1.0   4.79   1.87) =   3.100%  kept
          HN    THR  118 - QB    GLU- 114   5.32 +/- 0.88  12.138% *  3.0050% (0.77   1.0   0.83   0.11) =   0.598%  kept
          HN    PHE   60 - QB    GLU- 114  11.13 +/- 1.24   0.783% *  0.0513% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    GLU- 114  17.81 +/- 3.44   0.524% *  0.0406% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 5.5, residual support = 21.4:
          HN    LEU  115 - QB    GLU- 114   3.06 +/- 0.43  71.779% * 83.4349% (0.87   5.63  21.22) =  93.363%  kept
          HN    ASP- 113 - QB    GLU- 114   4.47 +/- 0.29  26.131% * 16.2690% (0.27   3.54  23.23) =   6.627%  kept
          HN    PHE   97 - QB    GLU- 114  10.45 +/- 1.46   2.090% *  0.2961% (0.87   0.02   0.02) =   0.010%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.858, support = 4.29, residual support = 36.4:
          HN    GLU- 114 - QG    GLU- 114   2.63 +/- 0.50  72.734% * 46.7644% (0.83   4.42  44.03) =  81.883%  kept
          HN    GLN  116 - QG    GLU- 114   5.03 +/- 0.75  14.474% * 48.8292% (0.98   3.93   1.87) =  17.015%  kept
          HN    THR  118 - QG    GLU- 114   5.74 +/- 1.08  10.978% *  4.1494% (0.80   0.41   0.11) =   1.097%  kept
          HN    PHE   60 - QG    GLU- 114  11.07 +/- 1.33   1.471% *  0.1434% (0.56   0.02   0.02) =   0.005%
          HN    LEU   71 - QG    GLU- 114  17.70 +/- 3.13   0.343% *  0.1136% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.72, residual support = 21.2:
          HN    LEU  115 - QG    GLU- 114   3.12 +/- 1.07  94.165% * 98.5247% (0.45   5.72  21.22) =  99.977%  kept
          HN    PHE   97 - QG    GLU- 114  10.23 +/- 1.34   5.071% *  0.3444% (0.45   0.02   0.02) =   0.019%
          HN    ASN   35 - QG    GLU- 114  22.36 +/- 2.55   0.581% *  0.4042% (0.52   0.02   0.02) =   0.003%
          HN    ALA   12 - QG    GLU- 114  31.33 +/- 4.74   0.182% *  0.7267% (0.94   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 1.05, residual support = 4.59:
          QG1   VAL  107 - QG    GLU- 114   3.86 +/- 0.98  64.259% * 55.9960% (0.98   1.11   5.56) =  80.116%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.36 +/- 1.72  23.657% * 36.1204% (0.83   0.84   0.71) =  19.026%  kept
          HG13  ILE  119 - QG    GLU- 114   9.49 +/- 1.53   5.322% *  6.4931% (0.22   0.57   0.02) =   0.769%  kept
          QG1   VAL   24 - QG    GLU- 114  18.33 +/- 3.85   3.552% *  0.9525% (0.92   0.02   0.02) =   0.075%
          QG2   VAL   24 - QG    GLU- 114  18.12 +/- 3.51   2.638% *  0.1807% (0.17   0.02   0.02) =   0.011%
          HB3   LEU   31 - QG    GLU- 114  19.54 +/- 2.06   0.573% *  0.2573% (0.25   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 0 structures by 0.38 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 1.73, residual support = 5.53:
        T QG2   VAL  107 - QB    GLU- 114   3.51 +/- 1.57  72.051% * 97.1260% (0.59 10.00   1.74   5.56) =  99.459%  kept
          HG13  ILE  119 - QB    GLU- 114   9.34 +/- 1.09  15.183% *  2.3876% (0.62  1.00   0.40   0.02) =   0.515%  kept
          QB    ALA   20 - QB    GLU- 114  18.57 +/- 3.20   4.472% *  0.1840% (0.96  1.00   0.02   0.02) =   0.012%
          HG2   LYS+ 121 - QB    GLU- 114  10.69 +/- 2.02   4.718% *  0.1540% (0.81  1.00   0.02   0.02) =   0.010%
          HB3   LEU   31 - QB    GLU- 114  19.76 +/- 2.51   1.398% *  0.1119% (0.59  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QB    GLU- 114  14.02 +/- 1.95   2.178% *  0.0365% (0.19  1.00   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 3 structures by 0.72 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.907, support = 6.53, residual support = 217.8:
      O T HA    LEU  115 - HB3   LEU  115   2.42 +/- 0.27  83.936% * 66.5643% (0.92  10.0 10.00   6.62 224.46) =  96.722%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.32 +/- 0.30   5.832% * 32.3284% (0.45   1.0 10.00   3.82  21.22) =   3.264%  kept
        T HA    ARG+  54 - HB3   LEU  115  11.34 +/- 1.64   1.047% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.011%
          HA    ASN   28 - HB3   LEU  115  20.72 +/- 3.12   0.526% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - HB3   LEU   40  15.58 +/- 2.10   0.438% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB3   LEU   40   8.31 +/- 1.02   2.717% *  0.0068% (0.09   1.0  1.00   0.02   0.46) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.10 +/- 1.28   0.276% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  21.58 +/- 4.44   0.197% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  20.80 +/- 2.60   0.238% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.69 +/- 2.83   0.286% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  16.41 +/- 7.22   0.980% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  24.00 +/- 3.88   0.462% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.17 +/- 2.35   0.393% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.38 +/- 2.00   0.132% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.55 +/- 2.44   0.628% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  11.84 +/- 1.84   0.854% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.38 +/- 1.89   0.173% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  26.32 +/- 2.57   0.094% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.86 +/- 0.95   0.640% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.75 +/- 2.60   0.151% *  0.0026% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.41, residual support = 224.5:
      O T QD1   LEU  115 - HB3   LEU  115   2.46 +/- 0.38  96.515% * 99.7570% (0.87  10.0 10.00   6.41 224.46) =  99.997%  kept
          QG1   VAL   75 - HB3   LEU  115  10.63 +/- 1.34   1.597% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  115 - HB3   LEU   40  13.66 +/- 2.19   0.718% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HB3   LEU   40  12.41 +/- 1.46   1.170% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.447, support = 7.53, residual support = 223.4:
      O T QD2   LEU  115 - HB3   LEU  115   2.79 +/- 0.41  46.426% * 96.3655% (0.45  10.0 10.00   7.56 224.46) =  99.491%  kept
          QG2   VAL   41 - HB3   LEU   40   5.78 +/- 0.56   6.763% *  1.9689% (0.04   1.0  1.00   4.16  20.98) =   0.296%  kept
          QD1   LEU   63 - HB3   LEU  115   7.52 +/- 2.51   7.599% *  0.7785% (0.80   1.0  1.00   0.09   0.02) =   0.132%  kept
          QD1   LEU   73 - HB3   LEU  115  12.55 +/- 5.29  14.007% *  0.1721% (0.80   1.0  1.00   0.02   0.02) =   0.054%
          QD2   LEU   63 - HB3   LEU  115   8.54 +/- 2.26   4.135% *  0.1984% (0.92   1.0  1.00   0.02   0.02) =   0.018%
          QD2   LEU   63 - HB3   LEU   40   8.46 +/- 2.23   3.004% *  0.0233% (0.11   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HB3   LEU   40  13.46 +/- 1.69   0.527% *  0.1131% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU  115  13.12 +/- 1.79   0.576% *  0.0807% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   7.28 +/- 1.63   7.932% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   LEU   40   9.38 +/- 2.25   2.111% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU  115  12.74 +/- 2.06   0.684% *  0.0479% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  115  17.16 +/- 2.67   0.281% *  0.0884% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU  115  13.13 +/- 1.50   0.515% *  0.0479% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB3   LEU   40  10.22 +/- 1.57   1.185% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   40   7.54 +/- 1.49   3.352% *  0.0056% (0.03   1.0  1.00   0.02   9.79) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.61 +/- 3.08   0.278% *  0.0479% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.73 +/- 3.24   0.338% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.63 +/- 3.62   0.287% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.949, support = 7.65, residual support = 86.7:
          HN    GLN  116 - HB3   LEU  115   3.85 +/- 0.53  35.339% * 67.4589% (0.98   8.55  99.74) =  84.913%  kept
          HN    GLU- 114 - HB3   LEU  115   5.64 +/- 0.51  11.981% * 22.1440% (0.84   3.29  21.22) =   9.450%  kept
          HN    THR  118 - HB3   LEU  115   5.48 +/- 0.51  14.931% *  8.3308% (0.80   1.29   0.11) =   4.430%  kept
          HN    LEU   71 - HB3   LEU   40   5.17 +/- 3.30  28.039% *  0.9760% (0.05   2.31   1.80) =   0.975%  kept
          HN    PHE   60 - HB3   LEU  115   7.30 +/- 1.27   6.695% *  0.9580% (0.57   0.21   0.02) =   0.228%  kept
          HN    LEU   71 - HB3   LEU  115  16.09 +/- 3.14   0.874% *  0.0722% (0.45   0.02   0.02) =   0.002%
          HN    THR  118 - HB3   LEU   40  15.46 +/- 3.12   0.648% *  0.0151% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  14.99 +/- 2.84   0.770% *  0.0107% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  17.44 +/- 2.33   0.386% *  0.0185% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  19.51 +/- 2.85   0.336% *  0.0158% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 7.51, residual support = 224.1:
      O   HN    LEU  115 - HB3   LEU  115   3.15 +/- 0.45  82.881% * 98.4638% (0.90  10.0   7.53 224.46) =  99.832%  kept
          HN    ASP- 113 - HB3   LEU  115   6.62 +/- 0.79   9.469% *  1.4110% (0.28   1.0   0.92   0.02) =   0.163%  kept
          HN    PHE   97 - HB3   LEU  115  10.20 +/- 1.67   3.650% *  0.0985% (0.90   1.0   0.02   0.02) =   0.004%
          HN    PHE   97 - HB3   LEU   40  10.61 +/- 1.28   2.721% *  0.0116% (0.11   1.0   0.02   1.65) =   0.000%
          HN    LEU  115 - HB3   LEU   40  17.60 +/- 2.36   0.784% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  20.93 +/- 2.85   0.495% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 0.75, residual support = 2.34:
        T HA    LYS+ 112 - HB2   LEU  115   3.61 +/- 0.73  87.463% * 95.9422% (0.69 10.00   0.75   2.34) =  99.842%  kept
          HB2   HIS  122 - HB2   LEU  115  12.75 +/- 1.48   3.178% *  3.8310% (0.41  1.00   0.50   0.02) =   0.145%  kept
          HB2   HIS   22 - HB2   LEU  115  23.07 +/- 5.55   4.812% *  0.1531% (0.41  1.00   0.02   0.02) =   0.009%
          HB    THR   46 - HB2   LEU  115  12.34 +/- 2.28   4.547% *  0.0737% (0.20  1.00   0.02   0.02) =   0.004%
    Distance limit 3.78 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.966, support = 1.52, residual support = 7.37:
          QE    PHE   95 - HB2   LEU  115   3.35 +/- 0.73  69.317% * 49.0594% (0.98   1.50   8.17) =  88.010%  kept
          QD    PHE   55 - HB2   LEU  115   8.12 +/- 2.24   9.212% * 48.9925% (0.87   1.69   1.50) =  11.680%  kept
          HN    THR   23 - HB2   LEU  115  21.63 +/- 5.00  15.473% *  0.6440% (0.97   0.02   0.02) =   0.258%  kept
          HE3   TRP   27 - HB2   LEU  115  17.91 +/- 3.55   2.001% *  0.5344% (0.80   0.02   0.02) =   0.028%
          HN    LEU   67 - HB2   LEU  115  14.58 +/- 1.70   1.085% *  0.4317% (0.65   0.02   0.02) =   0.012%
          HD2   HIS   22 - HB2   LEU  115  22.42 +/- 5.58   1.806% *  0.1321% (0.20   0.02   0.02) =   0.006%
          HD1   TRP   49 - HB2   LEU  115  17.23 +/- 2.70   1.106% *  0.2060% (0.31   0.02   0.02) =   0.006%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.761, support = 7.2, residual support = 92.4:
          HN    GLN  116 - HB2   LEU  115   3.52 +/- 0.52  54.869% * 80.5659% (0.80   7.55  99.74) =  90.779%  kept
          HN    GLU- 114 - HB2   LEU  115   4.79 +/- 0.48  24.050% * 17.8706% (0.34   3.93  21.22) =   8.826%  kept
          HN    THR  118 - HB2   LEU  115   5.74 +/- 0.42  14.631% *  1.2022% (0.98   0.09   0.11) =   0.361%  kept
          HN    PHE   60 - HB2   LEU  115   8.11 +/- 1.15   6.173% *  0.2613% (0.98   0.02   0.02) =   0.033%
          HN    GLU-  15 - HB2   LEU  115  25.27 +/- 4.25   0.276% *  0.1000% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.895, support = 7.32, residual support = 223.8:
      O   HN    LEU  115 - HB2   LEU  115   2.40 +/- 0.37  90.234% * 96.9564% (0.90  10.0   7.34 224.46) =  99.715%  kept
          HN    ASP- 113 - HB2   LEU  115   5.73 +/- 0.79   8.429% *  2.9467% (0.28   1.0   1.96   0.02) =   0.283%  kept
          HN    PHE   97 - HB2   LEU  115  10.86 +/- 1.37   1.337% *  0.0970% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.606, support = 6.37, residual support = 76.7:
      O   HN    GLN  116 - HA    LEU  115   3.59 +/- 0.04  15.705% * 66.5562% (0.82  10.0   7.87  99.74) =  62.417%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.04  33.123% * 15.5177% (0.19  10.0   3.88  44.03) =  30.693%  kept
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.12   5.425% * 12.6146% (0.70   1.0   4.45  21.22) =   4.087%  kept
          HN    GLN  116 - HA    GLU- 114   4.40 +/- 0.46   9.289% *  3.8434% (0.22   1.0   4.22   1.87) =   2.132%  kept
          HN    THR  118 - HA    LEU  115   3.56 +/- 0.51  18.718% *  0.3625% (0.67   1.0   0.13   0.11) =   0.405%  kept
          HN    THR  118 - HA    GLU- 114   4.74 +/- 1.00  12.125% *  0.2928% (0.18   1.0   0.39   0.11) =   0.212%  kept
          HN    PHE   60 - HA    LEU  115   8.64 +/- 0.99   1.311% *  0.6253% (0.47   1.0   0.33   0.02) =   0.049%
          HN    PHE   60 - HA    ARG+  54   8.09 +/- 1.60   2.183% *  0.0216% (0.27   1.0   0.02   0.02) =   0.003%
          HN    GLN  116 - HA    ARG+  54  12.67 +/- 1.85   0.478% *  0.0373% (0.46   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  16.32 +/- 3.15   0.396% *  0.0304% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  14.28 +/- 1.50   0.283% *  0.0318% (0.39   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HA    ARG+  54  15.42 +/- 1.87   0.242% *  0.0305% (0.37   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.39 +/- 1.22   0.431% *  0.0105% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  20.07 +/- 4.18   0.141% *  0.0171% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.06 +/- 3.70   0.151% *  0.0083% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.684, support = 7.44, residual support = 200.4:
      O   HN    LEU  115 - HA    LEU  115   2.81 +/- 0.05  55.681% * 77.4154% (0.75  10.0   7.79 224.46) =  88.170%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.05  26.758% * 21.1813% (0.20  10.0   4.85  21.22) =  11.593%  kept
          HN    ASP- 113 - HA    GLU- 114   5.07 +/- 0.20   9.555% *  1.1805% (0.06   1.0   3.60  23.23) =   0.231%  kept
          HN    PHE   97 - HA    LEU  115   9.73 +/- 2.17   1.746% *  0.0774% (0.75   1.0   0.02   0.02) =   0.003%
          HN    ASP- 113 - HA    LEU  115   6.84 +/- 0.38   3.951% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  12.87 +/- 1.43   0.667% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    GLU- 114  12.54 +/- 1.60   0.712% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  18.52 +/- 3.04   0.303% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.32 +/- 1.86   0.627% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.773, support = 7.39, residual support = 222.6:
          HN    LEU  115 - HG    LEU  115   3.51 +/- 0.88  71.392% * 94.8744% (0.78   7.45 224.46) =  99.148%  kept
          HN    ASP- 113 - HG    LEU  115   6.24 +/- 1.43  13.679% *  2.8453% (0.24   0.72   0.02) =   0.570%  kept
          HN    PHE   97 - HG    LEU   40   9.04 +/- 1.22   9.536% *  1.9122% (0.26   0.44   1.65) =   0.267%  kept
          HN    PHE   97 - HG    LEU  115  11.40 +/- 1.45   3.601% *  0.2548% (0.78   0.02   0.02) =   0.013%
          HN    LEU  115 - HG    LEU   40  15.97 +/- 1.94   1.057% *  0.0865% (0.26   0.02   0.02) =   0.001%
          HN    ASP- 113 - HG    LEU   40  19.22 +/- 2.55   0.735% *  0.0268% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.15 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   9.64 +/- 1.35 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.93 A violated in 20 structures by 5.72 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 1.39, residual support = 6.35:
          QE    PHE   95 - QD1   LEU  115   2.86 +/- 1.00  59.989% * 43.5315% (0.57   1.50   8.17) =  72.702%  kept
          QD    PHE   55 - QD1   LEU  115   5.93 +/- 1.81  17.716% * 54.4363% (0.95   1.12   1.50) =  26.848%  kept
          HE3   TRP   27 - QD1   LEU  115  14.50 +/- 3.44  10.731% *  1.0049% (0.98   0.02   0.02) =   0.300%  kept
          HN    THR   23 - QD1   LEU  115  17.49 +/- 4.13   8.919% *  0.5394% (0.53   0.02   0.02) =   0.134%  kept
          HN    LEU   67 - QD1   LEU  115  10.95 +/- 1.42   2.268% *  0.2029% (0.20   0.02   0.02) =   0.013%
          HN    LYS+  81 - QD1   LEU  115  17.94 +/- 2.21   0.376% *  0.2850% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.19 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.4, residual support = 28.2:
          QD    PHE   59 - QD1   LEU  115   2.73 +/- 0.75  79.632% * 91.4598% (0.95   4.43  28.43) =  99.322%  kept
          HD1   TRP   27 - QD1   LEU  115  16.84 +/- 3.61   5.639% *  7.7538% (0.95   0.38   0.02) =   0.596%  kept
          HE21  GLN   30 - QD1   LEU  115  16.10 +/- 4.18  11.553% *  0.4216% (0.97   0.02   0.02) =   0.066%
          HH2   TRP   49 - QD1   LEU  115  11.68 +/- 2.63   3.176% *  0.3649% (0.84   0.02   0.02) =   0.016%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.35, residual support = 8.17:
          QD    PHE   95 - QD2   LEU  115   4.20 +/- 1.43  91.998% * 99.5266% (0.84   1.35   8.17) =  99.959%  kept
          HN    ALA   47 - QD2   LEU  115  11.42 +/- 1.76   8.002% *  0.4734% (0.27   0.02   0.02) =   0.041%
    Distance limit 3.52 A violated in 5 structures by 0.97 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.61, residual support = 28.3:
          QE    PHE   59 - QD2   LEU  115   3.07 +/- 0.79  57.977% * 77.8514% (0.89   2.87  28.43) =  88.784%  kept
          HN    PHE   59 - QD2   LEU  115   4.62 +/- 1.73  36.304% * 15.0243% (0.93   0.53  28.43) =  10.729%  kept
          HN    HIS  122 - QD2   LEU  115   8.38 +/- 1.20   3.653% *  6.6408% (0.43   0.50   0.02) =   0.477%  kept
          HN    LYS+  66 - QD2   LEU  115  10.79 +/- 1.23   1.589% *  0.2632% (0.43   0.02   0.02) =   0.008%
          HH2   TRP   87 - QD2   LEU  115  16.19 +/- 3.19   0.476% *  0.2203% (0.36   0.02   0.02) =   0.002%
    Distance limit 2.95 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 3.91, residual support = 15.7:
        T QD1   ILE  119 - HA    GLN  116   2.96 +/- 0.73  85.513% * 99.5742% (0.61 10.00   3.91  15.67) =  99.991%  kept
          QD1   LEU   67 - HA    GLN  116  12.07 +/- 3.29   3.548% *  0.0560% (0.34  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    GLN  116  12.30 +/- 2.15   2.789% *  0.0616% (0.38  1.00   0.02   0.02) =   0.002%
          HB    VAL   75 - HA    GLN  116  15.82 +/- 2.07   1.006% *  0.1553% (0.95  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    GLN  116  11.73 +/- 1.42   2.127% *  0.0325% (0.20  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  17.56 +/- 4.06   2.307% *  0.0288% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    GLN  116  14.62 +/- 2.95   1.248% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  13.47 +/- 1.64   1.462% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.924, support = 6.12, residual support = 97.5:
          QD2   LEU  115 - HA    GLN  116   3.00 +/- 1.18  62.834% * 92.5945% (0.92   6.25  99.74) =  97.760%  kept
          QD1   LEU   63 - HA    GLN  116   8.04 +/- 2.55  20.420% *  6.3592% (0.98   0.40   0.02) =   2.182%  kept
          QD1   LEU   73 - HA    GLN  116  14.98 +/- 5.03   4.862% *  0.3144% (0.98   0.02   0.02) =   0.026%
          QD2   LEU   63 - HA    GLN  116   8.79 +/- 2.26   8.953% *  0.1438% (0.45   0.02   0.02) =   0.022%
          QD1   LEU  104 - HA    GLN  116  13.37 +/- 2.68   2.074% *  0.2203% (0.69   0.02   0.02) =   0.008%
          QD2   LEU   80 - HA    GLN  116  20.24 +/- 2.93   0.404% *  0.2877% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    GLN  116  18.92 +/- 2.89   0.453% *  0.0800% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 3.03, residual support = 15.7:
          HN    ILE  119 - HA    GLN  116   3.39 +/- 0.29  97.416% * 97.6400% (0.57   3.03  15.67) =  99.979%  kept
          HN    CYS   21 - HA    GLN  116  19.97 +/- 4.78   1.367% *  1.1001% (0.97   0.02   0.02) =   0.016%
          HN    LYS+  33 - HA    GLN  116  24.17 +/- 3.71   0.422% *  0.6454% (0.57   0.02   0.02) =   0.003%
          HN    ILE   89 - HA    GLN  116  21.63 +/- 2.60   0.471% *  0.3888% (0.34   0.02   0.02) =   0.002%
          HN    SER   37 - HA    GLN  116  24.21 +/- 2.73   0.324% *  0.2256% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.974, support = 6.69, residual support = 115.9:
      O   HN    GLN  116 - HA    GLN  116   2.76 +/- 0.06  67.888% * 88.7303% (0.98  10.0   6.83 119.68) =  96.799%  kept
          HN    THR  118 - HA    GLN  116   4.26 +/- 0.44  20.603% *  9.2018% (0.80   1.0   2.54   0.12) =   3.047%  kept
          HN    GLU- 114 - HA    GLN  116   6.75 +/- 0.31   4.701% *  1.9761% (0.84   1.0   0.52   1.87) =   0.149%  kept
          HN    PHE   60 - HA    GLN  116   7.72 +/- 1.81   5.723% *  0.0512% (0.57   1.0   0.02   0.02) =   0.005%
          HN    LEU   71 - HA    GLN  116  16.88 +/- 3.83   1.085% *  0.0406% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 0.704, residual support = 1.77:
          HA    ASP- 113 - HB2   GLN  116   3.23 +/- 0.69  80.828% * 39.5524% (0.49  1.00   0.75   1.90) =  93.000%  kept
        T HA    PRO   58 - HB2   GLN  116  10.41 +/- 2.27   4.255% * 49.4813% (0.41 10.00   0.11   0.02) =   6.125%  kept
          HA    ILE   56 - HB2   GLN  116   8.07 +/- 1.88  10.849% *  2.0912% (0.97  1.00   0.02   0.02) =   0.660%  kept
          HA    LEU  123 - HB2   GLN  116  12.28 +/- 1.33   2.299% *  2.1621% (1.00  1.00   0.02   0.02) =   0.145%  kept
          HA    LYS+  99 - HB2   GLN  116  20.28 +/- 1.53   0.491% *  1.8099% (0.84  1.00   0.02   0.02) =   0.026%
          HA    LEU   40 - HB2   GLN  116  19.37 +/- 1.95   0.563% *  1.2268% (0.57  1.00   0.02   0.02) =   0.020%
          HA    ASN   35 - HB2   GLN  116  25.68 +/- 2.52   0.217% *  2.0498% (0.95  1.00   0.02   0.02) =   0.013%
          HA    GLU-  15 - HB2   GLN  116  25.52 +/- 4.99   0.335% *  0.8133% (0.38  1.00   0.02   0.02) =   0.008%
          HA    SER   13 - HB2   GLN  116  30.43 +/- 5.51   0.163% *  0.8133% (0.38  1.00   0.02   0.02) =   0.004%
    Distance limit 3.80 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.454, support = 6.86, residual support = 98.5:
          QD2   LEU  115 - HB2   GLN  116   3.79 +/- 1.14  64.228% * 90.5474% (0.45   6.95  99.74) =  98.729%  kept
          QD2   LEU   63 - HB2   GLN  116  10.60 +/- 2.28   8.295% *  7.6762% (0.92   0.29   0.02) =   1.081%  kept
          QD1   LEU   63 - HB2   GLN  116   9.79 +/- 2.62  16.225% *  0.4655% (0.80   0.02   0.02) =   0.128%  kept
          QD1   LEU   73 - HB2   GLN  116  16.46 +/- 5.21   5.955% *  0.4655% (0.80   0.02   0.02) =   0.047%
          QG2   VAL   41 - HB2   GLN  116  16.53 +/- 1.64   1.215% *  0.2182% (0.38   0.02   0.02) =   0.004%
          QD1   LEU  104 - HB2   GLN  116  14.91 +/- 2.06   1.822% *  0.1294% (0.22   0.02   0.02) =   0.004%
          QD2   LEU   80 - HB2   GLN  116  21.28 +/- 2.82   0.612% *  0.2390% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB2   GLN  116  16.56 +/- 1.10   1.034% *  0.1294% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  21.69 +/- 3.23   0.615% *  0.1294% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 6.83, residual support = 98.0:
          QD2   LEU  115 - HG2   GLN  116   3.94 +/- 1.28  61.105% * 94.4733% (1.00   6.95  99.74) =  98.287%  kept
          QD1   LEU   63 - HG2   GLN  116   8.88 +/- 2.45  21.390% *  4.5945% (0.84   0.40   0.02) =   1.673%  kept
          QD1   LEU   73 - HG2   GLN  116  16.23 +/- 5.06   4.946% *  0.2272% (0.84   0.02   0.02) =   0.019%
          QD2   LEU   63 - HG2   GLN  116   9.63 +/- 2.03  10.176% *  0.0678% (0.25   0.02   0.02) =   0.012%
          QD1   LEU  104 - HG2   GLN  116  14.67 +/- 2.23   1.442% *  0.2439% (0.90   0.02   0.02) =   0.006%
          QD2   LEU   80 - HG2   GLN  116  21.33 +/- 3.13   0.444% *  0.2714% (1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HG2   GLN  116  20.01 +/- 3.09   0.496% *  0.1219% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 4.46, residual support = 119.5:
      O   HE21  GLN  116 - HG2   GLN  116   2.87 +/- 0.59  75.109% * 99.1612% (0.65  10.0   4.47 119.68) =  99.844%  kept
          HN    ALA  120 - HG2   GLN  116   6.10 +/- 1.37  20.131% *  0.5504% (0.28   1.0   0.26   0.18) =   0.149%  kept
          HN    ALA   57 - HG2   GLN  116   9.43 +/- 2.31   4.507% *  0.1113% (0.73   1.0   0.02   0.02) =   0.007%
          HE21  GLN   90 - HG2   GLN  116  25.73 +/- 3.15   0.148% *  0.1503% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  26.79 +/- 3.28   0.106% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.805, support = 6.91, residual support = 114.6:
          HN    GLN  116 - HG2   GLN  116   3.35 +/- 0.73  62.037% * 85.2320% (0.80   7.19 119.68) =  95.716%  kept
          HN    THR  118 - HG2   GLN  116   5.84 +/- 0.88  17.954% * 11.7038% (0.98   0.81   0.12) =   3.804%  kept
          HN    GLU- 114 - HG2   GLN  116   6.61 +/- 1.09   8.741% *  2.6627% (0.34   0.53   1.87) =   0.421%  kept
          HN    PHE   60 - HG2   GLN  116   8.73 +/- 2.45  11.021% *  0.2904% (0.98   0.02   0.02) =   0.058%
          HN    GLU-  15 - HG2   GLN  116  25.76 +/- 4.52   0.248% *  0.1112% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.704, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HB2   GLN  116   7.50 +/- 0.77  44.531% * 15.3326% (0.76   0.02   0.02) =  54.972%  kept
          QD    PHE   55 - HB2   GLN  116   8.76 +/- 2.01  33.004% *  6.8436% (0.34   0.02   0.02) =  18.185%  kept
          HN    LEU   67 - HB2   GLN  116  16.11 +/- 2.69   6.241% * 20.0629% (1.00   0.02   0.02) =  10.080%  kept
          HN    THR   23 - HB2   GLN  116  24.73 +/- 5.42   5.893% * 16.0651% (0.80   0.02   0.02) =   7.622%  kept
          HD1   TRP   49 - HB2   GLN  116  20.46 +/- 2.68   2.859% * 16.7579% (0.84   0.02   0.02) =   3.858%  kept
          HD2   HIS   22 - HB2   GLN  116  25.16 +/- 6.20   2.918% * 13.7814% (0.69   0.02   0.02) =   3.237%  kept
          HE3   TRP   27 - HB2   GLN  116  21.19 +/- 3.94   3.421% *  5.5782% (0.28   0.02   0.02) =   1.537%  kept
          HD21  ASN   35 - HB2   GLN  116  27.51 +/- 3.02   1.134% *  5.5782% (0.28   0.02   0.02) =   0.509%  kept
    Distance limit 3.87 A violated in 19 structures by 2.99 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.35, residual support = 118.6:
      O   HN    GLN  116 - HB2   GLN  116   2.24 +/- 0.16  84.099% * 89.9109% (0.98  10.0   7.41 119.68) =  99.100%  kept
          HN    GLU- 114 - HB2   GLN  116   5.26 +/- 0.55   7.251% *  6.3236% (0.84   1.0   1.65   1.87) =   0.601%  kept
          HN    THR  118 - HB2   GLN  116   5.49 +/- 0.37   6.176% *  3.6725% (0.80   1.0   1.00   0.12) =   0.297%  kept
          HN    PHE   60 - HB2   GLN  116   9.40 +/- 2.12   2.170% *  0.0519% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HB2   GLN  116  19.32 +/- 3.68   0.303% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 28.7:
          HN    SER  117 - HB2   GLN  116   3.40 +/- 0.40  99.118% * 99.5620% (0.98   4.91  28.66) =  99.998%  kept
          HN    GLY   16 - HB2   GLN  116  24.01 +/- 5.14   0.644% *  0.3458% (0.84   0.02   0.02) =   0.002%
          HN    SER   82 - HB2   GLN  116  27.06 +/- 2.79   0.238% *  0.0922% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 28.7:
      O   HN    SER  117 - HA    GLN  116   3.56 +/- 0.06  98.723% * 99.8922% (0.98  10.0   4.91  28.66) =  99.999%  kept
          HN    GLY   16 - HA    GLN  116  21.80 +/- 4.80   0.998% *  0.0851% (0.84   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    GLN  116  26.18 +/- 2.76   0.279% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.92, support = 2.0, residual support = 5.18:
        T QB    ALA  120 - HA    SER  117   3.27 +/- 0.54  66.163% * 88.9178% (0.92 10.00   2.00   5.22) =  98.831%  kept
          HG    LEU  115 - HA    SER  117   7.94 +/- 0.84   5.628% *  6.4946% (0.92  1.00   1.46   2.27) =   0.614%  kept
          HB3   LEU  115 - HA    SER  117   7.93 +/- 0.34   5.421% *  3.2915% (0.38  1.00   1.82   2.27) =   0.300%  kept
          HD2   LYS+ 121 - HA    SER  117   6.70 +/- 1.99  19.181% *  0.7768% (0.18  1.00   0.92   0.02) =   0.250%  kept
        T QG2   THR   26 - HA    SER  117  22.14 +/- 4.41   0.528% *  0.2678% (0.28 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    SER  117  17.46 +/- 3.20   0.639% *  0.0963% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    SER  117  17.53 +/- 4.71   0.853% *  0.0469% (0.49  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    SER  117  16.06 +/- 3.30   0.837% *  0.0362% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    SER  117  21.86 +/- 2.97   0.296% *  0.0507% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.48 +/- 1.43   0.453% *  0.0214% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.561, support = 1.84, residual support = 23.2:
          HE21  GLN  116 - HA    SER  117   5.21 +/- 2.00  39.398% * 81.2287% (0.65   2.10  28.66) =  76.684%  kept
          HN    ALA  120 - HA    SER  117   3.64 +/- 0.29  58.813% * 16.5195% (0.28   0.99   5.22) =  23.280%  kept
          HN    ALA   57 - HA    SER  117  13.38 +/- 1.41   1.383% *  0.8691% (0.73   0.02   0.02) =   0.029%
          HE21  GLN   90 - HA    SER  117  27.69 +/- 2.90   0.185% *  1.1731% (0.98   0.02   0.02) =   0.005%
          HD21  ASN   35 - HA    SER  117  25.92 +/- 3.51   0.221% *  0.2096% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.81 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 = 3.65, residual support = 15.4:
      O   HN    SER  117 - HA    SER  117   2.76 +/- 0.06  98.077% * 99.9049% (0.57  10.0   3.65  15.42) =  99.999%  kept
          HN    GLY   16 - HA    SER  117  23.34 +/- 5.54   1.641% *  0.0602% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   20 - HA    SER  117  24.14 +/- 4.57   0.282% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.3, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  11.21 +/- 1.45   6.265% * 14.4446% (0.49   0.02   0.02) =  16.406%  kept
          QD    PHE   60 - QB    SER  117  11.40 +/- 1.82   7.124% * 12.2000% (0.41   0.02   0.02) =  15.755%  kept
          HN    LYS+  81 - QB    SER   85   7.13 +/- 0.49  22.976% *  3.4992% (0.12   0.02   0.02) =  14.575%  kept
          QE    PHE   95 - QB    SER  117   8.05 +/- 0.90  16.245% *  4.5788% (0.15   0.02   0.02) =  13.484%  kept
          HN    LYS+  81 - QB    SER   48  10.86 +/- 2.93  10.153% *  5.8981% (0.20   0.02   0.02) =  10.856%  kept
          HE3   TRP   27 - QB    SER  117  18.86 +/- 3.69   3.532% * 16.8009% (0.57   0.02   0.02) =  10.756%  kept
          QD    PHE   60 - QB    SER   48  11.93 +/- 3.63  10.498% *  3.1728% (0.11   0.02   0.02) =   6.038%  kept
          QD    PHE   55 - QB    SER   48  12.85 +/- 1.64   4.288% *  3.7566% (0.13   0.02   0.02) =   2.920%  kept
          HN    LYS+  81 - QB    SER  117  24.58 +/- 2.00   0.602% * 22.6789% (0.76   0.02   0.02) =   2.474%  kept
          HE3   TRP   27 - QB    SER   48  17.08 +/- 4.48   2.934% *  4.3694% (0.15   0.02   0.02) =   2.324%  kept
          QE    PHE   95 - QB    SER   48  11.85 +/- 2.26   7.382% *  1.1908% (0.04   0.02   0.02) =   1.593%  kept
          HE3   TRP   27 - QB    SER   85  18.46 +/- 6.59   3.240% *  2.5923% (0.09   0.02   0.02) =   1.522%  kept
          QD    PHE   60 - QB    SER   85  18.46 +/- 3.12   1.543% *  1.8824% (0.06   0.02   0.02) =   0.526%  kept
          QD    PHE   55 - QB    SER   85  19.75 +/- 2.93   1.294% *  2.2287% (0.08   0.02   0.02) =   0.523%  kept
          QE    PHE   95 - QB    SER   85  16.24 +/- 0.73   1.927% *  0.7065% (0.02   0.02   0.02) =   0.247%  kept
    Distance limit 3.93 A violated in 18 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.99, residual support = 38.8:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.99  38.81) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.775, support = 2.5, residual support = 16.1:
          QG1   VAL  107 - HB    THR  118   3.84 +/- 3.42  56.529% * 53.4940% (0.98   1.45   3.28) =  72.658%  kept
          HG13  ILE  119 - HB    THR  118   5.74 +/- 1.11  25.121% * 44.8636% (0.22   5.36  50.58) =  27.079%  kept
          QG1   VAL   24 - HB    THR  118  18.26 +/- 5.08  13.867% *  0.6946% (0.92   0.02   0.02) =   0.231%  kept
          HD3   LYS+ 112 - HB    THR  118  11.10 +/- 1.35   1.354% *  0.6285% (0.84   0.02   0.02) =   0.020%
          QG2   VAL   24 - HB    THR  118  18.05 +/- 4.40   2.690% *  0.1318% (0.18   0.02   0.02) =   0.009%
          HB3   LEU   31 - HB    THR  118  18.04 +/- 3.24   0.439% *  0.1876% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.517, support = 1.71, residual support = 11.0:
          QE    PHE   59 - HB    THR  118   2.90 +/- 0.68  86.923% * 31.1022% (0.45   1.78  11.82) =  85.092%  kept
          HN    HIS  122 - HB    THR  118   7.09 +/- 0.36   7.788% * 51.4666% (0.92   1.43   4.95) =  12.616%  kept
          HN    PHE   59 - HB    THR  118   8.70 +/- 0.95   4.307% * 16.7566% (0.84   0.52  11.82) =   2.272%  kept
          HH2   TRP   87 - HB    THR  118  18.72 +/- 5.41   0.982% *  0.6747% (0.87   0.02   0.02) =   0.021%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.69, residual support = 38.7:
      O   HN    THR  118 - HB    THR  118   2.11 +/- 0.13  89.117% * 96.8403% (0.98  10.0   3.69  38.81) =  99.775%  kept
          HN    GLN  116 - HB    THR  118   5.34 +/- 0.51   6.418% *  2.9921% (0.80   1.0   0.76   0.12) =   0.222%  kept
          HN    PHE   60 - HB    THR  118   9.28 +/- 1.33   1.423% *  0.0968% (0.98   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HB    THR  118   7.32 +/- 0.91   2.907% *  0.0337% (0.34   1.0   0.02   0.11) =   0.001%
          HN    GLU-  15 - HB    THR  118  23.42 +/- 4.62   0.134% *  0.0371% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 26.01 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 4.35, residual support = 38.8:
      O T QG2   THR  118 - HA    THR  118   2.72 +/- 0.20 100.000% *100.0000% (0.14  10.0 10.00   4.35  38.81) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.855, support = 0.02, residual support = 48.5:
        T QG2   ILE  119 - HA    THR  118   5.83 +/- 0.26  56.335% * 82.9340% (0.87 10.00   0.02  50.58) =  95.953%  kept
          QD2   LEU   71 - HA    THR  118  14.46 +/- 4.29  19.126% *  6.2402% (0.65  1.00   0.02   0.02) =   2.451%  kept
          QD1   ILE  103 - HA    THR  118  12.87 +/- 3.15   6.948% *  7.1780% (0.75  1.00   0.02   0.02) =   1.024%  kept
          QG2   ILE  103 - HA    THR  118  10.59 +/- 3.76  15.435% *  1.5050% (0.16  1.00   0.02   0.02) =   0.477%  kept
          HG3   LYS+  74 - HA    THR  118  18.96 +/- 2.72   2.155% *  2.1428% (0.22  1.00   0.02   0.02) =   0.095%
    Distance limit 3.26 A violated in 18 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.454, support = 3.92, residual support = 32.8:
        T HG13  ILE  119 - HA    THR  118   6.59 +/- 0.80  26.346% * 76.3118% (0.20 10.00   5.46  50.58) =  62.487%  kept
          QG1   VAL  107 - HA    THR  118   5.68 +/- 3.29  52.396% * 22.9400% (0.88  1.00   1.37   3.28) =  37.358%  kept
          QG1   VAL   24 - HA    THR  118  19.36 +/- 5.55  12.527% *  0.3164% (0.83  1.00   0.02   0.02) =   0.123%  kept
          HD3   LYS+ 112 - HA    THR  118  13.25 +/- 1.25   2.155% *  0.2863% (0.75  1.00   0.02   0.02) =   0.019%
          QG2   VAL   24 - HA    THR  118  19.00 +/- 4.98   5.313% *  0.0600% (0.16  1.00   0.02   0.02) =   0.010%
          HB3   LEU   31 - HA    THR  118  18.52 +/- 3.66   1.263% *  0.0855% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.55 A violated in 1 structures by 0.64 A, kept.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.467, support = 2.69, residual support = 6.99:
        T HB3   LYS+ 121 - HA    THR  118   3.66 +/- 0.51  44.431% * 63.3206% (0.22 10.00   2.61   7.00) =  63.315%  kept
          HD2   LYS+ 121 - HA    THR  118   3.57 +/- 1.28  45.789% * 35.5738% (0.89  1.00   2.83   7.00) =  36.658%  kept
          QG2   THR   26 - HA    THR  118  19.55 +/- 4.09   1.414% *  0.2517% (0.89  1.00   0.02   0.02) =   0.008%
          QD    LYS+  66 - HA    THR  118  14.63 +/- 3.60   1.773% *  0.1844% (0.65  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  65 - HA    THR  118  17.05 +/- 1.70   0.501% *  0.2539% (0.90  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HA    THR  118  11.21 +/- 2.06   2.459% *  0.0445% (0.16  1.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    THR  118  12.84 +/- 5.20   1.655% *  0.0633% (0.22  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    THR  118  19.39 +/- 2.50   0.429% *  0.2121% (0.75  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    THR  118  14.37 +/- 4.00   1.176% *  0.0565% (0.20  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    THR  118  19.51 +/- 2.87   0.372% *  0.0392% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3288 (2.05, 3.69, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.683, support = 0.02, residual support = 47.4:
        T HB    ILE  119 - HA    THR  118   5.59 +/- 0.19  50.733% * 57.0728% (0.69 10.00   0.02  50.58) =  93.811%  kept
          HB2   GLN   30 - HA    THR  118  19.42 +/- 4.68   8.843% *  5.7073% (0.69  1.00   0.02   0.02) =   1.635%  kept
          HB    VAL  108 - HA    THR  118  12.72 +/- 3.56   6.314% *  7.0645% (0.85  1.00   0.02   0.02) =   1.445%  kept
          HB2   PRO   93 - HA    THR  118  14.57 +/- 1.82   3.578% *  7.0645% (0.85  1.00   0.02   0.02) =   0.819%  kept
          HG3   GLN   30 - HA    THR  118  20.64 +/- 4.67   7.475% *  3.3482% (0.40  1.00   0.02   0.02) =   0.811%  kept
          HG2   PRO   58 - HA    THR  118  11.39 +/- 1.90   8.634% *  1.3079% (0.16  1.00   0.02   0.02) =   0.366%  kept
          HB2   ARG+  54 - HA    THR  118  19.04 +/- 1.81   1.533% *  7.3202% (0.88  1.00   0.02   0.02) =   0.364%  kept
          HB3   GLU- 100 - HA    THR  118  18.99 +/- 4.80   1.761% *  5.1298% (0.62  1.00   0.02   0.02) =   0.293%  kept
          HB3   PRO   68 - HA    THR  118  18.06 +/- 4.48   7.675% *  1.1523% (0.14  1.00   0.02   0.02) =   0.287%  kept
          HB2   GLU-  14 - HA    THR  118  25.18 +/- 5.25   1.433% *  1.6626% (0.20  1.00   0.02   0.02) =   0.077%
          HG3   PRO   52 - HA    THR  118  19.87 +/- 2.68   1.627% *  1.3079% (0.16  1.00   0.02   0.02) =   0.069%
          HG2   MET   11 - HA    THR  118  32.57 +/- 5.45   0.396% *  1.8622% (0.22  1.00   0.02   0.02) =   0.024%
    Distance limit 3.93 A violated in 13 structures by 1.50 A, kept.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.429, support = 0.02, residual support = 47.3:
        T HG12  ILE  119 - HA    THR  118   5.77 +/- 0.46  72.287% * 44.9828% (0.40 10.00   0.02  50.58) =  93.450%  kept
          HB2   ASP-  44 - HA    THR  118  13.69 +/- 1.90   6.417% *  9.4912% (0.85  1.00   0.02   0.02) =   1.750%  kept
          HB3   PHE   72 - HA    THR  118  14.60 +/- 2.94   6.978% *  8.7032% (0.78  1.00   0.02   0.02) =   1.745%  kept
          QG    GLU-  15 - HA    THR  118  20.36 +/- 4.40   5.991% *  9.9446% (0.89  1.00   0.02   0.02) =   1.712%  kept
          QG    GLU-  14 - HA    THR  118  22.58 +/- 4.62   2.223% *  9.2620% (0.83  1.00   0.02   0.02) =   0.592%  kept
          QG    GLN   90 - HA    THR  118  22.21 +/- 2.12   1.546% *  8.0341% (0.72  1.00   0.02   0.02) =   0.357%  kept
          QB    MET   11 - HA    THR  118  28.96 +/- 5.14   1.020% *  8.0341% (0.72  1.00   0.02   0.02) =   0.235%  kept
          HB2   GLU-  29 - HA    THR  118  24.29 +/- 5.09   3.538% *  1.5481% (0.14  1.00   0.02   0.02) =   0.157%  kept
    Distance limit 3.94 A violated in 13 structures by 1.81 A, kept.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 38.8:
      O T HB    THR  118 - HA    THR  118   2.98 +/- 0.08  95.944% * 99.8099% (0.72  10.0 10.00   3.61  38.81) =  99.999%  kept
          HA    PHE   60 - HA    THR  118  11.60 +/- 1.63   2.114% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.19 +/- 5.75   0.754% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.34 +/- 3.84   0.368% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.48 +/- 3.30   0.534% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  21.77 +/- 2.71   0.287% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 8.41:
          QD    PHE   59 - HA    THR  118   6.64 +/- 0.53  71.058% * 25.6201% (0.85   0.02  11.82) =  71.117%  kept
          HD1   TRP   27 - HA    THR  118  20.63 +/- 5.13  13.886% * 25.6201% (0.85   0.02   0.02) =  13.898%  kept
          HE21  GLN   30 - HA    THR  118  19.12 +/- 4.82  12.234% * 26.1376% (0.87   0.02   0.02) =  12.492%  kept
          HH2   TRP   49 - HA    THR  118  20.98 +/- 3.00   2.822% * 22.6222% (0.75   0.02   0.02) =   2.493%  kept
    Distance limit 3.57 A violated in 20 structures by 2.98 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.459, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.94 +/- 0.37  85.762% * 43.4534% (0.47   0.02   0.02) =  91.699%  kept
          HZ2   TRP   49 - HA    THR  118  20.98 +/- 3.02   4.385% * 40.2018% (0.44   0.02   0.02) =   4.338%  kept
          HE21  GLN   17 - HA    THR  118  23.36 +/- 4.88   9.853% * 16.3448% (0.18   0.02   0.02) =   3.963%  kept
    Distance limit 3.97 A violated in 20 structures by 2.95 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 6.46, residual support = 50.6:
      O   HN    ILE  119 - HA    THR  118   3.51 +/- 0.06  96.037% * 99.6357% (0.51  10.0   6.46  50.58) =  99.996%  kept
          HN    CYS   21 - HA    THR  118  19.89 +/- 4.38   1.314% *  0.1698% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LYS+  33 - HA    THR  118  21.70 +/- 4.32   1.588% *  0.0996% (0.51   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HA    THR  118  22.28 +/- 3.12   0.459% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  21.48 +/- 3.72   0.602% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.05, residual support = 38.8:
      O   HN    THR  118 - HA    THR  118   2.83 +/- 0.05  91.822% * 96.9534% (0.51  10.0   4.06  38.81) =  99.836%  kept
          HN    GLN  116 - HA    THR  118   7.02 +/- 0.28   6.068% *  2.2230% (0.28   1.0   0.84   0.12) =   0.151%  kept
          HN    PHE   60 - HA    THR  118  11.35 +/- 1.06   1.571% *  0.6751% (0.72   1.0   0.10   0.02) =   0.012%
          HN    GLU-  15 - HA    THR  118  23.60 +/- 5.11   0.539% *  0.1485% (0.78   1.0   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 26.66 ppm):
    7 chemical-shift based assignments, quality = 0.387, support = 3.74, residual support = 39.7:
      O T HA    THR  118 - HB    THR  118   2.98 +/- 0.08  76.916% * 73.1358% (0.38  10.0 10.00   3.61  38.81) =  92.089%  kept
          HA    ILE  119 - HB    THR  118   4.90 +/- 0.28  18.259% * 26.4488% (0.53   1.0  1.00   5.16  50.58) =   7.906%  kept
          HD3   PRO   58 - HB    THR  118  10.65 +/- 1.44   2.036% *  0.0949% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - HB    THR  118  16.64 +/- 1.72   0.486% *  0.1489% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HB    THR  118  11.46 +/- 2.43   1.804% *  0.0301% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  21.81 +/- 1.94   0.220% *  0.0874% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  20.16 +/- 2.45   0.278% *  0.0542% (0.28   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 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.568, support = 4.77, residual support = 29.7:
          HG13  ILE  119 - QG2   THR  118   4.59 +/- 1.05  29.260% * 69.2462% (0.62   6.05  50.58) =  55.771%  kept
          QG1   VAL  107 - QG2   THR  118   3.91 +/- 3.21  53.727% * 29.8169% (0.51   3.16   3.28) =  44.096%  kept
          QG1   VAL   24 - QG2   THR  118  14.41 +/- 4.03  12.456% *  0.2989% (0.80   0.02   0.02) =   0.102%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.66 +/- 1.25   2.255% *  0.3217% (0.87   0.02   0.02) =   0.020%
          HB3   LEU   31 - QG2   THR  118  13.69 +/- 2.85   1.175% *  0.2421% (0.65   0.02   0.02) =   0.008%
          QB    ALA   20 - QG2   THR  118  13.89 +/- 2.44   1.128% *  0.0742% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.271, support = 1.61, residual support = 4.25:
        T HB3   ASP- 105 - QG2   THR  118   5.85 +/- 4.47  35.693% * 78.3283% (0.25 10.00   1.64   4.40) =  92.380%  kept
          QB    LYS+ 106 - QG2   THR  118   7.50 +/- 3.82  12.563% * 14.1435% (0.51  1.00   1.45   3.12) =   5.871%  kept
          HB3   PRO   58 - QG2   THR  118   9.47 +/- 1.67   7.808% *  5.5374% (0.62  1.00   0.47   0.02) =   1.429%  kept
          HB    ILE   56 - QG2   THR  118   8.71 +/- 1.63  11.015% *  0.3249% (0.85  1.00   0.02   0.02) =   0.118%  kept
          HB3   GLN   30 - QG2   THR  118  14.25 +/- 3.44  10.360% *  0.3315% (0.87  1.00   0.02   0.02) =   0.113%  kept
          HG3   PRO   68 - QG2   THR  118  12.59 +/- 3.76  10.472% *  0.0680% (0.18  1.00   0.02   0.02) =   0.024%
          HB2   MET   92 - QG2   THR  118  13.60 +/- 1.82   1.798% *  0.2979% (0.78  1.00   0.02   0.02) =   0.018%
          HB3   LYS+  38 - QG2   THR  118  15.64 +/- 2.80   1.290% *  0.3427% (0.89  1.00   0.02   0.02) =   0.015%
          QB    LYS+  33 - QG2   THR  118  15.47 +/- 2.98   2.629% *  0.1289% (0.34  1.00   0.02   0.02) =   0.011%
          HB    ILE  103 - QG2   THR  118  11.08 +/- 3.92   2.883% *  0.0765% (0.20  1.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - QG2   THR  118  14.52 +/- 1.69   2.037% *  0.0856% (0.22  1.00   0.02   0.02) =   0.006%
          QB    LYS+  81 - QG2   THR  118  18.43 +/- 1.72   0.734% *  0.1807% (0.47  1.00   0.02   0.02) =   0.004%
          HB3   GLN   90 - QG2   THR  118  18.66 +/- 2.01   0.716% *  0.1540% (0.40  1.00   0.02   0.02) =   0.004%
    Distance limit 3.55 A violated in 4 structures by 0.90 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.607, support = 3.04, residual support = 19.9:
        T HB2   ASP- 105 - QG2   THR  118   5.34 +/- 4.65  44.113% * 63.6111% (0.51 10.00   1.64   4.40) =  66.494%  kept
          HG12  ILE  119 - QG2   THR  118   3.80 +/- 0.62  39.517% * 35.7533% (0.80  1.00   5.82  50.58) =  33.481%  kept
          HB3   PHE   72 - QG2   THR  118   9.94 +/- 2.51   5.486% *  0.0667% (0.44  1.00   0.02   0.02) =   0.009%
          HB2   ASP-  44 - QG2   THR  118   9.04 +/- 1.73   5.503% *  0.0514% (0.34  1.00   0.02   0.02) =   0.007%
          HG3   MET   92 - QG2   THR  118  13.78 +/- 1.74   1.030% *  0.1265% (0.83  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - QG2   THR  118  18.44 +/- 3.71   0.747% *  0.1343% (0.88  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QG2   THR  118  17.26 +/- 3.41   0.668% *  0.0563% (0.37  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   THR  118  16.97 +/- 1.85   0.483% *  0.0776% (0.51  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   THR  118  15.74 +/- 3.21   0.958% *  0.0381% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QG2   THR  118  15.82 +/- 1.69   0.690% *  0.0467% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  14.56 +/- 3.58   0.805% *  0.0381% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.398, support = 4.85, residual support = 44.2:
      O T HA    THR  118 - QG2   THR  118   2.72 +/- 0.20  59.628% * 41.5367% (0.34  10.0 10.00   4.35  38.81) =  54.389%  kept
        T HA    ILE  119 - QG2   THR  118   3.35 +/- 0.32  35.668% * 58.2274% (0.47   1.0 10.00   5.44  50.58) =  45.607%  kept
          HD3   PRO   58 - QG2   THR  118   9.26 +/- 1.41   2.380% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - QG2   THR  118  13.11 +/- 1.52   0.621% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   THR  118  10.92 +/- 2.23   1.172% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.55 +/- 1.75   0.213% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  16.78 +/- 2.46   0.317% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.99, residual support = 38.8:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  94.795% * 99.8099% (0.72  10.0 10.00   3.99  38.81) =  99.999%  kept
          HA    PHE   60 - QG2   THR  118   7.52 +/- 1.59   3.762% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QG2   THR  118  13.93 +/- 2.54   0.492% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.43 +/- 2.97   0.308% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  16.52 +/- 2.43   0.260% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  18.79 +/- 4.33   0.383% *  0.0311% (0.22   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 3301 (6.83, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 1.37, residual support = 4.94:
          HD2   HIS  122 - QG2   THR  118   3.44 +/- 0.39  85.330% * 97.4737% (0.90   1.38   4.95) =  99.824%  kept
          HE22  GLN  116 - QG2   THR  118   8.46 +/- 1.12   7.685% *  1.4128% (0.89   0.02   0.12) =   0.130%  kept
          QD    PHE   45 - QG2   THR  118   9.39 +/- 1.91   5.879% *  0.5314% (0.34   0.02   0.02) =   0.037%
          HE22  GLN   17 - QG2   THR  118  18.24 +/- 3.48   1.106% *  0.5821% (0.37   0.02   0.02) =   0.008%
    Distance limit 3.11 A violated in 0 structures by 0.38 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.21, residual support = 11.8:
          QD    PHE   59 - QG2   THR  118   4.03 +/- 0.67  76.717% * 98.6412% (0.85   4.22  11.82) =  99.855%  kept
          HE21  GLN   30 - QG2   THR  118  13.97 +/- 3.88  15.916% *  0.4775% (0.87   0.02   0.02) =   0.100%  kept
          HD1   TRP   27 - QG2   THR  118  15.16 +/- 3.73   5.649% *  0.4680% (0.85   0.02   0.02) =   0.035%
          HH2   TRP   49 - QG2   THR  118  15.94 +/- 2.28   1.718% *  0.4133% (0.75   0.02   0.02) =   0.009%
    Distance limit 3.54 A violated in 1 structures by 0.54 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.44, residual support = 50.6:
        T QG2   THR  118 - HA    ILE  119   3.35 +/- 0.32 100.000% *100.0000% (0.57 10.00   5.44  50.58) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.506, support = 4.44, residual support = 35.1:
          QB    ALA  120 - HA    ILE  119   4.97 +/- 0.05  35.711% * 50.8884% (0.45   5.22  52.74) =  60.893%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.74 +/- 0.60  25.057% * 44.4578% (0.61   3.37   7.60) =  37.328%  kept
          HG    LEU  115 - HA    ILE  119   7.65 +/- 1.56  14.703% *  3.1959% (0.45   0.33   8.05) =   1.575%  kept
          HB3   LEU   40 - HA    ILE  119  13.33 +/- 4.31   7.666% *  0.2987% (0.69   0.02   0.02) =   0.077%
          QG2   THR   26 - HA    ILE  119  18.04 +/- 4.07   5.744% *  0.3323% (0.76   0.02   0.02) =   0.064%
          QD    LYS+  66 - HA    ILE  119  11.45 +/- 3.76   8.166% *  0.1084% (0.25   0.02   0.02) =   0.030%
          HG2   LYS+  65 - HA    ILE  119  13.85 +/- 1.75   1.881% *  0.2987% (0.69   0.02   0.02) =   0.019%
          HB2   LYS+  74 - HA    ILE  119  17.19 +/- 2.32   1.071% *  0.4197% (0.97   0.02   0.02) =   0.015%
    Distance limit 3.95 A violated in 0 structures by 0.61 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.34, residual support = 22.9:
          QD    PHE   59 - HA    ILE  119   4.08 +/- 0.67  80.841% * 97.5872% (0.95   2.35  22.93) =  99.797%  kept
          HE21  GLN   30 - HA    ILE  119  17.32 +/- 4.92  15.485% *  0.8479% (0.97   0.02   0.02) =   0.166%  kept
          HD1   TRP   27 - HA    ILE  119  19.66 +/- 4.66   2.044% *  0.8311% (0.95   0.02   0.02) =   0.021%
          HH2   TRP   49 - HA    ILE  119  19.60 +/- 3.53   1.630% *  0.7338% (0.84   0.02   0.02) =   0.015%
    Distance limit 3.35 A violated in 2 structures by 0.69 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.57, residual support = 261.5:
      O   HN    ILE  119 - HA    ILE  119   2.80 +/- 0.07  96.881% * 99.7485% (0.98  10.0   8.57 261.55) =  99.998%  kept
          HN    CYS   21 - HA    ILE  119  17.69 +/- 4.32   2.085% *  0.0850% (0.84   1.0   0.02   0.02) =   0.002%
          HN    SER   37 - HA    ILE  119  20.72 +/- 3.48   0.309% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  22.75 +/- 3.08   0.228% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  20.90 +/- 3.74   0.498% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.295, support = 5.61, residual support = 42.9:
      O   HN    ALA  120 - HA    ILE  119   3.59 +/- 0.04  70.046% * 59.0318% (0.18  10.0   6.25  52.74) =  80.926%  kept
          HN    LEU  123 - HA    ILE  119   5.16 +/- 0.39  24.802% * 38.9979% (0.80   1.0   2.89   1.04) =  18.929%  kept
          HN    ALA  124 - HA    ILE  119   9.14 +/- 0.51   4.373% *  1.6333% (0.98   1.0   0.10   0.02) =   0.140%  kept
          HE21  GLN   17 - HA    ILE  119  20.54 +/- 4.03   0.780% *  0.3371% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.10 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 = 2.44, residual support = 15.7:
          HA    GLN  116 - HB    ILE  119   3.00 +/- 0.95  91.468% * 96.4481% (0.84   2.44  15.67) =  99.947%  kept
          HA    VAL   70 - HB    ILE  119  14.91 +/- 3.26   3.446% *  0.7895% (0.84   0.02   0.02) =   0.031%
          HA    VAL   18 - HB    ILE  119  17.38 +/- 3.67   1.447% *  0.4304% (0.46   0.02   0.02) =   0.007%
          HA    GLU-  29 - HB    ILE  119  24.82 +/- 4.28   0.846% *  0.4632% (0.49   0.02   0.02) =   0.004%
          HA    LYS+  33 - HB    ILE  119  24.48 +/- 3.28   0.504% *  0.5941% (0.63   0.02   0.02) =   0.003%
          HB2   SER   37 - HB    ILE  119  21.77 +/- 2.73   0.521% *  0.5292% (0.56   0.02   0.02) =   0.003%
          HA1   GLY   16 - HB    ILE  119  19.52 +/- 4.52   0.969% *  0.2525% (0.27   0.02   0.02) =   0.003%
          HA    SER   48 - HB    ILE  119  20.74 +/- 3.27   0.607% *  0.1262% (0.13   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    ILE  119  27.92 +/- 3.19   0.192% *  0.3668% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.515, support = 4.98, residual support = 51.1:
          HN    ALA  120 - HB    ILE  119   2.98 +/- 0.31  60.065% * 84.1481% (0.53   5.14  52.74) =  96.261%  kept
          HE21  GLN  116 - HB    ILE  119   4.88 +/- 1.68  27.778% *  4.1313% (0.22   0.61  15.67) =   2.186%  kept
          HN    LEU  123 - HB    ILE  119   6.32 +/- 0.63   7.424% * 10.8106% (0.27   1.30   1.04) =   1.529%  kept
          HN    ALA  124 - HB    ILE  119   9.85 +/- 0.84   1.987% *  0.4323% (0.69   0.02   0.02) =   0.016%
          HN    ALA   57 - HB    ILE  119  10.06 +/- 1.34   2.191% *  0.1068% (0.17   0.02   0.02) =   0.004%
          HE21  GLN   17 - HB    ILE  119  22.18 +/- 4.41   0.555% *  0.3709% (0.60   0.02   0.02) =   0.004%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.57, residual support = 261.6:
      O   HN    ILE  119 - HB    ILE  119   2.24 +/- 0.23  98.270% * 99.7485% (0.85  10.0   7.57 261.55) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  19.24 +/- 4.65   1.219% *  0.0850% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    ILE  119  22.90 +/- 3.12   0.181% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  22.92 +/- 2.77   0.125% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  23.07 +/- 3.42   0.205% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.56, support = 3.79, residual support = 51.9:
          HA    ALA  120 - QG2   ILE  119   3.31 +/- 0.44  73.459% * 86.0408% (0.57   3.83  52.74) =  98.251%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.41 +/- 0.29  11.133% *  9.4811% (0.20   1.21   7.60) =   1.641%  kept
          HD2   PRO   52 - QG2   ILE  119  15.11 +/- 2.74   3.454% *  0.6058% (0.76   0.02   0.02) =   0.033%
          HA    LYS+  65 - QG2   ILE  119  11.77 +/- 1.76   2.268% *  0.7498% (0.95   0.02   0.02) =   0.026%
          HA2   GLY   16 - QG2   ILE  119  16.12 +/- 3.85   1.321% *  0.7109% (0.90   0.02   0.02) =   0.015%
          HB    THR   94 - QG2   ILE  119  13.81 +/- 1.91   2.539% *  0.1976% (0.25   0.02   0.02) =   0.008%
          HA    GLN   32 - QG2   ILE  119  19.58 +/- 3.07   0.832% *  0.4488% (0.57   0.02   0.02) =   0.006%
          QB    SER   48 - QG2   ILE  119  16.99 +/- 3.22   1.251% *  0.2704% (0.34   0.02   0.02) =   0.005%
          QB    SER   85 - QG2   ILE  119  21.89 +/- 2.32   0.431% *  0.7109% (0.90   0.02   0.02) =   0.005%
          HA    SER   48 - QG2   ILE  119  17.77 +/- 3.37   1.156% *  0.2446% (0.31   0.02   0.02) =   0.004%
          HA    ALA   88 - QG2   ILE  119  22.38 +/- 2.80   0.512% *  0.4170% (0.53   0.02   0.02) =   0.003%
          HA2   GLY   51 - QG2   ILE  119  16.02 +/- 2.47   1.644% *  0.1223% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.65 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.567, support = 5.46, residual support = 45.9:
          HN    ALA  120 - QG2   ILE  119   2.97 +/- 0.70  47.361% * 73.4574% (0.61   5.75  52.74) =  86.663%  kept
          HN    LEU  123 - QG2   ILE  119   4.38 +/- 0.56  21.241% * 24.2656% (0.31   3.73   1.04) =  12.840%  kept
          HE21  GLN  116 - QG2   ILE  119   4.76 +/- 1.56  22.005% *  0.5804% (0.25   0.11  15.67) =   0.318%  kept
          HN    ALA  124 - QG2   ILE  119   6.87 +/- 0.69   5.043% *  1.3235% (0.80   0.08   0.02) =   0.166%  kept
          HN    ALA   57 - QG2   ILE  119   8.61 +/- 1.61   3.638% *  0.0834% (0.20   0.02   0.02) =   0.008%
          HE21  GLN   17 - QG2   ILE  119  17.72 +/- 3.61   0.712% *  0.2896% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.84, residual support = 261.5:
          HN    ILE  119 - QG2   ILE  119   3.48 +/- 0.28  85.278% * 99.2715% (0.80   7.84 261.55) =  99.977%  kept
          HN    CYS   21 - QG2   ILE  119  15.77 +/- 4.29  13.110% *  0.1079% (0.34   0.02   0.02) =   0.017%
          HN    ILE   89 - QG2   ILE  119  20.31 +/- 2.77   0.875% *  0.3052% (0.97   0.02   0.02) =   0.003%
          HN    SER   37 - QG2   ILE  119  18.73 +/- 2.76   0.738% *  0.3155% (1.00   0.02   0.02) =   0.003%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 1.72, residual support = 7.23:
          QD2   LEU  115 - HG12  ILE  119   4.18 +/- 1.60  48.794% * 83.8895% (0.90   1.87   8.05) =  89.725%  kept
          QD1   LEU   63 - HG12  ILE  119   5.88 +/- 2.61  35.933% * 12.7341% (0.57   0.45   0.11) =  10.030%  kept
          QD1   LEU  104 - HG12  ILE  119  11.94 +/- 3.65   6.056% *  1.0020% (1.00   0.02   0.02) =   0.133%  kept
          QD1   LEU   73 - HG12  ILE  119  13.34 +/- 3.78   7.090% *  0.5673% (0.57   0.02   0.02) =   0.088%
          QG1   VAL   83 - HG12  ILE  119  17.96 +/- 3.16   0.661% *  0.7276% (0.73   0.02   0.02) =   0.011%
          QD2   LEU   80 - HG12  ILE  119  18.97 +/- 3.03   0.515% *  0.9250% (0.92   0.02   0.02) =   0.010%
          QG2   ILE   89 - HG12  ILE  119  15.67 +/- 2.58   0.951% *  0.1546% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.861, support = 2.04, residual support = 7.18:
          QD2   LEU  115 - HG13  ILE  119   4.73 +/- 1.80  44.988% * 84.6964% (0.90   2.23   8.05) =  89.108%  kept
          QD1   LEU   63 - HG13  ILE  119   6.03 +/- 2.63  36.437% * 12.4503% (0.57   0.52   0.11) =  10.609%  kept
          QD1   LEU  104 - HG13  ILE  119  12.34 +/- 3.97   8.923% *  0.8467% (1.00   0.02   0.02) =   0.177%  kept
          QD1   LEU   73 - HG13  ILE  119  13.54 +/- 3.90   7.120% *  0.4794% (0.57   0.02   0.02) =   0.080%
          QG1   VAL   83 - HG13  ILE  119  18.51 +/- 2.97   0.819% *  0.6149% (0.73   0.02   0.02) =   0.012%
          QD2   LEU   80 - HG13  ILE  119  19.37 +/- 3.01   0.593% *  0.7816% (0.92   0.02   0.02) =   0.011%
          QG2   ILE   89 - HG13  ILE  119  16.30 +/- 2.42   1.120% *  0.1306% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.01 A violated in 1 structures by 0.30 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   9.36 +/- 2.76 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.71 A violated in 19 structures by 5.72 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.6, residual support = 22.9:
          QD    PHE   59 - HG13  ILE  119   2.89 +/- 0.82  93.416% * 98.4143% (0.95   3.60  22.93) =  99.961%  kept
          HE21  GLN   30 - HG13  ILE  119  17.53 +/- 4.88   5.173% *  0.5572% (0.97   0.02   0.02) =   0.031%
          HD1   TRP   27 - HG13  ILE  119  19.93 +/- 4.61   0.850% *  0.5462% (0.95   0.02   0.02) =   0.005%
          HH2   TRP   49 - HG13  ILE  119  18.16 +/- 3.17   0.561% *  0.4823% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.77 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.87, residual support = 261.5:
          HN    ILE  119 - HG13  ILE  119   3.63 +/- 0.73  97.254% * 99.2746% (0.80   7.88 261.55) =  99.994%  kept
          HN    SER   37 - HG13  ILE  119  21.59 +/- 3.12   0.658% *  0.3142% (1.00   0.02   0.02) =   0.002%
          HN    ILE   89 - HG13  ILE  119  22.23 +/- 2.48   0.546% *  0.3039% (0.97   0.02   0.02) =   0.002%
          HN    CYS   21 - HG13  ILE  119  17.55 +/- 4.02   1.543% *  0.1074% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.20 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.04, residual support = 22.9:
          QD    PHE   59 - HG12  ILE  119   2.68 +/- 0.59  81.158% * 99.0434% (0.84   4.04  22.93) =  99.932%  kept
          HE21  GLN   30 - HG12  ILE  119  17.41 +/- 5.01  17.956% *  0.2855% (0.49   0.02   0.02) =   0.064%
          HD1   TRP   27 - HG12  ILE  119  19.47 +/- 4.58   0.467% *  0.4900% (0.84   0.02   0.02) =   0.003%
          HH2   TRP   49 - HG12  ILE  119  17.92 +/- 2.96   0.419% *  0.1811% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.9, residual support = 261.5:
          HN    ILE  119 - HG12  ILE  119   2.86 +/- 0.62  96.856% * 99.2770% (0.80   7.90 261.55) =  99.995%  kept
          HN    CYS   21 - HG12  ILE  119  17.45 +/- 4.10   2.387% *  0.1070% (0.34   0.02   0.02) =   0.003%
          HN    SER   37 - HG12  ILE  119  21.46 +/- 2.84   0.406% *  0.3131% (1.00   0.02   0.02) =   0.001%
          HN    ILE   89 - HG12  ILE  119  21.45 +/- 2.81   0.351% *  0.3028% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   8.33 +/- 2.15 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.16 A violated in 19 structures by 5.16 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.309, support = 3.09, residual support = 5.19:
          QD2   LEU  115 - QD1   ILE  119   3.42 +/- 1.61  54.820% * 50.8698% (0.40  1.00   4.29   8.05) =  64.026%  kept
        T QD1   LEU   63 - QD1   ILE  119   4.98 +/- 1.89  35.918% * 43.1149% (0.15 10.00   0.97   0.11) =  35.555%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.05 +/- 3.05   3.551% *  3.9638% (0.66 10.00   0.02   0.02) =   0.323%  kept
        T QD1   LEU   73 - QD1   ILE  119  11.78 +/- 3.34   3.896% *  0.8904% (0.15 10.00   0.02   0.02) =   0.080%
          QG1   VAL   83 - QD1   ILE  119  15.56 +/- 2.44   0.534% *  0.5758% (0.96  1.00   0.02   0.02) =   0.007%
          QG2   ILE   89 - QD1   ILE  119  13.52 +/- 2.23   0.869% *  0.3267% (0.55  1.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - QD1   ILE  119  16.25 +/- 2.42   0.412% *  0.2587% (0.43  1.00   0.02   0.02) =   0.002%
    Distance limit 2.64 A violated in 1 structures by 0.37 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.91, residual support = 15.7:
        T HA    GLN  116 - QD1   ILE  119   2.96 +/- 0.73  86.827% * 99.4587% (0.51 10.00   3.91  15.67) =  99.987%  kept
          HA    VAL   70 - QD1   ILE  119  11.57 +/- 2.61   6.308% *  0.0995% (0.51  1.00   0.02   0.02) =   0.007%
          HA1   GLY   16 - QD1   ILE  119  15.49 +/- 3.60   1.426% *  0.1514% (0.77  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QD1   ILE  119  17.81 +/- 2.28   0.772% *  0.1886% (0.96  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QD1   ILE  119  13.52 +/- 2.91   2.548% *  0.0256% (0.13  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QD1   ILE  119  20.11 +/- 2.94   0.831% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  20.24 +/- 3.59   1.288% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.816, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   9.56 +/- 1.97  49.014% * 81.6578% (0.96 10.00   0.02   0.02) =  81.059%  kept
        T QD    PHE   72 - QD1   ILE  119   9.29 +/- 2.19  50.986% * 18.3422% (0.21 10.00   0.02   0.02) =  18.941%  kept
    Distance limit 3.40 A violated in 19 structures by 4.64 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.73 +/- 1.55  55.531% * 23.3518% (0.47   0.02   0.02) =  46.141%  kept
          QE    PHE   72 - QD1   ILE  119   8.70 +/- 1.68  32.560% * 29.0981% (0.59   0.02   0.02) =  33.711%  kept
          HN    ALA   47 - QD1   ILE  119  12.98 +/- 2.08  11.909% * 47.5501% (0.96   0.02   0.02) =  20.149%  kept
    Distance limit 3.45 A violated in 19 structures by 2.63 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.859, support = 1.6, residual support = 16.1:
          HN    HIS  122 - QD1   ILE  119   5.99 +/- 0.95  28.029% * 98.2581% (0.87   1.62  16.05) =  98.774%  kept
          HN    PHE   59 - QD1   ILE  119   3.75 +/- 0.94  70.788% *  0.4617% (0.33   0.02  22.93) =   1.172%  kept
          HH2   TRP   87 - QD1   ILE  119  18.35 +/- 3.77   1.183% *  1.2803% (0.91   0.02   0.02) =   0.054%
    Distance limit 3.60 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 7.01, residual support = 261.5:
          HN    ILE  119 - QD1   ILE  119   3.68 +/- 0.31  92.824% * 99.2863% (0.95   7.02 261.55) =  99.984%  kept
          HN    CYS   21 - QD1   ILE  119  15.07 +/- 3.65   4.010% *  0.2412% (0.81   0.02   0.02) =   0.010%
          HN    ILE   89 - QD1   ILE  119  18.53 +/- 2.21   1.101% *  0.2412% (0.81   0.02   0.02) =   0.003%
          HN    SER   37 - QD1   ILE  119  18.87 +/- 2.48   0.902% *  0.1868% (0.62   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE  119  18.87 +/- 3.05   1.163% *  0.0446% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.17, residual support = 29.7:
        T QD1   LEU  123 - HA    ALA  120   2.35 +/- 0.55  89.066% * 99.1996% (0.45 10.00   5.17  29.74) =  99.982%  kept
          QG1   VAL   18 - HA    ALA  120  15.61 +/- 3.18   4.698% *  0.1772% (0.80  1.00   0.02   0.02) =   0.009%
          QG1   VAL   70 - HA    ALA  120  11.60 +/- 3.97   1.803% *  0.1520% (0.69  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HA    ALA  120  12.64 +/- 3.71   1.074% *  0.2169% (0.98  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HA    ALA  120  15.66 +/- 3.95   1.201% *  0.0992% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  14.55 +/- 5.46   1.677% *  0.0388% (0.18  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    ALA  120  15.97 +/- 1.69   0.481% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.557, support = 4.96, residual support = 22.6:
          HN    LEU  123 - HA    ALA  120   2.71 +/- 0.13  48.579% * 47.2776% (0.80   1.0   6.01  29.74) =  58.255%  kept
      O   HN    ALA  120 - HA    ALA  120   2.78 +/- 0.06  45.322% * 34.4186% (0.18  10.0   3.58  13.32) =  39.566%  kept
          HN    ALA  124 - HA    ALA  120   5.92 +/- 0.24   4.731% * 18.1073% (0.98   1.0   1.88   0.02) =   2.173%  kept
          HE21  GLN   17 - HA    ALA  120  23.09 +/- 5.09   1.368% *  0.1965% (1.00   1.0   0.02   0.02) =   0.007%
    Distance limit 3.28 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 = 6.42, residual support = 313.0:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  93.017% * 99.7700% (0.45  10.0   6.42 313.01) =  99.999%  kept
          HZ2   TRP   49 - HA    LYS+  65  18.44 +/- 5.94   6.290% *  0.0132% (0.06   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HA    LYS+ 121  24.59 +/- 3.86   0.238% *  0.2105% (0.95   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 121 - HA    LYS+  65  16.87 +/- 1.88   0.455% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.914, support = 3.74, residual support = 7.29:
          HA    THR  118 - HB2   LYS+ 121   3.15 +/- 1.36  64.536% * 35.8004% (0.87   2.91   7.00) =  51.783%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.60 +/- 0.28  33.885% * 63.4811% (0.97   4.64   7.60) =  48.211%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.89 +/- 2.51   0.706% *  0.1607% (0.57   0.02   0.02) =   0.003%
          HB2   TRP   49 - HB2   LYS+ 121  25.64 +/- 2.82   0.228% *  0.2620% (0.92   0.02   0.02) =   0.001%
          HA    ALA   84 - HB2   LYS+ 121  23.79 +/- 3.18   0.257% *  0.2169% (0.76   0.02   0.02) =   0.001%
          HA    VAL   75 - HB2   LYS+ 121  19.21 +/- 1.86   0.389% *  0.0789% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.732, support = 2.77, residual support = 7.05:
        T HA    THR  118 - HB3   LYS+ 121   3.66 +/- 0.51  70.739% * 79.8089% (0.72 10.00   2.61   7.00) =  91.239%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.54 +/- 0.59  27.157% * 19.9581% (0.81  1.00   4.50   7.60) =   8.759%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.09 +/- 2.36   0.974% *  0.0521% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  26.33 +/- 2.82   0.287% *  0.0849% (0.77  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  24.05 +/- 3.27   0.299% *  0.0703% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  19.58 +/- 2.17   0.544% *  0.0256% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.42, residual support = 313.0:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.82 +/- 0.50  99.687% * 99.9582% (0.75  10.0   6.42 313.01) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  23.03 +/- 3.45   0.313% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.49, residual support = 54.6:
          HN    HIS  122 - HB3   LYS+ 121   3.86 +/- 0.36  95.286% * 99.5598% (0.75   6.49  54.62) =  99.992%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.39 +/- 1.35   3.539% *  0.1167% (0.28   0.02   0.02) =   0.004%
          HH2   TRP   87 - HB3   LYS+ 121  21.50 +/- 7.14   1.175% *  0.3235% (0.79   0.02   0.02) =   0.004%
    Distance limit 3.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.69, residual support = 54.6:
          HN    HIS  122 - HB2   LYS+ 121   3.33 +/- 0.18  88.884% * 99.2666% (0.41   7.70  54.62) =  99.972%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.55 +/- 0.60   8.217% *  0.2140% (0.34   0.02   0.02) =   0.020%
          HD1   TRP   27 - HB2   LYS+ 121  20.25 +/- 5.44   2.157% *  0.2140% (0.34   0.02   0.02) =   0.005%
          HH2   TRP   87 - HB2   LYS+ 121  21.44 +/- 6.89   0.742% *  0.3054% (0.49   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.93, residual support = 313.0:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.34 +/- 0.37  99.821% * 99.9061% (0.92  10.0   6.93 313.01) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.43 +/- 3.31   0.179% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.434, support = 1.68, residual support = 11.1:
          QG2   ILE  119 - HB2   HIS  122   5.01 +/- 1.27  35.957% * 59.1555% (0.53   1.75  16.05) =  65.694%  kept
          QD1   LEU   40 - HB2   HIS  122   8.13 +/- 5.41  31.287% * 25.3213% (0.20   1.99   2.43) =  24.468%  kept
          QD2   LEU   67 - HB2   HIS  122  10.03 +/- 5.78  26.935% * 11.5950% (0.41   0.44   0.02) =   9.646%  kept
          QD1   ILE  103 - HB2   HIS  122  14.71 +/- 3.67   1.326% *  3.6074% (0.34   0.16   0.02) =   0.148%  kept
          QD2   LEU   71 - HB2   HIS  122  11.46 +/- 4.21   4.495% *  0.3208% (0.25   0.02   0.02) =   0.045%
    Distance limit 3.62 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.544, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  10.42 +/- 6.02  28.034% * 20.0916% (0.69   0.02   0.02) =  48.052%  kept
          QD2   LEU  115 - HB2   HIS  122   9.56 +/- 1.61  22.068% * 12.0248% (0.41   0.02   0.02) =  22.639%  kept
          QD1   LEU   63 - HB2   HIS  122   8.02 +/- 2.49  35.871% *  4.5130% (0.15   0.02   0.02) =  13.811%  kept
          QG2   ILE   89 - HB2   HIS  122  19.11 +/- 2.96   3.951% * 16.5597% (0.57   0.02   0.02) =   5.582%  kept
          QG1   VAL   83 - HB2   HIS  122  19.92 +/- 4.19   2.185% * 29.1845% (1.00   0.02   0.02) =   5.441%  kept
          QD1   LEU   73 - HB2   HIS  122  14.09 +/- 2.65   5.934% *  4.5130% (0.15   0.02   0.02) =   2.285%  kept
          QD2   LEU   80 - HB2   HIS  122  20.43 +/- 3.86   1.957% * 13.1134% (0.45   0.02   0.02) =   2.189%  kept
    Distance limit 4.19 A violated in 13 structures by 1.82 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 75.8:
      O   HD2   HIS  122 - HB2   HIS  122   3.67 +/- 0.47  92.348% * 99.8219% (1.00  10.0   3.88  75.84) =  99.994%  kept
          HE22  GLN  116 - HB2   HIS  122  11.50 +/- 2.64   4.815% *  0.0996% (1.00   1.0   0.02   0.02) =   0.005%
          QD    PHE   45 - HB2   HIS  122  15.40 +/- 2.49   1.663% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   HIS  122  19.52 +/- 3.74   1.174% *  0.0410% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 4.33 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 = 5.98, residual support = 75.8:
      O   HN    HIS  122 - HB2   HIS  122   3.31 +/- 0.56  83.310% * 99.7165% (0.41  10.0   5.98  75.84) =  99.983%  kept
          HD1   TRP   27 - HB2   HIS  122  19.15 +/- 5.24   8.303% *  0.0827% (0.34   1.0   0.02   0.02) =   0.008%
          QD    PHE   59 - HB2   HIS  122   7.64 +/- 1.21   7.731% *  0.0827% (0.34   1.0   0.02   0.02) =   0.008%
          HH2   TRP   87 - HB2   HIS  122  23.34 +/- 6.78   0.656% *  0.1181% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.32, residual support = 75.8:
      O   HD2   HIS  122 - HB3   HIS  122   3.18 +/- 0.46  93.459% * 99.8219% (1.00  10.0   4.32  75.84) =  99.994%  kept
          HE22  GLN  116 - HB3   HIS  122  11.26 +/- 2.50   4.759% *  0.0996% (1.00   1.0   0.02   0.02) =   0.005%
          QD    PHE   45 - HB3   HIS  122  15.03 +/- 2.69   1.121% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.85 +/- 3.72   0.661% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.65, residual support = 75.8:
      O   HN    HIS  122 - HB3   HIS  122   3.04 +/- 0.40  94.482% * 99.8567% (0.90  10.0   6.65  75.84) =  99.997%  kept
          HN    PHE   59 - HB3   HIS  122  10.61 +/- 2.20   5.048% *  0.0380% (0.34   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB3   HIS  122  23.00 +/- 7.02   0.470% *  0.1053% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 0.367, support = 1.09, residual support = 8.75:
          QG2   ILE  119 - HB3   HIS  122   4.92 +/- 1.21  34.346% * 43.4210% (0.53  1.00   1.74  16.05) =  47.505%  kept
        T QD1   LEU   40 - HB3   HIS  122   8.22 +/- 5.62  30.102% * 48.2206% (0.20 10.00   0.51   2.43) =  46.238%  kept
          QD2   LEU   67 - HB3   HIS  122  10.19 +/- 5.85  24.850% *  7.7971% (0.41  1.00   0.40   0.02) =   6.172%  kept
          QD2   LEU   71 - HB3   HIS  122  11.73 +/- 4.20   9.222% *  0.2370% (0.25  1.00   0.02   0.02) =   0.070%
          QD1   ILE  103 - HB3   HIS  122  14.32 +/- 4.11   1.480% *  0.3243% (0.34  1.00   0.02   0.02) =   0.015%
    Distance limit 3.69 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.674, support = 3.59, residual support = 28.9:
          HA    ALA  120 - HG    LEU  123   3.22 +/- 0.99  73.419% * 78.5851% (0.68  1.00   3.66  29.74) =  97.068%  kept
          HA    LYS+ 121 - HG    LEU  123   7.11 +/- 0.55   9.030% * 18.0804% (0.47  1.00   1.22   2.43) =   2.747%  kept
        T HD2   PRO   52 - HG    LEU  123  21.53 +/- 4.93   7.799% *  1.0796% (0.17 10.00   0.02   0.02) =   0.142%  kept
          HA    LYS+  65 - HG    LEU  123  16.24 +/- 3.39   1.617% *  0.3616% (0.57  1.00   0.02   0.02) =   0.010%
          QB    SER  117 - HG    LEU  123   9.48 +/- 1.16   3.721% *  0.1477% (0.23  1.00   0.02   0.02) =   0.009%
          HA2   GLY   51 - HG    LEU  123  22.65 +/- 4.57   1.635% *  0.2626% (0.42  1.00   0.02   0.02) =   0.007%
          HB    THR   94 - HG    LEU  123  19.84 +/- 2.66   0.920% *  0.3309% (0.52  1.00   0.02   0.02) =   0.005%
          QB    SER   48 - HG    LEU  123  23.26 +/- 4.31   0.792% *  0.3756% (0.60  1.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - HG    LEU  123  19.22 +/- 4.89   0.744% *  0.3883% (0.62  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - HG    LEU  123  28.93 +/- 3.40   0.324% *  0.3883% (0.62  1.00   0.02   0.02) =   0.002%
    Distance limit 4.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.81, residual support = 203.9:
          HN    LEU  123 - HG    LEU  123   3.59 +/- 0.35  92.542% * 99.5540% (0.36   5.81 203.97) =  99.979%  kept
          HZ2   TRP   49 - HG    LEU  123  23.60 +/- 5.40   5.091% *  0.3171% (0.33   0.02   0.02) =   0.018%
          HE21  GLN   17 - HG    LEU  123  21.97 +/- 4.88   2.367% *  0.1289% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.85 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 = 28.9:
          HA    ALA  120 - HB3   LEU  123   3.35 +/- 0.54  79.726% * 78.4292% (0.99   3.14  29.74) =  96.734%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.60 +/- 0.58  11.094% * 18.8161% (0.69   1.09   2.43) =   3.229%  kept
          QB    SER  117 - HB3   LEU  123   9.89 +/- 0.84   3.290% *  0.1722% (0.34   0.02   0.02) =   0.009%
          HA2   GLY   16 - HB3   LEU  123  20.39 +/- 4.94   0.959% *  0.4527% (0.90   0.02   0.02) =   0.007%
          HA    LYS+  65 - HB3   LEU  123  17.92 +/- 3.32   0.856% *  0.4216% (0.84   0.02   0.02) =   0.006%
          HD2   PRO   52 - HB3   LEU  123  23.10 +/- 4.74   2.131% *  0.1259% (0.25   0.02   0.02) =   0.004%
          HB    THR   94 - HB3   LEU  123  21.03 +/- 2.60   0.602% *  0.3857% (0.76   0.02   0.02) =   0.004%
          HA2   GLY   51 - HB3   LEU  123  24.22 +/- 4.47   0.672% *  0.3062% (0.61   0.02   0.02) =   0.003%
          QB    SER   48 - HB3   LEU  123  24.74 +/- 4.08   0.440% *  0.4378% (0.87   0.02   0.02) =   0.003%
          QB    SER   85 - HB3   LEU  123  29.92 +/- 3.91   0.230% *  0.4527% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.921, support = 5.63, residual support = 176.7:
      O   HN    LEU  123 - HB3   LEU  123   3.36 +/- 0.42  43.425% * 88.3750% (0.98  10.0   5.81 203.97) =  85.778%  kept
          HN    ALA  124 - HB3   LEU  123   3.20 +/- 0.42  55.019% * 11.5631% (0.57   1.0   4.53  11.95) =  14.220%  kept
          HE21  GLN   17 - HB3   LEU  123  23.32 +/- 4.99   1.556% *  0.0619% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.26 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 = 0.953, support = 2.95, residual support = 26.3:
          HA    ALA  120 - HB2   LEU  123   1.92 +/- 0.19  93.190% * 24.9228% (0.99  1.00   3.18  29.74) =  87.442%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.41 +/- 0.39   4.563% * 73.0228% (0.69 10.00   1.34   2.43) =  12.544%  kept
        T HA    LYS+  65 - HB2   LEU  123  17.46 +/- 3.12   0.164% *  1.3225% (0.84 10.00   0.02   0.02) =   0.008%
          QB    SER  117 - HB2   LEU  123   8.73 +/- 0.37   1.081% *  0.0540% (0.34  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HB2   LEU  123  20.25 +/- 5.12   0.307% *  0.1420% (0.90  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB2   LEU  123  19.93 +/- 2.35   0.128% *  0.1210% (0.76  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   LEU  123  22.42 +/- 4.29   0.323% *  0.0395% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  24.14 +/- 3.71   0.083% *  0.1373% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  23.65 +/- 3.95   0.119% *  0.0960% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  29.05 +/- 3.42   0.041% *  0.1420% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.97, support = 6.23, residual support = 199.2:
      O   HN    LEU  123 - HB2   LEU  123   2.35 +/- 0.23  81.447% * 89.1703% (0.98  10.0   6.28 203.97) =  97.497%  kept
          HN    ALA  124 - HB2   LEU  123   4.15 +/- 0.18  17.307% * 10.7672% (0.57   1.0   4.18  11.95) =   2.502%  kept
          HE21  GLN   17 - HB2   LEU  123  23.08 +/- 5.13   1.246% *  0.0625% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.30 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 = 0.564, support = 5.16, residual support = 29.6:
        T HA    ALA  120 - QD1   LEU  123   2.35 +/- 0.55  85.588% * 93.5237% (0.57 10.00   5.17  29.74) =  99.407%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.62 +/- 0.34   9.257% *  5.0842% (0.20  1.00   3.11   2.43) =   0.585%  kept
        T HA    SER   48 - QD1   LEU  123  19.58 +/- 3.57   0.378% *  0.5099% (0.31 10.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - QD1   LEU  123  12.66 +/- 2.59   0.930% *  0.1563% (0.95  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU  123  15.72 +/- 3.83   0.967% *  0.1481% (0.90  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - QD1   LEU  123  17.08 +/- 3.54   0.858% *  0.1262% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QD1   LEU  123  19.58 +/- 3.21   0.359% *  0.0935% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  18.59 +/- 3.37   0.421% *  0.0563% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.56 +/- 2.25   0.527% *  0.0412% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  23.30 +/- 2.60   0.131% *  0.1481% (0.90  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  24.09 +/- 3.06   0.138% *  0.0869% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  17.97 +/- 3.31   0.446% *  0.0255% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3354 (7.46, 1.35, 61.60 ppm):
    3 chemical-shift based assignments, quality = 0.577, support = 1.83, residual support = 9.2:
      O   HN    ALA  124 - QB    ALA  124   2.23 +/- 0.29  90.076% * 79.2038% (0.57  10.0   1.80   9.12) =  97.298%  kept
          HN    LEU  123 - QB    ALA  124   5.50 +/- 0.43   9.573% * 20.6895% (0.98   1.0   2.72  11.95) =   2.701%  kept
          HE21  GLN   17 - QB    ALA  124  19.99 +/- 4.31   0.351% *  0.1067% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.977, support = 1.82, residual support = 9.17:
      O   HN    ALA  124 - HA    ALA  124   2.75 +/- 0.19  83.846% * 88.8862% (0.98  10.0   1.80   9.12) =  98.313%  kept
          HN    LEU  123 - HA    ALA  124   5.45 +/- 0.27  11.659% * 10.9610% (0.80   1.0   2.72  11.95) =   1.686%  kept
          HE21  GLN   17 - HA    ALA  124  24.17 +/- 5.18   0.764% *  0.1007% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ALA  120 - HA    ALA  124   9.58 +/- 0.49   2.160% *  0.0176% (0.18   1.0   0.02   0.02) =   0.001%
          HE21  GLN   17 - HA    ALA   34  16.18 +/- 3.62   0.595% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  20.91 +/- 5.20   0.353% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.28 +/- 4.15   0.366% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  20.79 +/- 2.93   0.259% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.929, support = 4.71, residual support = 66.8:
      O   HN    ALA  124 - HA    LEU  123   2.27 +/- 0.03  65.340% * 55.0021% (0.98  10.0   4.10  11.95) =  71.457%  kept
      O   HN    LEU  123 - HA    LEU  123   2.88 +/- 0.04  31.947% * 44.9320% (0.80  10.0   6.24 203.97) =  28.542%  kept
          HN    ALA  120 - HA    LEU  123   6.85 +/- 0.32   2.432% *  0.0098% (0.18   1.0   0.02  29.74) =   0.000%
          HE21  GLN   17 - HA    LEU  123  21.59 +/- 4.57   0.281% *  0.0561% (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 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  15.80 +/- 5.03 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.37 A violated in 20 structures by 12.42 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.99, residual support = 23.6:
      O   HN    ILE  103 - HA    LYS+ 102   2.32 +/- 0.14  99.288% * 99.7350% (0.69  10.0   5.99  23.65) = 100.000%  kept
          HN    SER   82 - HA    LYS+ 102  21.70 +/- 5.25   0.232% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA    LYS+ 102  23.23 +/- 3.41   0.133% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.38 +/- 0.81   0.176% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.46 +/- 4.04   0.173% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.8:
      O   HN    PHE   95 - HA    THR   94   2.32 +/- 0.14 100.000% *100.0000% (0.73  10.0   3.16  14.75) = 100.000%  kept
    Distance limit 2.52 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 = 5.89, residual support = 85.1:
      O   HN    LEU   80 - HB2   LEU   80   2.83 +/- 0.63  97.955% * 99.7811% (1.00  10.0   5.89  85.08) =  99.999%  kept
          HN    ALA   34 - HB2   LEU   80  20.17 +/- 6.34   0.627% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   80  17.42 +/- 3.21   0.533% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  19.24 +/- 7.69   0.885% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.28, residual support = 85.1:
      O   HN    LEU   80 - HB3   LEU   80   3.27 +/- 0.42  96.862% * 99.7811% (1.00  10.0   6.28  85.08) =  99.998%  kept
          HN    CYS   53 - HB3   LEU   80  17.72 +/- 3.15   0.941% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    ALA   34 - HB3   LEU   80  20.51 +/- 6.30   0.849% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  19.53 +/- 7.74   1.349% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.31, residual support = 84.8:
      O   HA    LEU   80 - HB3   LEU   80   2.76 +/- 0.21  85.477% * 95.3877% (0.98  10.0   5.32  85.08) =  99.667%  kept
          HA    ASP-  78 - HB3   LEU   80   6.97 +/- 0.54   6.269% *  3.3722% (0.61   1.0   1.14   6.34) =   0.258%  kept
          HA    THR   23 - HB3   LEU   80  14.23 +/- 9.42   5.342% *  1.0898% (0.90   1.0   0.25   0.86) =   0.071%
          HB    THR   23 - HB3   LEU   80  15.97 +/- 9.04   2.618% *  0.0873% (0.90   1.0   0.02   0.86) =   0.003%
          HA    ASP- 105 - HB3   LEU   80  20.68 +/- 4.36   0.294% *  0.0630% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.464, support = 4.27, residual support = 85.0:
      O   QD2   LEU   80 - HB3   LEU   80   2.92 +/- 0.41  41.664% * 77.3053% (0.57  10.0  1.00   4.10  85.08) =  76.260%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.62 +/- 0.33  54.108% * 18.4793% (0.14  10.0  1.00   4.85  85.08) =  23.674%  kept
        T QD1   LEU   73 - HB3   LEU   80  11.04 +/- 3.32   1.444% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.043%
        T QD1   LEU   63 - HB3   LEU   80  15.79 +/- 3.55   0.380% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.011%
        T QD2   LEU   63 - HB3   LEU   80  16.33 +/- 2.78   0.272% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU  104 - HB3   LEU   80  17.93 +/- 4.45   0.325% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   98 - HB3   LEU   80  13.47 +/- 4.51   1.073% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  17.63 +/- 3.06   0.235% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  13.66 +/- 3.27   0.500% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.79, residual support = 84.7:
      O   HA    LEU   80 - HG    LEU   80   3.50 +/- 0.45  54.293% * 95.8603% (0.63  10.0   4.81  85.08) =  99.540%  kept
          HA    THR   23 - HG    LEU   80  13.40 +/- 9.95  10.803% *  1.0952% (0.58   1.0   0.25   0.86) =   0.226%  kept
          HA    ASP-  78 - HG    LEU   80   8.47 +/- 0.79   4.721% *  2.3068% (0.39   1.0   0.78   6.34) =   0.208%  kept
          HA    ASP- 105 - HG    LEU   40  11.06 +/- 2.53   9.264% *  0.0476% (0.31   1.0   0.02   0.02) =   0.008%
          HB    THR   23 - HG    LEU   80  15.12 +/- 9.56   3.374% *  0.0877% (0.58   1.0   0.02   0.86) =   0.006%
          HA    THR   23 - HG    LEU   73  11.16 +/- 3.95   4.089% *  0.0348% (0.23   1.0   0.02   0.17) =   0.003%
          HB    THR   23 - HG    LEU   73  11.97 +/- 4.04   3.214% *  0.0348% (0.23   1.0   0.02   0.17) =   0.002%
          HB    THR   23 - HG12  ILE   19  12.05 +/- 1.96   1.838% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  12.23 +/- 1.11   1.527% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   73  14.70 +/- 3.36   1.129% *  0.0380% (0.25   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG12  ILE   19  19.12 +/- 3.84   1.612% *  0.0215% (0.14   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  19.28 +/- 2.20   0.414% *  0.0660% (0.44   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   80  21.01 +/- 4.70   0.429% *  0.0633% (0.42   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG    LEU   40  19.81 +/- 2.36   0.389% *  0.0660% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  20.90 +/- 3.16   0.356% *  0.0721% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.81 +/- 3.31   0.879% *  0.0251% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  15.99 +/- 1.37   0.647% *  0.0235% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  20.38 +/- 6.92   0.454% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  21.78 +/- 1.98   0.290% *  0.0446% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  21.74 +/- 4.80   0.280% *  0.0202% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.192, support = 5.2, residual support = 146.8:
          HN    LEU   73 - HG    LEU   73   2.81 +/- 0.77  36.193% * 41.0849% (0.20   5.66 172.16) =  72.813%  kept
          HN    ILE   19 - HG12  ILE   19   3.00 +/- 0.76  31.845% *  7.8738% (0.03   6.26 171.75) =  12.278%  kept
          HN    VAL   42 - HG    LEU   40   5.58 +/- 1.20   6.674% * 32.4669% (0.37   2.36   1.71) =  10.611%  kept
          HN    VAL   42 - HG    LEU   73   6.90 +/- 1.84   3.763% *  8.4551% (0.20   1.16   0.62) =   1.558%  kept
          HN    ILE   19 - HG    LEU   73   8.69 +/- 5.69   7.249% *  4.2073% (0.04   2.87   5.22) =   1.493%  kept
          HN    LEU   73 - HG12  ILE   19   8.35 +/- 5.49   6.469% *  3.6541% (0.17   0.59   5.22) =   1.158%  kept
          HN    LYS+ 106 - HG    LEU   40  12.08 +/- 2.37   2.425% *  0.3011% (0.41   0.02   0.02) =   0.036%
          HN    LEU   73 - HG    LEU   40   9.58 +/- 2.08   1.307% *  0.2755% (0.37   0.02   0.02) =   0.018%
          HN    VAL   42 - HG12  ILE   19  10.42 +/- 4.31   1.550% *  0.1246% (0.17   0.02   0.02) =   0.009%
          HN    LEU   73 - HG    LEU   80  14.07 +/- 4.17   0.477% *  0.3661% (0.49   0.02   0.02) =   0.009%
          HN    VAL   42 - HG    LEU   80  15.37 +/- 4.16   0.446% *  0.3661% (0.49   0.02   0.02) =   0.008%
          HN    LYS+ 106 - HG    LEU   73  15.81 +/- 3.18   0.389% *  0.1588% (0.21   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   80  20.39 +/- 4.39   0.143% *  0.4001% (0.54   0.02   0.02) =   0.003%
          HN    ILE   19 - HG    LEU   40  12.89 +/- 3.23   0.582% *  0.0556% (0.08   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG12  ILE   19  19.77 +/- 3.43   0.177% *  0.1362% (0.18   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   80  19.14 +/- 8.77   0.311% *  0.0739% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.94, residual support = 172.0:
      O T HA    LYS+  99 - HB3   LYS+  99   2.85 +/- 0.26  79.763% * 93.0276% (0.76  10.0 10.00   5.98 173.61) =  99.030%  kept
          HA    LEU   40 - HB3   LYS+  99   5.87 +/- 1.77  14.495% *  4.9514% (0.65   1.0  1.00   1.26  10.27) =   0.958%  kept
          HA    ASN   35 - HB3   LYS+  99   9.54 +/- 1.70   2.968% *  0.1092% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ILE   56 - HB3   LYS+  99  21.91 +/- 2.79   0.246% *  1.1237% (0.92   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ASP- 113 - HB3   LYS+  99  20.75 +/- 1.85   0.251% *  0.5004% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB3   LYS+  99  16.49 +/- 6.80   0.925% *  0.1193% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LYS+  99  20.56 +/- 4.90   0.805% *  0.0593% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  18.97 +/- 2.99   0.350% *  0.0546% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  23.35 +/- 3.87   0.198% *  0.0546% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.86, residual support = 173.6:
      O   HN    LYS+  99 - HB3   LYS+  99   3.08 +/- 0.23  80.419% * 99.4797% (0.31  10.0   3.86 173.61) =  99.970%  kept
          HE1   HIS  122 - HB3   LYS+  99  13.71 +/- 7.77  14.778% *  0.0804% (0.25   1.0   0.02   0.02) =   0.015%
          HN    ASN   35 - HB3   LYS+  99  10.68 +/- 1.90   4.220% *  0.2692% (0.84   1.0   0.02   0.02) =   0.014%
          HN    ALA   12 - HB3   LYS+  99  25.92 +/- 4.29   0.221% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  22.04 +/- 3.29   0.361% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.92, residual support = 17.7:
        T QD1   LEU  104 - HB3   LYS+  99   3.22 +/- 2.36  77.669% * 97.6179% (0.41 10.00   1.92  17.77) =  99.892%  kept
        T QG2   ILE   89 - HB3   LYS+  99  18.58 +/- 2.66   2.949% *  2.0638% (0.84 10.00   0.02   0.02) =   0.080%
          QG1   VAL   83 - HB3   LYS+  99  16.81 +/- 4.40   6.751% *  0.2143% (0.87  1.00   0.02   0.02) =   0.019%
          QD2   LEU  115 - HB3   LYS+  99  14.44 +/- 1.72   8.104% *  0.0489% (0.20  1.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - HB3   LYS+  99  18.12 +/- 4.14   4.527% *  0.0550% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.57 A violated in 2 structures by 0.68 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 1.86, residual support = 10.1:
        T QD2   LEU   40 - HB3   LYS+  99   4.57 +/- 1.59  63.840% * 96.4987% (0.76 10.00   1.87  10.27) =  98.748%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.15 +/- 0.56  24.310% *  3.1766% (0.61  1.00   0.78   0.12) =   1.238%  kept
          QD1   LEU   67 - HB3   LYS+  99  12.39 +/- 3.05   4.422% *  0.0979% (0.73  1.00   0.02   0.02) =   0.007%
          HB    VAL   75 - HB3   LYS+  99  16.15 +/- 1.77   1.865% *  0.1275% (0.95  1.00   0.02   0.02) =   0.004%
          QD1   ILE  119 - HB3   LYS+  99  14.31 +/- 3.33   4.456% *  0.0336% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB3   LYS+  99  19.38 +/- 2.29   1.107% *  0.0656% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 3 structures by 0.77 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.6, residual support = 173.6:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.79 +/- 0.20  89.556% * 99.4593% (0.97  10.0   5.60 173.61) =  99.992%  kept
          HB2   LEU   31 - HB3   LYS+  99  12.13 +/- 3.13   4.139% *  0.0708% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HB3   LYS+  99   9.90 +/- 1.47   2.443% *  0.1028% (1.00   1.0   0.02   0.02) =   0.003%
          QB    ALA   88 - HB3   LYS+  99  21.67 +/- 3.99   0.322% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  15.29 +/- 6.14   1.379% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  16.44 +/- 3.11   0.595% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.16 +/- 1.58   0.467% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  22.01 +/- 4.98   0.399% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  16.20 +/- 1.51   0.506% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  22.57 +/- 2.18   0.193% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 173.6:
      O T HB2   LYS+  99 - HA    LYS+  99   2.67 +/- 0.24  97.883% * 99.7492% (0.99  10.0 10.00   7.00 173.61) =  99.998%  kept
          HB    VAL   43 - HA    LYS+  99  11.28 +/- 0.99   1.569% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HA    LYS+  99  19.35 +/- 3.12   0.350% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  23.97 +/- 3.03   0.199% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.714, support = 5.19, residual support = 181.3:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.56 +/- 0.33  29.403% * 58.3907% (0.99  10.0  1.00   5.16 173.61) =  57.407%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.34 +/- 0.14  36.798% * 20.0954% (0.34  10.0 10.00   5.26 173.61) =  24.726%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.65 +/- 0.25  26.760% * 19.9563% (0.34  10.0 10.00   5.20 217.01) =  17.857%  kept
        T QD    LYS+  99 - HG3   LYS+  38   7.26 +/- 2.09   4.374% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   ILE   56 - HG3   LYS+  99  17.88 +/- 2.86   0.121% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG3   LYS+  99  12.69 +/- 1.76   0.302% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG12  ILE   89  12.53 +/- 3.58   0.510% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  24.04 +/- 3.51   0.044% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HG3   LYS+  38   9.52 +/- 1.84   0.805% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.41 +/- 2.56   0.192% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  21.78 +/- 2.66   0.052% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  21.96 +/- 2.76   0.058% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.05 +/- 3.00   0.153% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  16.79 +/- 2.45   0.138% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  22.72 +/- 3.20   0.048% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  17.60 +/- 3.33   0.128% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  28.71 +/- 3.32   0.023% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  18.20 +/- 1.96   0.091% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.39, residual support = 173.6:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.75 +/- 0.24  90.627% * 97.9462% (0.99  10.0 10.00   6.40 173.61) =  99.978%  kept
        T HB    VAL   43 - HG3   LYS+  99  13.62 +/- 1.55   0.882% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   43 - HG12  ILE   89  12.37 +/- 2.69   1.410% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LYS+  99 - HG3   LYS+  38   9.44 +/- 1.80   3.681% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  99 - HG12  ILE   89  22.28 +/- 3.24   0.210% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89  10.96 +/- 1.49   1.761% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  99  20.21 +/- 3.12   0.340% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.17 +/- 3.11   0.138% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.92 +/- 1.45   0.374% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  28.09 +/- 5.07   0.110% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  19.42 +/- 3.67   0.378% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.74 +/- 2.27   0.090% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.47, residual support = 119.7:
    * O   HA    GLN  116 - HG3   GLN  116   3.33 +/- 0.62  95.703% * 99.5202% (1.00  10.0   5.47 119.68) =  99.997%  kept
          HA    VAL   70 - HG3   GLN  116  18.03 +/- 3.36   1.102% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  20.30 +/- 4.32   0.753% *  0.0684% (0.69   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HG3   GLN  116  20.59 +/- 4.04   0.862% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  27.90 +/- 3.76   0.222% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  27.95 +/- 4.70   0.256% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  22.66 +/- 5.00   0.650% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  25.23 +/- 2.57   0.263% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  28.89 +/- 3.16   0.188% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.96, residual support = 119.7:
      O   HB2   GLN  116 - HG3   GLN  116   2.51 +/- 0.32  94.173% * 99.6757% (0.98  10.0   5.96 119.68) =  99.997%  kept
          HB2   PRO   58 - HG3   GLN  116   8.81 +/- 2.84   4.702% *  0.0456% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HG3   GLN  116  14.32 +/- 2.05   0.657% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG3   GLN  116  24.48 +/- 2.06   0.129% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  23.38 +/- 2.46   0.147% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  25.81 +/- 3.62   0.192% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 6.78, residual support = 98.6:
          QD2   LEU  115 - HG3   GLN  116   4.51 +/- 1.16  59.566% * 96.1516% (0.97   6.85  99.74) =  98.848%  kept
          QD1   LEU   63 - HG3   GLN  116   9.44 +/- 2.70  22.583% *  2.8573% (0.69   0.29   0.02) =   1.114%  kept
          QD1   LEU   73 - HG3   GLN  116  16.81 +/- 5.07   4.969% *  0.1997% (0.69   0.02   0.02) =   0.017%
          QD1   LEU  104 - HG3   GLN  116  15.15 +/- 2.04   1.623% *  0.2850% (0.98   0.02   0.02) =   0.008%
          QD2   LEU   63 - HG3   GLN  116  10.14 +/- 2.21   9.892% *  0.0449% (0.15   0.02   0.02) =   0.008%
          QD2   LEU   80 - HG3   GLN  116  21.69 +/- 3.09   0.599% *  0.2850% (0.98   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG3   GLN  116  20.33 +/- 3.15   0.768% *  0.1764% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.42, residual support = 119.7:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.511% * 99.7025% (0.98  10.0  1.00   6.42 119.68) =  99.999%  kept
          HB3   PHE   95 - HG3   GLN  116  11.11 +/- 1.37   0.444% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  29.98 +/- 5.90   0.045% *  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 = 4.14, residual support = 119.5:
      O   HE21  GLN  116 - HG3   GLN  116   3.09 +/- 0.62  76.406% * 99.1528% (0.69  10.0   4.15 119.68) =  99.853%  kept
          HN    ALA  120 - HG3   GLN  116   6.62 +/- 1.50  18.386% *  0.5753% (0.31   1.0   0.26   0.18) =   0.139%  kept
          HN    ALA   57 - HG3   GLN  116   9.86 +/- 2.46   4.775% *  0.1103% (0.76   1.0   0.02   0.02) =   0.007%
          HE21  GLN   90 - HG3   GLN  116  25.93 +/- 3.35   0.294% *  0.1393% (0.97   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG3   GLN  116  27.47 +/- 3.25   0.140% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.698, support = 7.21, residual support = 112.7:
          HN    GLN  116 - HG3   GLN  116   3.72 +/- 0.61  59.613% * 80.0090% (0.69   7.61 119.68) =  94.188%  kept
          HN    THR  118 - HG3   GLN  116   6.46 +/- 0.68  15.746% * 14.1326% (0.92   1.00   0.12) =   4.395%  kept
          HN    PHE   60 - HG3   GLN  116   9.39 +/- 2.59  13.466% *  3.6873% (1.00   0.24   0.02) =   0.981%  kept
          HN    GLU- 114 - HG3   GLN  116   6.71 +/- 1.06  10.912% *  2.0220% (0.25   0.53   1.87) =   0.436%  kept
          HN    GLU-  15 - HG3   GLN  116  26.43 +/- 4.56   0.263% *  0.1490% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.913, support = 6.53, residual support = 177.3:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  42.912% * 82.9901% (1.00  10.0 10.00   6.53 173.61) =  90.499%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  42.912% *  8.3761% (0.10  10.0 10.00   6.55 221.00) =   9.134%  kept
          QB    ALA   88 - HG12  ILE   89   4.98 +/- 0.72   2.269% *  6.0363% (0.28   1.0  1.00   5.21   9.71) =   0.348%  kept
        T HG2   LYS+  38 - HG3   LYS+  99   8.44 +/- 1.63   0.563% *  0.8027% (0.97   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   LYS+  99 - HG3   LYS+  38   7.57 +/- 1.91   1.221% *  0.0866% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - HG3   LYS+  99  12.16 +/- 3.30   0.596% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  16.46 +/- 3.53   0.087% *  0.3114% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG12  ILE   89   5.56 +/- 1.60   4.477% *  0.0059% (0.07   1.0  1.00   0.02  12.53) =   0.001%
          QG2   THR   77 - HG12  ILE   89   6.73 +/- 1.58   1.628% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.93 +/- 2.13   0.018% *  0.7678% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.67 +/- 1.13   0.652% *  0.0207% (0.25   1.0  1.00   0.02  18.22) =   0.000%
          HB3   LEU   80 - HG12  ILE   89  11.06 +/- 1.85   0.237% *  0.0245% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.07 +/- 6.22   0.170% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.84 +/- 2.99   0.069% *  0.0504% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  17.27 +/- 7.10   0.807% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.98 +/- 5.10   0.038% *  0.0604% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.04 +/- 1.62   0.052% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  13.51 +/- 1.65   0.106% *  0.0164% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.04 +/- 3.97   0.026% *  0.0571% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.58 +/- 1.95   0.174% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.63 +/- 1.24   0.228% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.09 +/- 1.87   0.045% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  22.42 +/- 5.25   0.032% *  0.0293% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  19.16 +/- 3.13   0.042% *  0.0205% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  17.96 +/- 4.37   0.075% *  0.0084% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  24.45 +/- 3.31   0.019% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.45 +/- 2.36   0.272% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  21.49 +/- 3.14   0.034% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  25.69 +/- 3.82   0.034% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  29.18 +/- 3.11   0.010% *  0.0326% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.46 +/- 1.23   0.024% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.50 +/- 2.96   0.045% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.89 +/- 1.41   0.027% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.86 +/- 4.18   0.017% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.91 +/- 3.58   0.014% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.76 +/- 3.33   0.010% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.40 +/- 1.50   0.025% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  24.57 +/- 2.47   0.018% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.33 +/- 1.79   0.013% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2700
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    113
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1256
      with multiple volume contributions     :    975
      eliminated by violation filter         :     90
 
    Peaks:
      selected                               :   2700
      without assignment                     :    110
      with assignment                        :   2590
      with unique assignment                 :   1555
      with multiple assignment               :   1035
      with reference assignment              :   1605
      with identical reference assignment    :   1030
      with compatible reference assignment   :    567
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    985
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QD2   LEU   40       2.9
    QD    PHE   45       3.8
    QG2   ILE   56       3.0
    QD    PHE   59       2.5
    QD    PHE   60       3.1
    HN    LYS+  65       5.2
    HZ    PHE   72       3.5
    QD1   ILE   89       3.5
    HB3   MET   96       2.9
    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   2.82 +/- 0.65  86.705% * 98.3426% (0.87 10.00   3.95  72.40) =  99.955%  kept
        T QB    SER  117 - QD    PHE   60  11.40 +/- 1.82   2.107% *  1.0168% (0.90 10.00   0.02   0.02) =   0.025%
        T QB    SER   48 - QD    PHE   60  11.93 +/- 3.63   2.928% *  0.4255% (0.38 10.00   0.02   0.02) =   0.015%
          HB    THR   94 - QD    PHE   60  10.25 +/- 2.80   2.621% *  0.0552% (0.49  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QD    PHE   60  11.47 +/- 1.92   1.874% *  0.0733% (0.65  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD    PHE   60  13.81 +/- 2.14   1.439% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  12.35 +/- 2.01   2.325% *  0.0224% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.69 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 = 1.03, residual support = 74.4:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  94.986% * 81.1464% (0.69  10.0   1.01  74.43) =  99.067%  kept
          HN    TRP   87 - HZ3   TRP   87   7.24 +/- 0.31   3.942% * 18.3843% (0.61   1.0   2.60  74.43) =   0.931%  kept
          HN    ALA   91 - HZ3   TRP   87  13.50 +/- 1.29   0.664% *  0.0719% (0.31   1.0   0.02   0.02) =   0.001%
          HD21  ASN   69 - HZ3   TRP   87  25.53 +/- 5.56   0.131% *  0.1319% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  28.76 +/- 6.79   0.095% *  0.1780% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  21.20 +/- 2.77   0.182% *  0.0874% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  19.13 +/- 5.19 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.45 A violated in 20 structures by 13.68 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 1.1, residual support = 4.88:
          QB    ALA   20 - HE1   HIS   22   3.67 +/- 1.33  79.346% * 76.5550% (0.76   1.15   5.17) =  94.359%  kept
          QG2   VAL  107 - HE1   HIS   22  20.04 +/- 4.18  18.160% * 19.8631% (0.95   0.24   0.02) =   5.603%  kept
          HG2   LYS+ 121 - HE1   HIS   22  26.26 +/- 4.90   0.724% *  1.7423% (1.00   0.02   0.02) =   0.020%
          HG13  ILE  103 - HE1   HIS   22  22.22 +/- 3.76   0.770% *  0.9187% (0.53   0.02   0.02) =   0.011%
          HB3   LEU   31 - HE1   HIS   22  17.86 +/- 1.40   0.629% *  0.4354% (0.25   0.02   0.02) =   0.004%
          HG13  ILE  119 - HE1   HIS   22  22.38 +/- 3.84   0.371% *  0.4855% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.53 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 = 0.441, support = 4.58, residual support = 37.5:
          HN    ASN   28 - HD1   TRP   27   2.92 +/- 0.38  81.657% * 36.3652% (0.25   5.36  50.38) =  74.156%  kept
          HN    GLU-  25 - HD1   TRP   27   5.18 +/- 0.87  16.407% * 63.0177% (0.99   2.34   0.59) =  25.820%  kept
          HN    ASP-  44 - HD1   TRP   27  12.15 +/- 2.66   1.701% *  0.5332% (0.98   0.02   0.02) =   0.023%
          HN    ALA  110 - HD1   TRP   27  22.86 +/- 3.19   0.235% *  0.0839% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.34, residual support = 106.7:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.34 106.70) = 100.000%  kept
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (6.35, 7.32, 120.14 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 1.55, residual support = 106.7:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  98.760% * 99.9799% (0.89  10.0   1.55 106.70) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  12.84 +/- 2.05   1.240% *  0.0201% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.956, support = 4.15, residual support = 106.7:
          HA    TRP   27 - HE3   TRP   27   3.19 +/- 0.58  91.202% * 98.5371% (0.96   4.15 106.70) =  99.985%  kept
          HA    ALA   91 - HE3   TRP   27  18.71 +/- 4.10   1.087% *  0.4875% (0.98   0.02   0.02) =   0.006%
          HA    VAL  107 - HE3   TRP   27  17.91 +/- 1.59   0.729% *  0.4540% (0.91   0.02   0.02) =   0.004%
          HA    ALA   91 - HN    LEU   67  20.26 +/- 4.30   2.048% *  0.0759% (0.15   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    LEU   67  15.57 +/- 2.43   1.508% *  0.0739% (0.15   0.02   0.02) =   0.001%
          HA    PRO   52 - HE3   TRP   27  22.16 +/- 2.83   0.491% *  0.1846% (0.37   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  17.53 +/- 3.01   0.826% *  0.0706% (0.14   0.02   0.02) =   0.001%
          HA    ALA  110 - HE3   TRP   27  21.41 +/- 2.85   0.518% *  0.0759% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  18.70 +/- 2.68   0.901% *  0.0287% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  19.47 +/- 3.22   0.690% *  0.0118% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 106.7:
      O   HB3   TRP   27 - HE3   TRP   27   2.61 +/- 0.17  90.475% * 98.0783% (0.17  10.0   4.50 106.70) =  99.970%  kept
          QE    LYS+  99 - HE3   TRP   27  12.84 +/- 3.25   2.860% *  0.4678% (0.83   1.0   0.02   0.02) =   0.015%
          QE    LYS+ 102 - HE3   TRP   27  14.46 +/- 3.89   1.230% *  0.5405% (0.96   1.0   0.02   0.02) =   0.007%
          QE    LYS+  38 - HE3   TRP   27  15.17 +/- 1.94   0.624% *  0.5551% (0.98   1.0   0.02   0.02) =   0.004%
          HB2   PHE   97 - HE3   TRP   27  13.59 +/- 2.31   1.346% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HN    LEU   67  13.56 +/- 2.97   0.829% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  16.67 +/- 2.94   0.520% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  19.98 +/- 2.43   0.272% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  15.03 +/- 2.78   0.915% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  14.56 +/- 3.01   0.930% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (0.76, 7.32, 120.14 ppm):
    16 chemical-shift based assignments, quality = 0.66, support = 2.13, residual support = 11.1:
          QG1   VAL   43 - HE3   TRP   27   7.02 +/- 3.29  13.045% * 51.7681% (0.99   2.13   4.40) =  42.542%  kept
          QD2   LEU   73 - HE3   TRP   27   4.93 +/- 2.99  26.088% * 20.0446% (0.28   2.96  17.39) =  32.943%  kept
          HG    LEU   31 - HE3   TRP   27   4.57 +/- 1.19  18.188% * 13.0846% (0.41   1.31  22.96) =  14.992%  kept
          QG1   VAL   41 - HE3   TRP   27   7.33 +/- 2.37  10.926% * 13.4498% (0.94   0.58   0.11) =   9.257%  kept
          QD2   LEU  104 - HE3   TRP   27  11.67 +/- 3.95   7.381% *  0.1659% (0.34   0.02   0.02) =   0.077%
          QD1   ILE   19 - HE3   TRP   27   7.71 +/- 1.49   3.594% *  0.2367% (0.48   0.02   0.02) =   0.054%
          QG2   VAL   18 - HE3   TRP   27   9.35 +/- 1.36   1.667% *  0.4490% (0.91   0.02   0.02) =   0.047%
          QG2   VAL   18 - HN    LEU   67   8.75 +/- 4.77   8.180% *  0.0699% (0.14   0.02   0.02) =   0.036%
          QG2   THR   46 - HE3   TRP   27  11.90 +/- 2.87   0.955% *  0.4062% (0.83   0.02   0.02) =   0.024%
          QG2   THR   46 - HN    LEU   67  10.93 +/- 2.70   1.967% *  0.0632% (0.13   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    LEU   67  10.98 +/- 1.61   1.097% *  0.0716% (0.15   0.02   0.02) =   0.005%
          QG1   VAL   43 - HN    LEU   67  11.03 +/- 1.27   0.953% *  0.0757% (0.15   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    LEU   67   9.17 +/- 1.17   3.153% *  0.0210% (0.04   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    LEU   67  11.18 +/- 3.01   1.539% *  0.0368% (0.08   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    LEU   67  15.55 +/- 2.63   0.907% *  0.0311% (0.06   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    LEU   67  14.80 +/- 2.36   0.361% *  0.0258% (0.05   0.02   0.02) =   0.001%
    Distance limit 5.45 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 = 0.483, support = 4.74, residual support = 13.6:
          QD1   LEU   73 - HE3   TRP   27   4.44 +/- 3.67  36.286% * 47.0879% (0.37   5.93  17.39) =  67.643%  kept
          QD2   LEU   80 - HE3   TRP   27  10.34 +/- 7.48  16.499% * 41.3166% (0.76   2.56   6.92) =  26.987%  kept
          QD1   LEU   63 - HE3   TRP   27  10.68 +/- 3.27  14.189% *  6.8791% (0.37   0.87   0.02) =   3.864%  kept
          QD1   LEU  104 - HE3   TRP   27  11.65 +/- 4.28  10.796% *  1.5459% (0.94   0.08   0.02) =   0.661%  kept
          QD2   LEU  115 - HE3   TRP   27  14.63 +/- 3.66  10.059% *  1.2899% (0.72   0.08   0.02) =   0.514%  kept
          QG1   VAL   83 - HE3   TRP   27  11.65 +/- 7.07   5.500% *  1.4761% (0.89   0.08   0.02) =   0.321%  kept
          QD1   LEU   63 - HN    LEU   67   5.93 +/- 0.67   3.991% *  0.0247% (0.06   0.02   0.02) =   0.004%
          QG2   ILE   89 - HE3   TRP   27  14.82 +/- 4.38   0.449% *  0.1176% (0.28   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU   67  11.28 +/- 1.38   0.514% *  0.0478% (0.11   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   67  13.90 +/- 2.54   0.363% *  0.0622% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  11.14 +/- 1.23   0.689% *  0.0247% (0.06   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   67  15.99 +/- 2.31   0.314% *  0.0503% (0.12   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    LEU   67  16.69 +/- 2.43   0.181% *  0.0590% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  16.91 +/- 3.04   0.170% *  0.0183% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.683, support = 0.656, residual support = 1.08:
          QG2   VAL   75 - HE3   TRP   27   6.38 +/- 4.15  45.110% * 57.4984% (0.72   0.67   1.35) =  77.856%  kept
          QG2   VAL   42 - HE3   TRP   27   8.90 +/- 1.27  17.348% * 42.0243% (0.56   0.63   0.13) =  21.883%  kept
          QG2   VAL   42 - HN    LEU   67   7.90 +/- 2.43  23.553% *  0.2091% (0.09   0.02   0.02) =   0.148%  kept
          QG2   VAL   75 - HN    LEU   67  10.19 +/- 0.82  13.989% *  0.2682% (0.11   0.02   0.02) =   0.113%  kept
    Distance limit 4.66 A violated in 4 structures by 0.76 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.73, residual support = 35.3:
      O T HB2   HIS   22 - HD2   HIS   22   3.84 +/- 0.31  95.202% * 99.9216% (0.92  10.0 10.00   2.73  35.33) =  99.998%  kept
          HA    LEU   63 - HD2   HIS   22  17.65 +/- 4.41   2.482% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HD2   HIS   22  24.25 +/- 5.83   2.316% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.88 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 = 3.32, residual support = 35.3:
      O T HB3   HIS   22 - HD2   HIS   22   3.12 +/- 0.37  94.105% * 99.8217% (0.45  10.0 10.00   3.32  35.33) =  99.989%  kept
          HD3   ARG+  54 - HD2   HIS   22  22.83 +/- 6.47   5.895% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.011%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  11.51 +/- 4.85  38.131% * 29.7119% (0.92   0.02   0.02) =  54.595%  kept
          QB    CYS   50 - HD2   HIS   22  18.27 +/- 4.11  13.965% * 28.8658% (0.90   0.02   0.02) =  19.425%  kept
          HB3   ASP-  78 - HD2   HIS   22  17.53 +/- 6.81  12.519% * 19.5221% (0.61   0.02   0.02) =  11.777%  kept
          HB3   ASN   69 - HD2   HIS   22  19.93 +/- 4.84   9.943% * 16.9340% (0.53   0.02   0.02) =   8.114%  kept
          HB2   PHE   72 - HD2   HIS   22  12.94 +/- 3.03  25.442% *  4.9662% (0.15   0.02   0.02) =   6.089%  kept
    Distance limit 5.49 A violated in 17 structures by 4.40 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.18, residual support = 5.17:
        T QB    ALA   20 - HD2   HIS   22   3.67 +/- 0.95  77.052% * 98.9678% (0.28 10.00   2.18   5.17) =  99.919%  kept
          QG2   VAL  107 - HD2   HIS   22  18.78 +/- 4.09  16.482% *  0.3088% (0.87  1.00   0.02   0.02) =   0.067%
          HG2   LYS+ 121 - HD2   HIS   22  24.26 +/- 5.78   2.014% *  0.2303% (0.65  1.00   0.02   0.02) =   0.006%
          HG13  ILE  103 - HD2   HIS   22  19.65 +/- 3.42   1.157% *  0.3435% (0.97  1.00   0.02   0.02) =   0.005%
          QG2   THR   94 - HD2   HIS   22  16.78 +/- 2.81   1.821% *  0.0704% (0.20  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HD2   HIS   22  25.23 +/- 6.25   1.474% *  0.0792% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 5.07 A violated in 0 structures by 0.07 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  18.05 +/- 5.11 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.44 A violated in 19 structures by 12.61 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.23, residual support = 8.64:
          HA    CYS   21 - HD2   HIS   22   3.80 +/- 0.17  93.698% * 97.4293% (0.95   3.23   8.64) =  99.971%  kept
          HA    TRP   49 - HD2   HIS   22  22.05 +/- 5.55   1.471% *  0.6373% (1.00   0.02   0.02) =   0.010%
          HA    CYS   50 - HD2   HIS   22  21.23 +/- 4.72   1.137% *  0.6028% (0.95   0.02   0.02) =   0.008%
          HA    LYS+ 102 - HD2   HIS   22  21.24 +/- 3.86   0.769% *  0.4123% (0.65   0.02   0.02) =   0.003%
          HA    ALA   47 - HD2   HIS   22  19.07 +/- 5.37   1.746% *  0.1772% (0.28   0.02   0.02) =   0.003%
          HA1   GLY  109 - HD2   HIS   22  27.17 +/- 4.30   0.467% *  0.6150% (0.97   0.02   0.02) =   0.003%
          HA    VAL  108 - HD2   HIS   22  23.99 +/- 3.94   0.714% *  0.1261% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 3.16, residual support = 48.3:
          HA    ASN   28 - HD1   TRP   27   3.80 +/- 0.60  64.830% * 73.0505% (1.00   3.22  50.38) =  93.972%  kept
          HA    THR   26 - HD1   TRP   27   6.76 +/- 0.52  13.089% * 17.0798% (0.28   2.71  22.64) =   4.436%  kept
          HA    LEU  115 - HD1   TRP   27  19.97 +/- 4.32   9.505% *  8.1079% (0.99   0.36   0.02) =   1.529%  kept
          HA1   GLY  101 - HD1   TRP   27  15.92 +/- 4.65   2.816% *  0.3470% (0.76   0.02   0.02) =   0.019%
          HA    ALA   34 - HD1   TRP   27  12.70 +/- 0.95   1.844% *  0.4191% (0.92   0.02   0.02) =   0.015%
          HA    ALA  124 - HD1   TRP   27  25.47 +/- 5.67   1.683% *  0.2571% (0.57   0.02   0.02) =   0.009%
          HA    GLU- 114 - HD1   TRP   27  23.70 +/- 4.51   1.455% *  0.2754% (0.61   0.02   0.02) =   0.008%
          HA    LYS+  81 - HD1   TRP   27  16.09 +/- 7.70   3.243% *  0.0899% (0.20   0.02   0.02) =   0.006%
          HA    ARG+  54 - HD1   TRP   27  21.99 +/- 3.92   0.790% *  0.3119% (0.69   0.02   0.02) =   0.005%
          HA    GLU-  36 - HD1   TRP   27  17.21 +/- 0.92   0.745% *  0.0614% (0.14   0.02   0.02) =   0.001%
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.55, residual support = 23.7:
          HA    VAL   24 - HD1   TRP   27   2.51 +/- 0.76  98.176% * 99.5590% (1.00   5.55  23.72) =  99.997%  kept
          HA    LYS+  38 - HD1   TRP   27  16.14 +/- 1.74   0.802% *  0.2471% (0.69   0.02   0.02) =   0.002%
          HD2   PRO   68 - HD1   TRP   27  18.74 +/- 4.14   0.481% *  0.1227% (0.34   0.02   0.02) =   0.001%
          HA    ALA   61 - HD1   TRP   27  16.42 +/- 2.69   0.542% *  0.0712% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.65, residual support = 106.7:
      O T HB2   TRP   27 - HD1   TRP   27   2.73 +/- 0.16  98.082% * 99.7544% (0.65  10.0 10.00   3.65 106.70) =  99.997%  kept
          HA    THR   77 - HD1   TRP   27  13.89 +/- 5.75   1.658% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   93 - HD1   TRP   27  20.61 +/- 2.41   0.260% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 106.7:
      O T HB3   TRP   27 - HD1   TRP   27   3.79 +/- 0.09  93.540% * 99.6316% (0.73  10.0 10.00   4.08 106.70) =  99.991%  kept
          QE    LYS+ 106 - HD1   TRP   27  15.86 +/- 4.30   2.313% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   60 - HD1   TRP   27  17.21 +/- 3.77   1.973% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   97 - HD1   TRP   27  16.35 +/- 2.94   2.175% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.88 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 = 0.7, support = 3.07, residual support = 23.7:
          QG2   VAL   24 - HD1   TRP   27   2.56 +/- 0.90  66.486% * 70.8320% (0.76  1.00   3.13  23.72) =  85.870%  kept
          QG1   VAL   24 - HD1   TRP   27   3.88 +/- 0.92  31.262% * 24.7191% (0.31  1.00   2.71  23.72) =  14.091%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.11 +/- 2.13   0.407% *  3.8267% (0.65 10.00   0.02   0.02) =   0.028%
          HG    LEU   63 - HD1   TRP   27  16.83 +/- 4.42   1.541% *  0.3588% (0.61  1.00   0.02   0.02) =   0.010%
          HD3   LYS+ 112 - HD1   TRP   27  24.52 +/- 4.67   0.159% *  0.1317% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  23.42 +/- 4.07   0.146% *  0.1317% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.743, support = 2.82, residual support = 9.75:
          QD2   LEU   80 - HD1   TRP   27   9.52 +/- 8.73  29.495% * 51.0073% (0.87   2.88   6.92) =  60.637%  kept
          QD1   LEU   73 - HD1   TRP   27   6.92 +/- 3.93  24.492% * 32.3391% (0.49   3.26  17.39) =  31.923%  kept
          QG1   VAL   83 - HD1   TRP   27  11.11 +/- 8.22  11.212% *  7.0587% (0.80   0.43   0.02) =   3.190%  kept
          QD1   LEU  104 - HD1   TRP   27  13.86 +/- 4.43  10.171% *  6.9853% (0.99   0.35   0.02) =   2.863%  kept
          QD1   LEU   63 - HD1   TRP   27  13.35 +/- 4.06  14.144% *  2.1883% (0.49   0.22   0.02) =   1.248%  kept
          QD2   LEU  115 - HD1   TRP   27  16.86 +/- 4.17   9.987% *  0.3406% (0.84   0.02   0.02) =   0.137%  kept
          QG2   ILE   89 - HD1   TRP   27  15.17 +/- 4.72   0.500% *  0.0807% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.746, support = 1.87, residual support = 21.3:
          QD2   LEU   31 - HD1   TRP   27   4.20 +/- 0.80  72.874% * 80.2182% (0.73   1.99  22.96) =  92.617%  kept
          QG2   VAL   83 - HD1   TRP   27  11.85 +/- 7.08  24.674% * 18.7872% (1.00   0.34   0.02) =   7.344%  kept
          QD1   ILE   89 - HD1   TRP   27  15.47 +/- 4.49   2.452% *  0.9946% (0.90   0.02   0.02) =   0.039%
    Distance limit 4.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.29, residual support = 106.7:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  97.767% * 99.7536% (0.28  10.0 10.00   1.29 106.70) =  99.994%  kept
          HZ    PHE   72 - HH2   TRP   27  10.26 +/- 1.89   2.233% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.006%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.07, residual support = 106.7:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.07 106.70) = 100.000%  kept
    Distance limit 5.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.55, residual support = 106.7:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  94.597% * 99.6507% (1.00  10.0   1.55 106.70) =  99.996%  kept
          HN    THR   23 - HZ3   TRP   27   9.33 +/- 1.16   2.144% *  0.0783% (0.61   1.0   0.02   1.30) =   0.002%
          QE    PHE   95 - HZ3   TRP   27  12.88 +/- 1.59   0.810% *  0.0835% (0.65   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HZ3   TRP   27  12.84 +/- 2.05   1.188% *  0.0322% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  18.87 +/- 2.72   0.290% *  0.1265% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  16.39 +/- 6.32   0.970% *  0.0287% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.885, support = 1.3, residual support = 6.4:
        T QG1   VAL   43 - HH2   TRP   27   5.08 +/- 3.94  30.435% * 80.0443% (0.92 10.00   1.19   4.40) =  87.024%  kept
          HG    LEU   31 - HH2   TRP   27   4.66 +/- 1.54  23.190% * 10.3099% (0.65  1.00   2.20  22.96) =   8.541%  kept
          QD2   LEU   73 - HH2   TRP   27   5.96 +/- 2.39  13.785% *  7.0257% (0.49  1.00   1.99  17.39) =   3.460%  kept
          QG1   VAL   41 - HH2   TRP   27   6.64 +/- 1.89  11.416% *  2.3246% (1.00  1.00   0.32   0.11) =   0.948%  kept
          QD2   LEU  104 - HH2   TRP   27   9.84 +/- 4.02  13.251% *  0.0254% (0.18  1.00   0.02   0.02) =   0.012%
          QD1   ILE   19 - HH2   TRP   27  10.26 +/- 1.74   5.081% *  0.0404% (0.28  1.00   0.02   0.02) =   0.007%
          QG2   VAL   18 - HH2   TRP   27  11.37 +/- 1.73   1.177% *  0.1054% (0.73  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HH2   TRP   27  11.67 +/- 2.63   0.878% *  0.0881% (0.61  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HH2   TRP   27  13.81 +/- 2.57   0.787% *  0.0362% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.80 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 = 0.879, support = 2.0, residual support = 6.48:
        T QG1   VAL   43 - HZ3   TRP   27   5.61 +/- 3.54  22.341% * 84.4692% (0.92 10.00   1.98   4.40) =  84.533%  kept
          HG    LEU   31 - HZ3   TRP   27   4.39 +/- 1.82  24.151% *  7.2633% (0.65  1.00   2.43  22.96) =   7.858%  kept
          QD2   LEU   73 - HZ3   TRP   27   4.72 +/- 2.77  25.143% *  4.8637% (0.49  1.00   2.16  17.39) =   5.478%  kept
          QG1   VAL   41 - HZ3   TRP   27   6.21 +/- 2.38  14.682% *  3.2159% (1.00  1.00   0.70   0.11) =   2.115%  kept
          QD1   ILE   19 - HZ3   TRP   27   8.50 +/- 1.92   4.461% *  0.0257% (0.28  1.00   0.02   0.02) =   0.005%
          QD2   LEU  104 - HZ3   TRP   27  10.32 +/- 3.95   6.417% *  0.0162% (0.18  1.00   0.02   0.02) =   0.005%
          QG2   VAL   18 - HZ3   TRP   27   9.88 +/- 1.78   1.228% *  0.0671% (0.73  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HZ3   TRP   27  11.41 +/- 2.70   0.841% *  0.0560% (0.61  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HZ3   TRP   27  13.86 +/- 2.87   0.736% *  0.0230% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.885, support = 3.05, residual support = 16.2:
        T QD1   LEU   73 - HZ3   TRP   27   5.12 +/- 2.84  23.285% * 81.3261% (0.90 10.00   3.26  17.39) =  92.241%  kept
        T QD1   LEU   63 - HZ3   TRP   27   9.70 +/- 2.64   8.017% * 11.6752% (0.90 10.00   0.29   0.02) =   4.559%  kept
          QD2   LEU   80 - HZ3   TRP   27  10.96 +/- 6.73   8.795% *  3.8565% (0.53  1.00   1.62   6.92) =   1.652%  kept
          QD2   LEU   63 - HZ3   TRP   27   9.70 +/- 2.59   8.969% *  1.5531% (0.84  1.00   0.41   0.02) =   0.679%  kept
        T QD1   LEU  104 - HZ3   TRP   27  10.38 +/- 4.08  12.458% *  1.0817% (0.31 10.00   0.08   0.02) =   0.656%  kept
          QD1   LEU   80 - HZ3   TRP   27  12.05 +/- 7.09   8.799% *  0.2525% (0.15  1.00   0.36   6.92) =   0.108%  kept
          QD2   LEU  115 - HZ3   TRP   27  13.41 +/- 3.04   7.709% *  0.2157% (0.57  1.00   0.08   0.02) =   0.081%
          QG2   VAL   41 - HZ3   TRP   27   5.94 +/- 2.60  16.901% *  0.0252% (0.28  1.00   0.02   0.11) =   0.021%
          QD2   LEU   98 - HZ3   TRP   27   7.51 +/- 2.86   5.067% *  0.0140% (0.15  1.00   0.02   0.02) =   0.003%
    Distance limit 5.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.765, support = 3.29, residual support = 22.9:
        T QD2   LEU   31 - HZ3   TRP   27   3.49 +/- 1.17  69.619% * 99.2438% (0.76 10.00   3.30  22.96) =  99.749%  kept
          QG2   VAL   83 - HZ3   TRP   27  11.34 +/- 6.39  26.296% *  0.6436% (1.00  1.00   0.10   0.02) =   0.244%  kept
          QD1   ILE   89 - HZ3   TRP   27  14.17 +/- 4.30   4.085% *  0.1126% (0.87  1.00   0.02   0.02) =   0.007%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.768, support = 3.47, residual support = 22.6:
          QD2   LEU   31 - HH2   TRP   27   3.63 +/- 1.07  65.973% * 95.8537% (0.76   3.52  22.96) =  98.309%  kept
          QG2   VAL   83 - HH2   TRP   27  10.59 +/- 6.83  30.142% *  3.5286% (1.00   0.10   0.02) =   1.653%  kept
          QD1   ILE   89 - HH2   TRP   27  13.32 +/- 4.79   3.885% *  0.6176% (0.87   0.02   0.02) =   0.037%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.936, support = 2.58, residual support = 13.9:
          QD1   LEU   73 - HH2   TRP   27   6.24 +/- 2.53  15.198% * 62.4919% (1.00   3.13  17.39) =  74.642%  kept
          QD2   LEU   80 - HH2   TRP   27  11.07 +/- 6.62   7.774% * 22.5129% (0.76   1.47   6.92) =  13.755%  kept
          QD1   LEU   63 - HH2   TRP   27   9.98 +/- 2.67   8.892% *  8.1873% (1.00   0.41   0.02) =   5.722%  kept
          QD2   LEU   63 - HH2   TRP   27  10.14 +/- 2.67   9.493% *  3.4844% (0.61   0.29   0.02) =   2.600%  kept
          QG2   VAL   41 - HH2   TRP   27   6.45 +/- 2.38  15.607% *  0.9235% (0.14   0.34   0.11) =   1.133%  kept
          QD1   LEU  104 - HH2   TRP   27  10.08 +/- 4.07  15.827% *  0.8137% (0.53   0.08   0.02) =   1.012%  kept
          QD2   LEU  115 - HH2   TRP   27  13.21 +/- 2.84   7.172% *  1.3461% (0.80   0.08   0.02) =   0.759%  kept
          QG1   VAL   83 - HH2   TRP   27  10.68 +/- 7.31  20.038% *  0.2403% (0.15   0.08   0.02) =   0.379%  kept
    Distance limit 5.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.29, residual support = 106.7:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.29 106.70) = 100.000%  kept
    Distance limit 4.15 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 = 0.892, support = 2.14, residual support = 40.2:
          HD21  ASN   28 - HZ2   TRP   27   5.15 +/- 1.01  46.518% * 74.4998% (0.87   2.55  50.38) =  77.375%  kept
          HZ2   TRP   87 - HZ2   TRP   27  13.17 +/-10.21  40.752% * 24.7518% (0.98   0.75   5.62) =  22.521%  kept
          QE    PHE   60 - HZ2   TRP   27  12.18 +/- 3.04   8.722% *  0.4626% (0.69   0.02   0.02) =   0.090%
          HN    LEU   63 - HZ2   TRP   27  15.08 +/- 2.84   3.106% *  0.1679% (0.25   0.02   0.02) =   0.012%
          HN    ILE   56 - HZ2   TRP   27  19.54 +/- 2.45   0.902% *  0.1179% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.8, residual support = 106.7:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.80 106.70) = 100.000%  kept
    Distance limit 5.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 5.62:
          HE1   TRP   87 - HZ2   TRP   27  12.94 +/- 9.74 100.000% *100.0000% (0.92   2.00   5.62) = 100.000%  kept
    Distance limit 5.13 A violated in 11 structures by 8.35 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.646, support = 2.96, residual support = 15.7:
        T QD2   LEU   31 - HZ2   TRP   27   3.48 +/- 0.70  58.272% * 52.9508% (0.49 10.00   4.23  22.96) =  61.115%  kept
        T QG2   VAL   43 - HZ2   TRP   27   5.95 +/- 3.90  41.728% * 47.0492% (0.90 10.00   0.96   4.40) =  38.885%  kept
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.903, support = 2.58, residual support = 10.1:
        T QD1   ILE   89 - QD    PHE   45   4.62 +/- 2.59  51.635% * 91.0538% (0.90 10.00   2.64  10.62) =  93.433%  kept
          QG2   VAL   83 - QD    PHE   45   5.23 +/- 1.75  37.154% *  8.8725% (1.00  1.00   1.75   2.98) =   6.551%  kept
          QD2   LEU   31 - QD    PHE   45  10.56 +/- 2.59  11.212% *  0.0737% (0.73  1.00   0.02   0.02) =   0.016%
    Distance limit 4.46 A violated in 2 structures by 0.37 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.971, support = 2.85, residual support = 7.33:
          QD1   ILE   89 - QE    PHE   45   4.88 +/- 2.95  44.520% * 54.9777% (0.97   3.12  10.62) =  56.977%  kept
          QG2   VAL   83 - QE    PHE   45   4.68 +/- 2.28  41.183% * 44.8005% (0.98   2.50   2.98) =  42.949%  kept
          QD2   LEU   31 - QE    PHE   45   9.56 +/- 3.12  14.296% *  0.2218% (0.61   0.02   0.02) =   0.074%
    Distance limit 4.37 A violated in 2 structures by 0.47 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.12, residual support = 18.0:
        T QG1   VAL   75 - QD    PHE   45   2.58 +/- 0.94  86.326% * 99.9034% (1.00 10.00   3.12  18.05) =  99.985%  kept
          QD1   LEU  115 - QD    PHE   45   8.36 +/- 1.44  13.674% *  0.0966% (0.97  1.00   0.02   0.02) =   0.015%
    Distance limit 4.69 A violated in 0 structures by 0.06 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 2.14, residual support = 18.0:
        T HB    VAL   75 - QD    PHE   45   4.49 +/- 1.48  55.234% * 98.5335% (0.99 10.00   2.14  18.05) =  99.785%  kept
          HG3   LYS+  74 - QD    PHE   45   9.39 +/- 0.97   8.006% *  1.2461% (0.38  1.00   0.67   0.02) =   0.183%  kept
          QG2   ILE  103 - QD    PHE   45   8.75 +/- 1.01  12.495% *  0.0484% (0.49  1.00   0.02   0.02) =   0.011%
          QD2   LEU   40 - QD    PHE   45  10.43 +/- 0.85   7.943% *  0.0643% (0.65  1.00   0.02   0.02) =   0.009%
          QD1   LEU   67 - QD    PHE   45   9.53 +/- 1.58   6.460% *  0.0603% (0.61  1.00   0.02   0.02) =   0.007%
          QD1   ILE  119 - QD    PHE   45  10.94 +/- 1.45   5.300% *  0.0339% (0.34  1.00   0.02   0.02) =   0.003%
          HB2   LEU  104 - QD    PHE   45  12.35 +/- 1.79   4.562% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.86 A violated in 3 structures by 0.42 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.615, support = 3.25, residual support = 11.5:
        T QG2   THR   77 - QD    PHE   45   2.82 +/- 0.56  56.054% * 74.6671% (0.65 10.00   3.16  11.00) =  92.356%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.79 +/- 0.18  14.497% * 22.8419% (0.20 10.00   4.51  18.06) =   7.307%  kept
          QB    ALA   88 - QD    PHE   45   8.90 +/- 2.58   6.874% *  2.0756% (0.97  1.00   0.37   0.02) =   0.315%  kept
          HB3   LEU   80 - QD    PHE   45   8.13 +/- 3.08  18.673% *  0.0433% (0.38  1.00   0.02   0.02) =   0.018%
          HB2   LEU   63 - QD    PHE   45  10.67 +/- 2.80   1.974% *  0.0321% (0.28  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD    PHE   45  13.54 +/- 1.79   0.818% *  0.0700% (0.61  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    PHE   45  16.19 +/- 0.84   0.358% *  0.1001% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   45  14.64 +/- 3.09   0.573% *  0.0607% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  20.12 +/- 0.78   0.179% *  0.1092% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.753, support = 0.748, residual support = 25.7:
          QG2   THR   94 - QD    PHE   45   3.30 +/- 0.46  73.334% * 67.1270% (0.80   0.75  27.37) =  90.436%  kept
          HG12  ILE   89 - QD    PHE   45   6.66 +/- 2.44  19.633% * 25.8744% (0.31   0.75  10.62) =   9.333%  kept
          HD2   LYS+ 112 - QD    PHE   45  12.59 +/- 2.60   2.222% *  2.2355% (1.00   0.02   0.02) =   0.091%
          HB3   LYS+ 112 - QD    PHE   45  12.69 +/- 2.10   2.118% *  1.7084% (0.76   0.02   0.02) =   0.066%
          HB3   LEU   71 - QD    PHE   45  14.06 +/- 1.63   1.279% *  2.2157% (0.99   0.02   0.02) =   0.052%
          HG3   LYS+ 111 - QD    PHE   45  13.29 +/- 1.49   1.412% *  0.8390% (0.38   0.02   0.02) =   0.022%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.46, residual support = 18.0:
        T QG1   VAL   75 - QE    PHE   45   3.23 +/- 0.82  89.060% * 99.9191% (0.90 10.00   2.46  18.05) =  99.990%  kept
          QD1   LEU  115 - QE    PHE   45   9.44 +/- 1.39  10.940% *  0.0809% (0.73  1.00   0.02   0.02) =   0.010%
    Distance limit 5.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.596, support = 0.718, residual support = 10.2:
          HB    ILE   89 - QE    PHE   45   6.59 +/- 3.53  25.700% * 94.4406% (0.61   0.75  10.62) =  95.586%  kept
          HB    VAL   43 - QE    PHE   45   2.82 +/- 0.96  67.211% *  1.5584% (0.38   0.02   0.02) =   4.125%  kept
          QD    LYS+  81 - QE    PHE   45  11.04 +/- 1.85   3.104% *  1.2816% (0.31   0.02   0.02) =   0.157%  kept
          QG1   ILE   56 - QE    PHE   45  10.53 +/- 1.05   2.042% *  0.6407% (0.15   0.02   0.02) =   0.052%
          HB2   LYS+  99 - QE    PHE   45  13.09 +/- 0.87   1.073% *  1.1545% (0.28   0.02   0.02) =   0.049%
          HB3   LYS+  99 - QE    PHE   45  13.54 +/- 1.07   0.871% *  0.9244% (0.22   0.02   0.02) =   0.032%
    Distance limit 5.16 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 = 8.43:
          HB3   MET   96 - QE    PHE   45   3.54 +/- 1.01  87.339% * 93.6185% (0.45   2.00   8.45) =  99.799%  kept
          HB    VAL   18 - QE    PHE   45  15.53 +/- 5.88   3.023% *  1.4352% (0.69   0.02   0.02) =   0.053%
          HB2   LEU   40 - QE    PHE   45  13.47 +/- 0.79   2.420% *  1.7452% (0.84   0.02   0.02) =   0.052%
          HB2   LEU   67 - QE    PHE   45  12.90 +/- 1.91   4.631% *  0.8590% (0.41   0.02   0.02) =   0.049%
          HB3   ARG+  54 - QE    PHE   45  15.60 +/- 1.61   1.884% *  1.9287% (0.92   0.02   0.02) =   0.044%
          HB3   GLU-  14 - QE    PHE   45  21.16 +/- 3.01   0.702% *  0.4135% (0.20   0.02   0.02) =   0.004%
    Distance limit 5.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.239, support = 1.82, residual support = 8.18:
        T HB2   MET   96 - QE    PHE   45   3.79 +/- 0.63  59.101% * 79.0563% (0.22 10.00   1.84   8.45) =  96.523%  kept
          HB3   ASP-  76 - QE    PHE   45   8.57 +/- 1.31   8.820% * 16.9474% (0.73  1.00   1.21   0.68) =   3.088%  kept
          QG    GLN   90 - QE    PHE   45   9.69 +/- 1.53   4.697% *  1.7424% (0.22  1.00   0.41   0.02) =   0.169%  kept
          HG3   MET   92 - QE    PHE   45   8.69 +/- 2.18  15.503% *  0.3722% (0.97  1.00   0.02   0.02) =   0.119%  kept
        T HB3   PHE   72 - QE    PHE   45  10.16 +/- 1.16   3.714% *  0.6754% (0.18 10.00   0.02   0.02) =   0.052%
          HB2   ASP- 105 - QE    PHE   45  10.37 +/- 1.37   4.040% *  0.3560% (0.92  1.00   0.02   0.02) =   0.030%
          HB2   GLU-  29 - QE    PHE   45  16.62 +/- 3.34   1.003% *  0.3458% (0.90  1.00   0.02   0.02) =   0.007%
          HG12  ILE  119 - QE    PHE   45  13.12 +/- 1.78   1.602% *  0.2029% (0.53  1.00   0.02   0.02) =   0.007%
          HG2   GLU- 100 - QE    PHE   45  16.50 +/- 1.69   0.834% *  0.2495% (0.65  1.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - QE    PHE   45  18.66 +/- 3.05   0.686% *  0.0522% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.0:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  84.519% * 99.8696% (0.53  10.0 10.00   1.00  80.00) =  99.976%  kept
          HZ3   TRP   27 - QE    PHE   45   8.70 +/- 4.13  15.481% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.024%
    Distance limit 4.16 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 = 3.61, residual support = 80.0:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  98.981% * 99.6976% (0.65  10.0   3.61  80.00) =  99.999%  kept
          HD2   HIS  122 - QE    PHE   45  13.91 +/- 2.60   0.504% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - QE    PHE   45  17.49 +/- 2.23   0.325% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  20.13 +/- 4.41   0.191% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 1.99, residual support = 8.43:
          HB3   MET   96 - QD    PHE   45   5.07 +/- 1.10  71.104% * 96.5062% (0.80   2.00   8.45) =  99.784%  kept
          HB2   LEU   40 - QD    PHE   45  14.27 +/- 0.51   4.143% *  1.2059% (1.00   0.02   0.02) =   0.073%
          HB3   ARG+  54 - QD    PHE   45  13.60 +/- 1.52   5.164% *  0.7314% (0.61   0.02   0.02) =   0.055%
          HB    VAL   18 - QD    PHE   45  15.01 +/- 6.00   7.859% *  0.4113% (0.34   0.02   0.02) =   0.047%
          HB2   LEU   67 - QD    PHE   45  12.42 +/- 2.08   9.746% *  0.1861% (0.15   0.02   0.02) =   0.026%
          HB3   GLU-  14 - QD    PHE   45  21.37 +/- 2.87   1.359% *  0.5870% (0.49   0.02   0.02) =   0.012%
          HG3   MET   11 - QD    PHE   45  27.38 +/- 2.65   0.623% *  0.3722% (0.31   0.02   0.02) =   0.003%
    Distance limit 5.45 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 = 0.868, support = 1.89, residual support = 6.27:
          HB2   MET   96 - QD    PHE   45   5.38 +/- 0.66  42.025% * 49.8928% (0.87   2.00   8.45) =  72.155%  kept
          HB3   ASP-  76 - QD    PHE   45   7.78 +/- 1.05  16.062% * 45.8144% (0.92   1.73   0.68) =  25.324%  kept
          HG3   MET   92 - QD    PHE   45   7.14 +/- 1.96  27.018% *  2.5429% (0.34   0.26   0.02) =   2.364%  kept
          HB2   ASP- 105 - QD    PHE   45  11.08 +/- 1.09   4.980% *  0.4177% (0.73   0.02   0.02) =   0.072%
          HB    VAL   70 - QD    PHE   45  12.20 +/- 1.56   3.767% *  0.2579% (0.45   0.02   0.02) =   0.033%
          HG2   GLU- 100 - QD    PHE   45  17.98 +/- 1.50   1.145% *  0.5551% (0.97   0.02   0.02) =   0.022%
          QG    GLN   17 - QD    PHE   45  16.77 +/- 4.34   2.018% *  0.2159% (0.38   0.02   0.02) =   0.015%
          HB2   GLU-  25 - QD    PHE   45  17.73 +/- 3.46   1.516% *  0.1599% (0.28   0.02   0.02) =   0.008%
          HB2   GLU-  29 - QD    PHE   45  17.62 +/- 2.79   1.470% *  0.1434% (0.25   0.02   0.02) =   0.007%
    Distance limit 5.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.04, residual support = 80.0:
      O T HB3   PHE   45 - QD    PHE   45   2.50 +/- 0.22  90.647% * 99.5701% (0.80  10.0 10.00   5.04  80.00) =  99.992%  kept
          HB3   ASP-  86 - QD    PHE   45   9.49 +/- 2.04   2.492% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 112 - QD    PHE   45  11.23 +/- 2.98   2.147% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - QD    PHE   45   8.17 +/- 0.90   2.899% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - QD    PHE   45  12.07 +/- 2.97   1.539% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QD    PHE   45  18.64 +/- 3.13   0.276% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.33, residual support = 80.0:
      O T HB2   PHE   45 - QD    PHE   45   2.53 +/- 0.18  97.772% * 99.8423% (0.97  10.0 10.00   4.33  80.00) =  99.998%  kept
          QE    LYS+ 111 - QD    PHE   45  12.71 +/- 1.56   0.860% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    PHE   45  12.20 +/- 3.28   1.368% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.56 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 = 0.684, support = 2.94, residual support = 27.2:
          HB    THR   94 - QD    PHE   45   2.86 +/- 0.51  73.645% * 91.5914% (0.69   2.96  27.37) =  99.454%  kept
          HA    ALA   88 - QD    PHE   45   9.79 +/- 2.75  10.089% *  2.5927% (0.15   0.37   0.02) =   0.386%  kept
          HA    LYS+  65 - QD    PHE   45  12.38 +/- 3.27   6.196% *  0.8088% (0.90   0.02   0.02) =   0.074%
          QB    SER   85 - QD    PHE   45  10.36 +/- 1.82   2.263% *  0.8531% (0.95   0.02   0.02) =   0.028%
          QB    SER   48 - QD    PHE   45   9.92 +/- 0.57   2.378% *  0.7221% (0.80   0.02   0.02) =   0.025%
          HD2   PRO   52 - QD    PHE   45  11.19 +/- 1.51   1.827% *  0.2783% (0.31   0.02   0.02) =   0.007%
          HA    ALA  120 - QD    PHE   45  16.97 +/- 1.94   0.547% *  0.8703% (0.97   0.02   0.02) =   0.007%
          HA2   GLY   51 - QD    PHE   45  13.61 +/- 1.27   0.873% *  0.4745% (0.53   0.02   0.02) =   0.006%
          HA2   GLY   16 - QD    PHE   45  20.61 +/- 4.33   0.322% *  0.8531% (0.95   0.02   0.02) =   0.004%
          HA    LYS+ 121 - QD    PHE   45  16.97 +/- 2.21   0.477% *  0.5470% (0.61   0.02   0.02) =   0.004%
          QB    SER  117 - QD    PHE   45  13.21 +/- 1.26   0.929% *  0.2507% (0.28   0.02   0.02) =   0.003%
          HA    GLN   32 - QD    PHE   45  17.80 +/- 2.60   0.454% *  0.1579% (0.18   0.02   0.02) =   0.001%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.336, support = 4.21, residual support = 17.6:
          HA    ASP-  44 - QD    PHE   45   3.08 +/- 0.59  59.076% * 81.8688% (0.34   4.46  18.06) =  93.018%  kept
          HB    THR   77 - QD    PHE   45   4.70 +/- 0.99  27.542% * 12.9835% (0.28   0.87  11.00) =   6.877%  kept
          HA    ASP-  86 - QD    PHE   45  11.11 +/- 2.19   1.979% *  1.0548% (0.98   0.02   0.02) =   0.040%
          HA    TRP   87 - QD    PHE   45   9.44 +/- 2.84   5.326% *  0.1660% (0.15   0.02   0.02) =   0.017%
          HA    SER   85 - QD    PHE   45  10.39 +/- 2.15   2.938% *  0.2992% (0.28   0.02   0.02) =   0.017%
          HA    LEU  104 - QD    PHE   45  13.54 +/- 1.55   0.848% *  0.8988% (0.84   0.02   0.02) =   0.015%
          HA    ILE  103 - QD    PHE   45  11.12 +/- 1.16   1.800% *  0.2130% (0.20   0.02   0.02) =   0.007%
          HA    GLU-  14 - QD    PHE   45  21.57 +/- 3.10   0.241% *  1.0737% (1.00   0.02   0.02) =   0.005%
          HA    ALA   12 - QD    PHE   45  25.33 +/- 1.81   0.124% *  1.0385% (0.97   0.02   0.02) =   0.002%
          HA    MET   11 - QD    PHE   45  26.96 +/- 2.77   0.126% *  0.4039% (0.38   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.04, residual support = 79.9:
          HA    PHE   45 - QD    PHE   45   2.84 +/- 0.44  89.478% * 96.8435% (0.25   5.04  80.00) =  99.926%  kept
          HA    MET   92 - QD    PHE   45   7.02 +/- 1.04   7.958% *  0.3839% (0.25   0.02   0.02) =   0.035%
          HA    VAL   41 - QD    PHE   45  10.70 +/- 0.50   1.959% *  1.2329% (0.80   0.02   0.02) =   0.028%
          HA    HIS  122 - QD    PHE   45  16.58 +/- 2.55   0.605% *  1.5397% (1.00   0.02   0.02) =   0.011%
    Distance limit 5.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.44, residual support = 70.9:
          HN    PHE   45 - QD    PHE   45   2.18 +/- 0.62  80.345% * 56.2330% (0.45   5.64  80.00) =  85.251%  kept
          HN    ASP-  44 - QD    PHE   45   4.19 +/- 0.46  18.065% * 43.2446% (0.45   4.33  18.06) =  14.741%  kept
          HN    ALA  110 - QD    PHE   45  10.46 +/- 1.97   1.137% *  0.3058% (0.69   0.02   0.02) =   0.007%
          HN    GLU-  25 - QD    PHE   45  15.56 +/- 3.59   0.454% *  0.2167% (0.49   0.02   0.02) =   0.002%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.0:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  98.615% * 99.7606% (0.98  10.0   1.00  80.00) =  99.998%  kept
          QD    PHE   72 - HZ    PHE   45   9.86 +/- 1.23   1.237% *  0.1766% (0.87   1.0   0.02   0.02) =   0.002%
          HD22  ASN   69 - HZ    PHE   45  19.71 +/- 1.66   0.147% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.6, support = 4.43, residual support = 55.5:
          HN    TRP   49 - HD1   TRP   49   2.42 +/- 0.81  75.457% * 33.6944% (0.38   4.88  85.57) =  62.805%  kept
          HN    CYS   50 - HD1   TRP   49   4.13 +/- 0.97  22.779% * 66.0823% (0.98   3.66   4.82) =  37.185%  kept
          HN    VAL   83 - HD1   TRP   49  15.20 +/- 2.95   1.763% *  0.2232% (0.61   0.02   0.02) =   0.010%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.31, residual support = 85.6:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.31  85.57) = 100.000%  kept
    Distance limit 4.10 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 = 85.6:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.429% * 99.8040% (0.41  10.0   1.00  85.57) =  99.999%  kept
          QD    PHE   97 - HZ2   TRP   49  17.54 +/- 2.07   0.368% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.80 +/- 3.61   0.203% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 85.6:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  85.57) = 100.000%  kept
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 85.6:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.670% * 99.8708% (1.00  10.0   1.00  85.57) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  22.25 +/- 3.77   0.330% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.92, support = 1.49, residual support = 6.46:
          QG2   VAL   83 - HZ    PHE   45   5.61 +/- 2.89  46.097% * 48.4717% (0.99   1.34   2.98) =  54.171%  kept
          QD1   ILE   89 - HZ    PHE   45   6.58 +/- 3.09  36.911% * 50.9434% (0.84   1.67  10.62) =  45.588%  kept
          QD2   LEU   31 - HZ    PHE   45  10.50 +/- 3.86  16.992% *  0.5849% (0.80   0.02   0.02) =   0.241%  kept
    Distance limit 5.29 A violated in 3 structures by 0.45 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.74, residual support = 85.6:
      O T HB2   TRP   49 - HD1   TRP   49   3.82 +/- 0.21  87.690% * 99.5547% (0.65  10.0 10.00   4.74  85.57) =  99.991%  kept
          HA    ALA   84 - HD1   TRP   49  12.45 +/- 3.04   5.558% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   75 - HD1   TRP   49  14.42 +/- 1.78   1.898% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - HD1   TRP   49  18.27 +/- 4.82   2.444% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HD1   TRP   49  21.95 +/- 2.75   0.610% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - HD1   TRP   49  16.42 +/- 2.21   1.338% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - HD1   TRP   49  23.42 +/- 2.53   0.462% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.74, residual support = 85.6:
      O T HB3   TRP   49 - HD1   TRP   49   2.87 +/- 0.15  99.408% * 99.9191% (0.90  10.0 10.00   4.74  85.57) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  16.41 +/- 1.60   0.592% *  0.0809% (0.73   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 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.85, residual support = 16.2:
          QB    ALA   47 - HD1   TRP   49   2.68 +/- 0.60  88.004% * 99.0457% (0.84   3.85  16.17) =  99.965%  kept
          HG2   LYS+ 112 - HD1   TRP   49  16.13 +/- 3.99   9.471% *  0.2311% (0.38   0.02   0.02) =   0.025%
          QB    ALA   64 - HD1   TRP   49  14.83 +/- 2.29   1.741% *  0.2761% (0.45   0.02   0.02) =   0.006%
          QG1   VAL   42 - HD1   TRP   49  15.44 +/- 1.49   0.783% *  0.4471% (0.73   0.02   0.02) =   0.004%
    Distance limit 5.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.857, support = 0.723, residual support = 3.24:
          HB3   PRO   52 - HZ2   TRP   49   7.18 +/- 3.69  36.152% * 69.1350% (0.87  1.00   0.75   3.36) =  96.377%  kept
        T HG    LEU  123 - HZ2   TRP   49  23.60 +/- 5.40   1.968% * 18.4360% (0.87 10.00   0.02   0.02) =   1.399%  kept
          HB3   GLN   90 - HZ2   TRP   49   9.74 +/- 5.36  23.134% *  0.9529% (0.45  1.00   0.02   0.02) =   0.850%  kept
          QB    LYS+  66 - HZ2   TRP   49  17.56 +/- 5.93  18.064% *  0.5909% (0.28  1.00   0.02   0.02) =   0.412%  kept
          HG2   ARG+  54 - HZ2   TRP   49  11.15 +/- 1.40   6.624% *  1.4599% (0.69  1.00   0.02   0.02) =   0.373%  kept
          HG3   PRO   68 - HZ2   TRP   49  23.78 +/- 6.28   2.612% *  1.6243% (0.76  1.00   0.02   0.02) =   0.164%  kept
          QB    LYS+  81 - HZ2   TRP   49  13.86 +/- 3.12   3.834% *  0.7977% (0.38  1.00   0.02   0.02) =   0.118%  kept
          QB    LYS+ 106 - HZ2   TRP   49  16.56 +/- 2.54   2.914% *  0.7250% (0.34  1.00   0.02   0.02) =   0.081%
          HB3   ASP- 105 - HZ2   TRP   49  21.38 +/- 2.93   1.332% *  1.3749% (0.65  1.00   0.02   0.02) =   0.071%
          HB    ILE  103 - HZ2   TRP   49  22.70 +/- 1.93   0.784% *  1.5433% (0.73  1.00   0.02   0.02) =   0.047%
          HG12  ILE  103 - HZ2   TRP   49  21.62 +/- 1.85   0.852% *  1.2891% (0.61  1.00   0.02   0.02) =   0.042%
          HB    VAL   41 - HZ2   TRP   49  21.76 +/- 2.01   1.137% *  0.9529% (0.45  1.00   0.02   0.02) =   0.042%
          QB    LYS+  33 - HZ2   TRP   49  26.07 +/- 2.63   0.593% *  1.1182% (0.53  1.00   0.02   0.02) =   0.026%
    Distance limit 5.08 A violated in 0 structures by 0.40 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 2.02, residual support = 16.1:
          QB    ALA   47 - HZ2   TRP   49   3.98 +/- 1.01  67.064% * 98.0010% (0.69   2.03  16.17) =  99.699%  kept
          QB    ALA   64 - HZ2   TRP   49  14.41 +/- 3.10  14.857% *  0.8526% (0.61   0.02   0.02) =   0.192%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  13.56 +/- 3.99  16.139% *  0.3505% (0.25   0.02   0.02) =   0.086%
          QG1   VAL   42 - HZ2   TRP   49  14.36 +/- 2.06   1.940% *  0.7959% (0.57   0.02   0.02) =   0.023%
    Distance limit 5.00 A violated in 1 structures by 0.12 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.357, support = 0.716, residual support = 3.21:
          HG2   PRO   52 - HH2   TRP   49   5.44 +/- 3.95  45.186% * 73.0242% (0.34   0.75   3.36) =  95.406%  kept
          HG2   MET   92 - HH2   TRP   49   9.30 +/- 4.54  13.727% *  4.9520% (0.87   0.02   0.02) =   1.965%  kept
          HB2   GLU-  79 - HH2   TRP   49  16.82 +/- 3.39  10.135% *  4.1454% (0.73   0.02   0.02) =   1.215%  kept
          HB2   ASP-  44 - HH2   TRP   49  14.25 +/- 2.46  13.973% *  0.9998% (0.18   0.02   0.02) =   0.404%  kept
          QG    GLU- 114 - HH2   TRP   49  15.05 +/- 2.57   2.703% *  4.5712% (0.80   0.02   0.02) =   0.357%  kept
          QG    GLU-  15 - HH2   TRP   49  27.17 +/- 6.05   5.503% *  1.4235% (0.25   0.02   0.02) =   0.227%  kept
          QB    MET   11 - HH2   TRP   49  32.72 +/- 5.29   1.251% *  3.9214% (0.69   0.02   0.02) =   0.142%  kept
          QG    GLU-  14 - HH2   TRP   49  26.58 +/- 5.22   3.964% *  0.8808% (0.15   0.02   0.02) =   0.101%  kept
          HG3   GLU-  25 - HH2   TRP   49  28.39 +/- 4.34   2.950% *  1.1298% (0.20   0.02   0.02) =   0.096%
          HG3   GLU-  36 - HH2   TRP   49  34.57 +/- 3.59   0.607% *  4.9520% (0.87   0.02   0.02) =   0.087%
    Distance limit 5.41 A violated in 3 structures by 0.53 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.865, support = 1.99, residual support = 3.34:
          HB3   PRO   52 - HH2   TRP   49   5.86 +/- 4.24  47.770% * 92.8146% (0.87   2.00   3.36) =  99.376%  kept
          HG    LEU  123 - HH2   TRP   49  23.14 +/- 5.83  11.181% *  0.9281% (0.87   0.02   0.02) =   0.233%  kept
          QB    LYS+  66 - HH2   TRP   49  17.25 +/- 6.58  21.071% *  0.2975% (0.28   0.02   0.02) =   0.141%  kept
          HB3   GLN   90 - HH2   TRP   49  11.60 +/- 5.18  10.486% *  0.4797% (0.45   0.02   0.02) =   0.113%  kept
          HG2   ARG+  54 - HH2   TRP   49   9.98 +/- 1.46   4.006% *  0.7350% (0.69   0.02   0.02) =   0.066%
          HG3   PRO   68 - HH2   TRP   49  23.66 +/- 7.06   1.640% *  0.8177% (0.76   0.02   0.02) =   0.030%
          QB    LYS+  81 - HH2   TRP   49  15.64 +/- 2.99   1.344% *  0.4016% (0.38   0.02   0.02) =   0.012%
          HB3   ASP- 105 - HH2   TRP   49  22.06 +/- 2.86   0.456% *  0.6922% (0.65   0.02   0.02) =   0.007%
          QB    LYS+ 106 - HH2   TRP   49  17.46 +/- 2.34   0.828% *  0.3650% (0.34   0.02   0.02) =   0.007%
          HB    ILE  103 - HH2   TRP   49  23.97 +/- 1.81   0.281% *  0.7770% (0.73   0.02   0.02) =   0.005%
          HG12  ILE  103 - HH2   TRP   49  22.93 +/- 1.76   0.309% *  0.6490% (0.61   0.02   0.02) =   0.004%
          HB    VAL   41 - HH2   TRP   49  22.79 +/- 2.31   0.406% *  0.4797% (0.45   0.02   0.02) =   0.004%
          QB    LYS+  33 - HH2   TRP   49  27.05 +/- 3.01   0.222% *  0.5629% (0.53   0.02   0.02) =   0.003%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.257, support = 2.38, residual support = 20.5:
      O   QB    PHE   55 - QD    PHE   55   2.14 +/- 0.01  87.310% * 72.4535% (0.25  10.0   2.37  20.82) =  97.953%  kept
          HD2   ARG+  54 - QD    PHE   55   6.76 +/- 1.04   4.863% * 25.1816% (0.61   1.0   2.86   4.51) =   1.896%  kept
          HB3   CYS   53 - QD    PHE   55   7.31 +/- 1.31   4.307% *  2.1761% (0.53   1.0   0.28   0.02) =   0.145%  kept
          HD3   PRO   93 - QD    PHE   55   9.08 +/- 3.65   3.331% *  0.0991% (0.34   1.0   0.02   0.02) =   0.005%
          HD3   PRO   68 - QD    PHE   55  17.70 +/- 2.09   0.189% *  0.0897% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.856, support = 2.01, residual support = 18.3:
          HA    PHE   55 - QD    PHE   55   3.24 +/- 0.26  75.793% * 61.7648% (0.84   2.14  20.82) =  87.340%  kept
          HA    ALA  110 - QD    PHE   55   9.60 +/- 4.56  18.293% * 37.0089% (1.00   1.08   0.62) =  12.631%  kept
          HA    GLN   90 - QD    PHE   55  16.24 +/- 3.49   0.980% *  0.6655% (0.97   0.02   0.02) =   0.012%
          HA    ALA   91 - QD    PHE   55  13.37 +/- 3.45   2.660% *  0.1535% (0.22   0.02   0.02) =   0.008%
          HA    VAL  107 - QD    PHE   55  13.13 +/- 2.30   1.559% *  0.2352% (0.34   0.02   0.02) =   0.007%
          HA    VAL   42 - QD    PHE   55  16.36 +/- 1.31   0.715% *  0.1720% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.91 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 = 0.711, support = 0.85, residual support = 0.702:
          QB    ALA  110 - QD    PHE   55   8.07 +/- 3.82  26.183% * 38.1377% (0.80  1.00   0.83   0.62) =  54.764%  kept
          HB3   LEU  115 - QD    PHE   55   8.49 +/- 1.88  16.898% * 25.6378% (0.31  1.00   1.45   1.50) =  23.760%  kept
          QB    ALA   61 - QD    PHE   55   9.20 +/- 1.45  16.353% * 17.1050% (0.97  1.00   0.31   0.02) =  15.341%  kept
        T QG    LYS+  66 - QD    PHE   55  13.89 +/- 2.27   7.965% * 10.8137% (0.95 10.00   0.02   0.02) =   4.724%  kept
        T HG    LEU   67 - QD    PHE   55  16.87 +/- 2.09   3.410% *  2.5450% (0.22 10.00   0.02   0.02) =   0.476%  kept
          HG    LEU   73 - QD    PHE   55  18.08 +/- 4.62   5.043% *  0.9154% (0.80  1.00   0.02   0.02) =   0.253%  kept
          HG12  ILE   19 - QD    PHE   55  20.92 +/- 4.20   5.272% *  0.8301% (0.73  1.00   0.02   0.02) =   0.240%  kept
          HB3   LEU   67 - QD    PHE   55  17.11 +/- 1.62   2.511% *  1.1431% (1.00  1.00   0.02   0.02) =   0.157%  kept
          HD3   LYS+ 121 - QD    PHE   55  16.32 +/- 3.01   8.454% *  0.2262% (0.20  1.00   0.02   0.02) =   0.105%  kept
          HG    LEU   80 - QD    PHE   55  20.87 +/- 3.68   1.004% *  0.9548% (0.84  1.00   0.02   0.02) =   0.053%
          HG    LEU   40 - QD    PHE   55  18.86 +/- 2.24   2.166% *  0.3528% (0.31  1.00   0.02   0.02) =   0.042%
          HG2   LYS+ 102 - QD    PHE   55  25.05 +/- 1.99   0.743% *  0.7852% (0.69  1.00   0.02   0.02) =   0.032%
          HB3   LYS+  74 - QD    PHE   55  17.07 +/- 3.18   2.875% *  0.2002% (0.18  1.00   0.02   0.02) =   0.032%
          HB2   LEU   80 - QD    PHE   55  19.80 +/- 3.42   1.121% *  0.3528% (0.31  1.00   0.02   0.02) =   0.022%
    Distance limit 4.80 A violated in 7 structures by 1.13 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 0.849, residual support = 1.44:
          QD2   LEU  115 - QD    PHE   55   6.56 +/- 1.88  45.731% * 76.6847% (0.87  1.00   0.89   1.50) =  95.801%  kept
        T QD2   LEU   80 - QD    PHE   55  17.56 +/- 2.81   4.462% * 16.6751% (0.84 10.00   0.02   0.02) =   2.033%  kept
          QD1   LEU   63 - QD    PHE   55   9.71 +/- 1.70  19.989% *  1.9919% (1.00  1.00   0.02   0.02) =   1.088%  kept
          QD1   LEU   73 - QD    PHE   55  15.30 +/- 4.05  11.230% *  1.9919% (1.00  1.00   0.02   0.02) =   0.611%  kept
          QD2   LEU   63 - QD    PHE   55  11.06 +/- 1.73  11.619% *  1.0503% (0.53  1.00   0.02   0.02) =   0.333%  kept
          QD1   LEU  104 - QD    PHE   55  17.22 +/- 2.43   2.661% *  1.2109% (0.61  1.00   0.02   0.02) =   0.088%
          QG1   VAL   83 - QD    PHE   55  16.67 +/- 3.21   4.308% *  0.3951% (0.20  1.00   0.02   0.02) =   0.047%
    Distance limit 5.00 A violated in 5 structures by 1.09 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.96, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   5.13 +/- 1.59  87.523% * 72.5341% (0.99   0.02   0.02) =  94.878%  kept
          HB3   TRP   49 - QE    PHE   95  13.77 +/- 2.58  12.477% * 27.4659% (0.38   0.02   0.02) =   5.122%  kept
    Distance limit 4.94 A violated in 6 structures by 0.75 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.632, support = 1.27, residual support = 8.58:
        T QE    LYS+ 112 - QE    PHE   95   5.85 +/- 2.12  26.906% * 80.7528% (0.69 10.00   1.11   4.12) =  83.365%  kept
          HB    VAL  107 - QE    PHE   95   4.61 +/- 0.85  36.837% *  8.4434% (0.28  1.00   2.85  42.47) =  11.934%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.06 +/- 3.09  15.133% *  5.5413% (0.57 10.00   0.09   0.02) =   3.217%  kept
          HB3   PHE   45 - QE    PHE   95   6.79 +/- 1.54  15.978% *  1.6407% (0.69  1.00   0.22   1.89) =   1.006%  kept
          HG3   MET   96 - QE    PHE   95   9.75 +/- 0.48   3.794% *  3.2082% (0.20  1.00   1.52  11.98) =   0.467%  kept
          HB3   ASP-  86 - QE    PHE   95  15.79 +/- 1.74   0.945% *  0.2012% (0.95  1.00   0.02   0.02) =   0.007%
          HG2   GLU-  29 - QE    PHE   95  21.91 +/- 2.26   0.406% *  0.2123% (1.00  1.00   0.02   0.02) =   0.003%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.675, support = 0.525, residual support = 0.361:
          QG1   ILE   56 - QE    PHE   95   4.20 +/- 1.69  40.531% * 16.9241% (0.53   0.51   0.46) =  49.156%  kept
          HD2   LYS+ 111 - QE    PHE   95   8.50 +/- 1.58   9.766% * 32.4818% (0.69   0.75   0.12) =  22.733%  kept
          HB2   LEU   73 - QE    PHE   95  11.91 +/- 3.97  11.137% * 23.4603% (0.92   0.40   0.55) =  18.724%  kept
          QD    LYS+ 106 - QE    PHE   95   9.47 +/- 0.95   4.733% * 23.0643% (1.00   0.37   0.02) =   7.824%  kept
          HG3   PRO   93 - QE    PHE   95   5.92 +/- 1.13  19.818% *  0.4742% (0.38   0.02   0.02) =   0.673%  kept
          HB3   MET   92 - QE    PHE   95   7.68 +/- 1.15   8.557% *  1.0117% (0.80   0.02   0.02) =   0.620%  kept
          QD    LYS+  99 - QE    PHE   95  14.49 +/- 1.19   1.580% *  1.2635% (1.00   0.02   0.02) =   0.143%  kept
          HB2   LEU  123 - QE    PHE   95  13.57 +/- 1.33   1.667% *  0.5194% (0.41   0.02   0.02) =   0.062%
          HB3   LYS+  99 - QE    PHE   95  15.48 +/- 0.72   1.141% *  0.5194% (0.41   0.02   0.02) =   0.042%
          QD    LYS+ 102 - QE    PHE   95  16.08 +/- 1.07   1.069% *  0.2813% (0.22   0.02   0.02) =   0.022%
    Distance limit 5.36 A violated in 0 structures by 0.06 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.618, support = 2.38, residual support = 34.8:
          QG2   VAL  107 - QE    PHE   95   3.18 +/- 0.68  55.097% * 51.8271% (0.69  1.00   2.55  42.47) =  78.051%  kept
          HB3   LYS+ 112 - QE    PHE   95   5.85 +/- 1.99  26.757% * 19.7756% (0.38  1.00   1.78   4.12) =  14.463%  kept
          QG2   THR   94 - QE    PHE   95   5.29 +/- 0.70  14.303% * 18.3954% (0.34  1.00   1.83  14.75) =   7.192%  kept
          HG13  ILE  103 - QE    PHE   95  12.55 +/- 1.25   1.063% *  8.8252% (1.00  1.00   0.30   0.02) =   0.256%  kept
        T QB    ALA   20 - QE    PHE   95  14.27 +/- 2.50   1.036% *  0.9117% (0.15 10.00   0.02   0.02) =   0.026%
          HG2   LYS+ 121 - QE    PHE   95  12.91 +/- 2.24   1.745% *  0.2649% (0.45  1.00   0.02   0.02) =   0.013%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 2.65, residual support = 6.19:
          QD2   LEU  115 - QE    PHE   95   3.77 +/- 1.19  41.440% * 52.8042% (0.87  1.00   3.29   8.17) =  71.579%  kept
          QD1   LEU   73 - QE    PHE   95   9.75 +/- 3.73  18.643% * 24.1318% (1.00  1.00   1.31   0.55) =  14.716%  kept
          QD1   LEU   63 - QE    PHE   95   6.50 +/- 2.91  23.802% * 15.1329% (1.00  1.00   0.82   1.92) =  11.782%  kept
          QD2   LEU   63 - QE    PHE   95   7.57 +/- 2.54  12.054% *  4.5392% (0.53  1.00   0.47   1.92) =   1.790%  kept
        T QD2   LEU   80 - QE    PHE   95  13.28 +/- 2.02   1.166% *  3.0940% (0.84 10.00   0.02   0.02) =   0.118%  kept
          QD1   LEU  104 - QE    PHE   95  11.86 +/- 1.85   1.462% *  0.2247% (0.61  1.00   0.02   0.02) =   0.011%
          QG1   VAL   83 - QE    PHE   95  12.05 +/- 2.04   1.434% *  0.0733% (0.20  1.00   0.02   0.02) =   0.003%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.343, support = 1.49, residual support = 8.12:
        T QD1   LEU  115 - QE    PHE   95   2.86 +/- 1.00  82.753% * 93.1093% (0.34 10.00   1.50   8.17) =  99.309%  kept
          QB    ALA   64 - QE    PHE   95   8.13 +/- 1.12   7.758% *  6.8187% (0.57  1.00   0.66   0.31) =   0.682%  kept
          QG1   VAL   75 - QE    PHE   95   7.42 +/- 1.15   9.489% *  0.0720% (0.20  1.00   0.02   0.02) =   0.009%
    Distance limit 4.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.833, support = 1.11, residual support = 72.2:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  90.804% * 96.1792% (0.84  10.0   1.11  72.40) =  99.664%  kept
          HN    LEU   63 - QD    PHE   60   5.12 +/- 0.56   8.410% *  3.4829% (0.15   1.0   2.17  10.04) =   0.334%  kept
          HD21  ASN   28 - QD    PHE   60  15.62 +/- 3.19   0.443% *  0.1512% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD    PHE   60  16.77 +/- 4.00   0.343% *  0.1867% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.75, residual support = 72.4:
      O T HB3   PHE   60 - QD    PHE   60   2.45 +/- 0.18  91.254% * 99.7227% (0.73  10.0 10.00   3.75  72.40) =  99.997%  kept
          QE    LYS+ 106 - QD    PHE   60  13.57 +/- 2.11   0.875% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - QD    PHE   60   8.72 +/- 1.35   2.566% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    PHE   60  11.45 +/- 2.45   2.806% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    PHE   60  12.99 +/- 3.24   1.888% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.35 +/- 2.94   0.281% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  18.32 +/- 3.63   0.330% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.886, support = 1.82, residual support = 2.98:
          QD1   ILE   56 - QD    PHE   60   4.73 +/- 1.86  50.218% * 32.1531% (0.99  1.00   1.36   4.40) =  51.318%  kept
          QD2   LEU   73 - QD    PHE   60   7.69 +/- 3.07  27.859% * 49.9879% (0.84  1.00   2.50   1.63) =  44.261%  kept
        T QG1   VAL   41 - QD    PHE   60  10.85 +/- 1.23   7.817% * 17.2025% (0.18 10.00   0.41   0.02) =   4.274%  kept
          HG    LEU   31 - QD    PHE   60  13.78 +/- 3.44   7.831% *  0.3283% (0.69  1.00   0.02   0.02) =   0.082%
          HG3   LYS+ 121 - QD    PHE   60  13.82 +/- 1.94   6.275% *  0.3283% (0.69  1.00   0.02   0.02) =   0.065%
    Distance limit 4.50 A violated in 6 structures by 0.71 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.7, residual support = 2.54:
          QB    ALA   64 - QD    PHE   60   4.85 +/- 1.61 100.000% *100.0000% (0.95   1.70   2.54) = 100.000%  kept
    Distance limit 4.43 A violated in 6 structures by 0.91 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   3.38 +/- 0.64  87.699% * 99.3218% (0.97   4.06  62.23) =  99.956%  kept
          HN    LEU  115 - QD    PHE   97   9.10 +/- 1.32   6.757% *  0.4892% (0.97   0.02   0.02) =   0.038%
          HN    ASP- 113 - QD    PHE   97  12.19 +/- 1.65   5.153% *  0.1003% (0.20   0.02   0.02) =   0.006%
          HN    ALA   12 - QD    PHE   97  24.48 +/- 2.95   0.392% *  0.0888% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.24 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 = 0.696, support = 1.41, residual support = 1.7:
          HA    ILE  119 - QD    PHE   97   7.66 +/- 4.45  29.317% * 60.1633% (0.76   1.55   1.48) =  57.624%  kept
          HA    THR  118 - QD    PHE   97   6.96 +/- 4.13  34.164% * 37.5204% (0.61   1.22   2.04) =  41.878%  kept
          HA    VAL   75 - QD    PHE   97  12.64 +/- 1.40   9.262% *  0.5330% (0.53   0.02   0.02) =   0.161%  kept
          HA2   GLY  109 - QD    PHE   97  12.11 +/- 0.79  13.022% *  0.3127% (0.31   0.02   0.02) =   0.133%  kept
          HA    ALA   84 - QD    PHE   97  16.46 +/- 2.87   7.286% *  0.4931% (0.49   0.02   0.02) =   0.117%  kept
          HD3   PRO   58 - QD    PHE   97  13.08 +/- 3.29   5.333% *  0.2817% (0.28   0.02   0.02) =   0.049%
          HB2   TRP   49 - QD    PHE   97  20.94 +/- 1.67   1.616% *  0.6959% (0.69   0.02   0.02) =   0.037%
    Distance limit 4.81 A violated in 6 structures by 1.05 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 61.8:
      O T HB2   PHE   97 - QD    PHE   97   2.49 +/- 0.15  81.656% * 90.0312% (0.90  10.0 10.00   2.44  62.23) =  99.231%  kept
          QE    LYS+ 106 - QD    PHE   97   6.95 +/- 0.97   5.780% *  9.7815% (0.95   1.0  1.00   2.06  11.34) =   0.763%  kept
          QE    LYS+  99 - QD    PHE   97   6.28 +/- 1.35   9.472% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   60 - QD    PHE   97  10.97 +/- 2.55   1.862% *  0.0804% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    PHE   97  13.65 +/- 2.26   1.230% *  0.0871% (0.87   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.2:
      O T HB3   PHE   97 - QD    PHE   97   2.44 +/- 0.16  90.986% * 99.7112% (1.00  10.0 10.00   2.74  62.23) =  99.992%  kept
          HB2   PRO   58 - QD    PHE   97  12.92 +/- 4.51   6.079% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLU- 100 - QD    PHE   97  10.56 +/- 1.04   1.287% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  10.95 +/- 1.33   1.187% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  16.15 +/- 2.63   0.460% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 1.78, residual support = 4.73:
          QG1   VAL  107 - QD    PHE   97   3.89 +/- 0.91  67.570% * 62.3641% (0.84   1.74   5.40) =  83.124%  kept
          HG13  ILE  119 - QD    PHE   97   8.61 +/- 3.54  23.901% * 35.5466% (0.41   2.01   1.48) =  16.759%  kept
          QG1   VAL   24 - QD    PHE   97  14.54 +/- 2.68   3.508% *  0.8603% (1.00   0.02   0.02) =   0.060%
          HD3   LYS+ 112 - QD    PHE   97  13.28 +/- 2.58   2.049% *  0.8433% (0.98   0.02   0.02) =   0.034%
          HB3   LEU   31 - QD    PHE   97  11.52 +/- 1.62   2.972% *  0.3857% (0.45   0.02   0.02) =   0.023%
    Distance limit 4.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 2.88, residual support = 12.2:
          HB2   LEU  104 - QD    PHE   97   4.48 +/- 1.21  55.921% * 55.0672% (0.69   3.30  15.27) =  77.971%  kept
          QD1   ILE  119 - QD    PHE   97   7.96 +/- 2.76  19.753% * 35.8209% (0.95   1.56   1.48) =  17.916%  kept
          QG2   VAL  108 - QD    PHE   97   7.65 +/- 0.63  18.220% *  8.8171% (0.53   0.69   0.02) =   4.068%  kept
          HB    VAL   75 - QD    PHE   97  10.77 +/- 1.59   6.106% *  0.2948% (0.61   0.02   0.02) =   0.046%
    Distance limit 4.70 A violated in 0 structures by 0.21 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.199, support = 1.57, residual support = 2.02:
          QG2   THR  118 - QD    PHE   97   4.51 +/- 3.83  67.193% * 97.8676% (0.20   1.58   2.04) =  98.947%  kept
          QG2   VAL   70 - QD    PHE   97   6.63 +/- 2.17  32.807% *  2.1324% (0.34   0.02   0.02) =   1.053%  kept
    Distance limit 4.87 A violated in 3 structures by 0.66 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.96, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.83 +/- 1.83  77.681% * 85.0969% (1.00   0.02   0.02) =  95.209%  kept
          QB    ALA   47 - QD    PHE   97  13.98 +/- 1.22  22.319% * 14.9031% (0.18   0.02   0.02) =   4.791%  kept
    Distance limit 5.25 A violated in 17 structures by 3.44 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.87, residual support = 28.4:
          HN    LEU  115 - QD    PHE   59   5.13 +/- 0.75  61.746% * 99.0471% (0.97   2.88  28.43) =  99.736%  kept
          HN    PHE   97 - QD    PHE   59   9.74 +/- 2.68  19.741% *  0.6873% (0.97   0.02   0.02) =   0.221%  kept
          HN    ASP- 113 - QD    PHE   59   7.96 +/- 1.07  17.737% *  0.1409% (0.20   0.02   0.02) =   0.041%
          HN    ALA   12 - QD    PHE   59  25.19 +/- 3.82   0.776% *  0.1247% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.46 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 = 0.606, support = 2.95, residual support = 57.3:
          HA    PHE   59 - QD    PHE   59   2.43 +/- 0.54  82.089% * 77.9865% (0.61   3.02  58.35) =  97.242%  kept
          HA    ILE   56 - QD    PHE   59   5.97 +/- 1.05   9.036% * 19.3832% (0.61   0.75  20.23) =   2.660%  kept
          HA    ASP- 113 - QD    PHE   59   7.42 +/- 1.30   5.909% *  0.8503% (1.00   0.02   0.02) =   0.076%
          HA    LEU  123 - QD    PHE   59   9.79 +/- 0.79   1.620% *  0.4148% (0.49   0.02   0.02) =   0.010%
          HA    LYS+  99 - QD    PHE   59  14.48 +/- 2.80   0.783% *  0.6824% (0.80   0.02   0.02) =   0.008%
          HA    ASN   35 - QD    PHE   59  18.76 +/- 2.12   0.272% *  0.5513% (0.65   0.02   0.02) =   0.002%
          HA    TRP   87 - QD    PHE   59  18.48 +/- 2.22   0.292% *  0.1315% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.90 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 = 0.988, support = 2.27, residual support = 20.8:
        T HA    ILE  119 - QD    PHE   59   4.08 +/- 0.67  70.109% * 52.2004% (1.00 10.00   2.35  22.93) =  80.930%  kept
        T HA    THR  118 - QD    PHE   59   6.64 +/- 0.53  18.088% * 47.6566% (0.95 10.00   1.93  11.82) =  19.062%  kept
          HA2   GLY  109 - QD    PHE   59  11.28 +/- 1.28   5.236% *  0.0359% (0.69  1.00   0.02   0.02) =   0.004%
          HA    ALA   84 - QD    PHE   59  16.75 +/- 1.40   1.539% *  0.0454% (0.87  1.00   0.02   0.02) =   0.002%
          HB2   TRP   49 - QD    PHE   59  16.19 +/- 1.55   1.304% *  0.0513% (0.98  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QD    PHE   59  12.43 +/- 1.38   3.725% *  0.0104% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 5.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.72, residual support = 58.3:
      O   HB2   PHE   59 - QD    PHE   59   2.60 +/- 0.19  87.627% * 99.6982% (0.97  10.0   2.72  58.35) =  99.991%  kept
          QB    PHE   55 - QD    PHE   59   8.34 +/- 1.08   3.585% *  0.0789% (0.76   1.0   0.02   0.02) =   0.003%
          HD3   PRO   93 - QD    PHE   59  10.64 +/- 1.78   2.875% *  0.0668% (0.65   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - QD    PHE   59  10.93 +/- 2.26   1.939% *  0.0710% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   CYS   53 - QD    PHE   59   9.19 +/- 1.32   2.752% *  0.0463% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  11.76 +/- 1.64   1.222% *  0.0388% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.15, residual support = 58.4:
      O   HB3   PHE   59 - QD    PHE   59   2.46 +/- 0.14  99.615% * 99.9680% (0.97  10.0   3.15  58.35) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.68 +/- 1.70   0.385% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.886, support = 2.67, residual support = 27.8:
          HB2   PRO   58 - QD    PHE   59   5.58 +/- 1.33  41.046% * 69.0661% (0.99   2.97  39.88) =  69.420%  kept
          HB2   GLN  116 - QD    PHE   59   5.72 +/- 1.36  41.130% * 30.2063% (0.65   1.99   0.44) =  30.423%  kept
          HB3   PHE   97 - QD    PHE   59   9.50 +/- 3.26  16.390% *  0.3760% (0.80   0.02   0.02) =   0.151%  kept
          HB2   GLU- 100 - QD    PHE   59  18.42 +/- 2.92   0.916% *  0.2470% (0.53   0.02   0.02) =   0.006%
          HG3   GLU-  25 - QD    PHE   59  22.88 +/- 3.59   0.517% *  0.1045% (0.22   0.02   0.02) =   0.001%
    Distance limit 5.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.2:
        T QG1   ILE   56 - QD    PHE   59   3.56 +/- 0.59  76.345% * 99.3083% (0.97 10.00   1.97  20.23) =  99.968%  kept
          QD    LYS+ 106 - QD    PHE   59  11.38 +/- 2.33   3.940% *  0.4439% (0.34  1.00   0.25   0.02) =   0.023%
          HB2   LEU   73 - QD    PHE   59  12.44 +/- 4.07  13.618% *  0.0207% (0.20  1.00   0.02   0.02) =   0.004%
          HB3   LYS+  99 - QD    PHE   59  14.42 +/- 3.13   2.064% *  0.1042% (1.00  1.00   0.02   0.02) =   0.003%
          QD    LYS+  99 - QD    PHE   59  13.09 +/- 2.91   2.872% *  0.0392% (0.38  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QD    PHE   59  15.58 +/- 1.81   1.161% *  0.0837% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (1.44, 7.19, 131.79 ppm):
    13 chemical-shift based assignments, quality = 0.548, support = 2.4, residual support = 27.2:
          HB3   LEU  115 - QD    PHE   59   3.08 +/- 1.19  35.447% * 61.4506% (0.65   2.35  28.43) =  76.705%  kept
          HG    LEU  115 - QD    PHE   59   3.30 +/- 1.13  28.689% * 18.8733% (0.15   3.03  28.43) =  19.067%  kept
          QB    ALA   61 - QD    PHE   59   5.73 +/- 1.14  11.114% *  6.4919% (0.69   0.23   0.74) =   2.541%  kept
          QB    ALA  120 - QD    PHE   59   7.11 +/- 0.64   4.125% *  8.1338% (0.15   1.30   0.02) =   1.181%  kept
          HG    LEU   73 - QD    PHE   59  11.78 +/- 4.70  10.646% *  0.8067% (1.00   0.02   0.02) =   0.302%  kept
          QG    LYS+  66 - QD    PHE   59   8.52 +/- 2.22   3.091% *  0.7802% (0.97   0.02   0.02) =   0.085%
          HB3   LEU   67 - QD    PHE   59  10.36 +/- 2.53   1.781% *  0.6753% (0.84   0.02   0.02) =   0.042%
          HG    LEU   67 - QD    PHE   59  10.18 +/- 2.72   1.491% *  0.4254% (0.53   0.02   0.02) =   0.022%
          QB    ALA  110 - QD    PHE   59   8.85 +/- 1.39   1.564% *  0.3625% (0.45   0.02   0.02) =   0.020%
          HG    LEU   40 - QD    PHE   59  11.06 +/- 2.46   0.971% *  0.5230% (0.65   0.02   0.02) =   0.018%
          HG12  ILE   19 - QD    PHE   59  14.66 +/- 2.40   0.654% *  0.3034% (0.38   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - QD    PHE   59  18.28 +/- 3.08   0.246% *  0.7802% (0.97   0.02   0.02) =   0.007%
          HG    LEU   80 - QD    PHE   59  18.24 +/- 3.41   0.178% *  0.3935% (0.49   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (1.10, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.478, support = 3.1, residual support = 19.5:
        T HG13  ILE  119 - QD    PHE   59   2.89 +/- 0.82  57.558% * 70.5871% (0.41 10.00   3.60  22.93) =  84.185%  kept
        T QG1   VAL  107 - QD    PHE   59   5.34 +/- 2.01  26.230% * 28.9959% (0.84 10.00   0.40   1.37) =  15.759%  kept
          HD3   LYS+ 112 - QD    PHE   59   8.00 +/- 1.93  14.777% *  0.1683% (0.98  1.00   0.02   0.02) =   0.052%
          QG1   VAL   24 - QD    PHE   59  15.28 +/- 3.56   0.907% *  0.1717% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - QD    PHE   59  16.21 +/- 2.10   0.527% *  0.0770% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.33 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   7.94 +/- 1.11  50.442% * 60.0043% (0.98   0.02   0.02) =  74.987%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.79 +/- 0.53  27.890% * 22.9752% (0.38   0.02   0.02) =  15.875%  kept
          HB3   LEU  104 - QD    PHE   59  12.61 +/- 3.23  21.669% * 17.0205% (0.28   0.02   0.02) =   9.137%  kept
    Distance limit 5.25 A violated in 16 structures by 2.09 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 4.29, residual support = 25.5:
          QD2   LEU  115 - QD    PHE   59   2.53 +/- 1.02  50.510% * 81.5012% (0.98   4.68  28.43) =  89.755%  kept
          QD1   LEU   63 - QD    PHE   59   4.32 +/- 2.25  30.046% * 14.7523% (0.92   0.90   0.24) =   9.664%  kept
          QD2   LEU   63 - QD    PHE   59   5.29 +/- 1.78  10.787% *  1.5033% (0.34   0.25   0.24) =   0.354%  kept
          QD1   LEU   73 - QD    PHE   59  10.39 +/- 3.93   6.592% *  1.4950% (0.92   0.09   0.02) =   0.215%  kept
          QD1   LEU  104 - QD    PHE   59  11.10 +/- 2.98   1.463% *  0.2844% (0.80   0.02   0.02) =   0.009%
          QD2   LEU   80 - QD    PHE   59  15.23 +/- 2.17   0.273% *  0.3427% (0.97   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD    PHE   59  14.42 +/- 2.34   0.329% *  0.1211% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.69 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 = 4.42, residual support = 28.4:
        T QD1   LEU  115 - QD    PHE   59   2.73 +/- 0.75  83.969% * 99.3411% (0.84 10.00   4.43  28.43) =  99.909%  kept
          QB    ALA   64 - QD    PHE   59   6.74 +/- 0.95  12.602% *  0.5819% (0.15  1.00   0.63   0.02) =   0.088%
          QG1   VAL   75 - QD    PHE   59   9.24 +/- 1.15   3.429% *  0.0769% (0.65  1.00   0.02   0.02) =   0.003%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.728, support = 1.5, residual support = 28.2:
        T HA    LEU  115 - QE    PHE   59   2.89 +/- 0.67  82.131% * 91.2658% (0.73 10.00   1.50  28.43) =  99.226%  kept
          HA    GLU- 114 - QE    PHE   59   6.87 +/- 0.74   7.270% *  7.8143% (1.00  1.00   0.93   0.02) =   0.752%  kept
        T HA    ARG+  54 - QE    PHE   59  11.19 +/- 1.70   2.975% *  0.3316% (0.20 10.00   0.02   0.02) =   0.013%
          HA    ASN   28 - QE    PHE   59  16.72 +/- 3.07   1.542% *  0.1151% (0.69  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QE    PHE   59  15.87 +/- 2.25   1.044% *  0.1454% (0.87  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - QE    PHE   59  19.46 +/- 3.45   0.965% *  0.1342% (0.80  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - QE    PHE   59  17.28 +/- 3.34   0.716% *  0.1643% (0.98  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QE    PHE   59   9.75 +/- 1.30   3.356% *  0.0293% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.78, residual support = 11.8:
        T HB    THR  118 - QE    PHE   59   2.90 +/- 0.68  96.200% * 99.7343% (0.95 10.00   1.78  11.82) =  99.998%  kept
          HA    ILE   89 - QE    PHE   59  16.33 +/- 1.87   1.013% *  0.0717% (0.61  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QE    PHE   59  14.86 +/- 2.03   1.185% *  0.0530% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QE    PHE   59  17.74 +/- 2.49   0.633% *  0.0717% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.74 +/- 3.68   0.497% *  0.0486% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.83 +/- 2.62   0.472% *  0.0207% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.752, support = 0.551, residual support = 1.72:
          HB    VAL  107 - QE    PHE   59   5.24 +/- 2.61  47.910% * 65.7695% (0.80   0.57   1.37) =  83.106%  kept
          HB3   ASP-  62 - QE    PHE   59   6.53 +/- 1.38  25.121% * 14.1917% (0.14   0.73   6.20) =   9.403%  kept
          QE    LYS+ 112 - QE    PHE   59   8.11 +/- 1.82  19.992% * 13.4251% (1.00   0.09   0.02) =   7.079%  kept
          HB3   PHE   45 - QE    PHE   59  10.40 +/- 1.51   4.321% *  2.8666% (1.00   0.02   0.02) =   0.327%  kept
          HG2   GLU-  29 - QE    PHE   59  20.78 +/- 3.24   0.826% *  1.7426% (0.61   0.02   0.02) =   0.038%
          HB3   ASP-  86 - QE    PHE   59  18.56 +/- 2.97   0.850% *  1.2881% (0.45   0.02   0.02) =   0.029%
          QG    GLN   32 - QE    PHE   59  18.28 +/- 2.42   0.980% *  0.7164% (0.25   0.02   0.02) =   0.019%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.732, support = 4.24, residual support = 22.4:
          HG12  ILE  119 - QE    PHE   59   2.82 +/- 0.40  78.253% * 81.9933% (0.73   4.33  22.93) =  97.779%  kept
          HB3   PHE   72 - QE    PHE   59   9.35 +/- 2.99  11.165% *  8.0324% (1.00   0.31   0.02) =   1.367%  kept
          HB2   ASP-  44 - QE    PHE   59   7.34 +/- 1.85   6.980% *  7.8651% (0.99   0.30   0.02) =   0.837%  kept
          QG    GLU-  15 - QE    PHE   59  16.63 +/- 2.73   0.799% *  0.4938% (0.95   0.02   0.02) =   0.006%
          QG    GLU-  14 - QE    PHE   59  17.94 +/- 3.08   0.492% *  0.5209% (1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - QE    PHE   59  16.76 +/- 1.29   0.476% *  0.5117% (0.98   0.02   0.02) =   0.004%
          HG3   MET   92 - QE    PHE   59  13.03 +/- 1.24   1.047% *  0.1302% (0.25   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QE    PHE   59  19.70 +/- 3.44   0.564% *  0.1781% (0.34   0.02   0.02) =   0.002%
          QB    MET   11 - QE    PHE   59  23.94 +/- 3.41   0.223% *  0.2747% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.77 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 = 0.675, support = 3.52, residual support = 16.7:
          HG13  ILE  119 - QE    PHE   59   3.40 +/- 0.89  39.088% * 68.0130% (0.73   4.18  22.93) =  71.223%  kept
          QG1   VAL  107 - QE    PHE   59   4.00 +/- 2.35  42.715% * 23.5706% (0.53   2.00   1.37) =  26.974%  kept
          HD3   LYS+ 112 - QE    PHE   59   9.04 +/- 1.73   8.429% *  7.5736% (0.95   0.36   0.02) =   1.710%  kept
          QG1   VAL   24 - QE    PHE   59  15.07 +/- 3.80   8.146% *  0.3886% (0.87   0.02   0.02) =   0.085%
          HB3   LEU   31 - QE    PHE   59  15.20 +/- 2.28   0.463% *  0.3424% (0.76   0.02   0.02) =   0.004%
          QB    ALA   20 - QE    PHE   59  13.83 +/- 2.50   1.160% *  0.1117% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.811, support = 2.51, residual support = 23.8:
        T QD2   LEU  115 - QE    PHE   59   3.07 +/- 0.79  42.964% * 79.4603% (0.87 10.00   2.87  28.43) =  83.646%  kept
        T QD1   LEU   63 - QE    PHE   59   4.69 +/- 2.86  36.554% * 17.2596% (0.53 10.00   0.72   0.24) =  15.458%  kept
        T QD1   LEU   73 - QE    PHE   59  10.04 +/- 4.05  15.302% *  2.1978% (0.53 10.00   0.09   0.02) =   0.824%  kept
        T QD1   LEU  104 - QE    PHE   59   9.80 +/- 3.06   3.123% *  0.9140% (1.00 10.00   0.02   0.02) =   0.070%
          QG1   VAL   83 - QE    PHE   59  14.06 +/- 2.53   0.604% *  0.0700% (0.76  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   59  15.09 +/- 2.40   0.458% *  0.0822% (0.90  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  12.10 +/- 1.83   0.995% *  0.0160% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 2.86, residual support = 27.2:
          QD1   LEU  115 - QE    PHE   59   3.56 +/- 0.69  78.523% * 79.8986% (0.45   2.96  28.43) =  95.607%  kept
          QB    ALA   64 - QE    PHE   59   7.14 +/- 1.14  14.466% * 19.7662% (0.45   0.73   0.02) =   4.357%  kept
          QG1   VAL   75 - QE    PHE   59   9.12 +/- 1.29   7.011% *  0.3351% (0.28   0.02   0.02) =   0.036%
    Distance limit 5.20 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 = 3.99, residual support = 11.8:
          QG2   THR  118 - QE    PHE   59   2.22 +/- 0.59 100.000% *100.0000% (0.80   3.99  11.82) = 100.000%  kept
    Distance limit 5.07 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 = 72.3:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  86.595% * 98.8845% (0.99  10.0   1.11  72.40) =  99.882%  kept
          QE    PHE   59 - QE    PHE   60   7.29 +/- 2.38  11.743% *  0.8398% (0.28   1.0   0.33  20.22) =   0.115%  kept
          HN    LYS+  66 - QE    PHE   60   9.55 +/- 1.22   1.313% *  0.1379% (0.76   1.0   0.02   0.02) =   0.002%
          HN    LYS+  81 - QE    PHE   60  17.03 +/- 4.58   0.348% *  0.1379% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 169 (2.26, 7.63, 131.92 ppm):
    10 chemical-shift based assignments, quality = 0.848, support = 1.62, residual support = 4.36:
          HB3   PHE   72 - QE    PHE   60   8.55 +/- 2.76  20.061% * 64.8024% (0.87   2.36   6.56) =  56.338%  kept
          HB2   ASP-  44 - QE    PHE   60   6.11 +/- 3.46  38.684% * 18.1610% (0.76   0.75   2.14) =  30.447%  kept
          HG12  ILE  119 - QE    PHE   60   8.75 +/- 2.40  20.612% * 14.4580% (0.98   0.47   0.11) =  12.915%  kept
          QG    GLU-  14 - QE    PHE   60  16.21 +/- 3.82   3.494% *  0.5074% (0.80   0.02   0.02) =   0.077%
          HG3   MET   92 - QE    PHE   60  13.62 +/- 4.16   3.259% *  0.3588% (0.57   0.02   0.02) =   0.051%
          QG    GLN   90 - QE    PHE   60  15.75 +/- 3.53   1.926% *  0.5850% (0.92   0.02   0.02) =   0.049%
          QG    GLU-  15 - QE    PHE   60  16.08 +/- 3.31   2.508% *  0.4099% (0.65   0.02   0.02) =   0.045%
          HB2   ASP- 105 - QE    PHE   60  12.36 +/- 3.35   6.770% *  0.1411% (0.22   0.02   0.02) =   0.041%
          HB2   GLU-  29 - QE    PHE   60  17.97 +/- 3.19   1.694% *  0.4353% (0.69   0.02   0.02) =   0.032%
          QB    MET   11 - QE    PHE   60  21.55 +/- 4.23   0.992% *  0.1411% (0.22   0.02   0.02) =   0.006%
    Distance limit 5.47 A violated in 1 structures by 0.24 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.972, support = 1.46, residual support = 3.5:
          HB    VAL   42 - QE    PHE   60   8.29 +/- 2.40  16.658% * 57.4423% (1.00  1.00   1.79   4.55) =  68.530%  kept
          HB3   LEU   73 - QE    PHE   60  10.11 +/- 3.76  11.297% * 29.0863% (0.98  1.00   0.92   1.63) =  23.532%  kept
          HG3   LYS+  65 - QE    PHE   60   9.72 +/- 2.17  10.098% *  6.2912% (1.00  1.00   0.20   0.02) =   4.550%  kept
          HB3   LYS+  74 - QE    PHE   60   9.40 +/- 4.07  14.240% *  1.9337% (0.25  1.00   0.24   0.02) =   1.972%  kept
        T QB    ALA   84 - QE    PHE   60  13.65 +/- 3.70   2.871% *  1.6068% (0.25 10.00   0.02   0.02) =   0.330%  kept
          HG3   LYS+  33 - QE    PHE   60  16.67 +/- 3.64   5.684% *  0.6430% (1.00  1.00   0.02   0.02) =   0.262%  kept
          HB2   LYS+ 112 - QE    PHE   60  11.90 +/- 2.48   5.232% *  0.5949% (0.92  1.00   0.02   0.02) =   0.223%  kept
          HB3   PRO   93 - QE    PHE   60   8.86 +/- 4.08  16.127% *  0.1792% (0.28  1.00   0.02   0.02) =   0.207%  kept
          HG3   LYS+ 106 - QE    PHE   60  13.62 +/- 3.39   2.824% *  0.5383% (0.84  1.00   0.02   0.02) =   0.109%  kept
          QB    LEU   98 - QE    PHE   60  12.10 +/- 2.42   4.467% *  0.3137% (0.49  1.00   0.02   0.02) =   0.100%  kept
          HG3   LYS+ 102 - QE    PHE   60  18.31 +/- 2.76   1.468% *  0.6219% (0.97  1.00   0.02   0.02) =   0.065%
          QB    ALA   12 - QE    PHE   60  18.46 +/- 4.08   1.353% *  0.4925% (0.76  1.00   0.02   0.02) =   0.048%
          HD3   LYS+ 121 - QE    PHE   60  14.03 +/- 2.93   4.256% *  0.1435% (0.22  1.00   0.02   0.02) =   0.044%
          HG    LEU   98 - QE    PHE   60  13.55 +/- 2.45   3.423% *  0.1129% (0.18  1.00   0.02   0.02) =   0.028%
    Distance limit 5.49 A violated in 4 structures by 0.58 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.201, support = 1.35, residual support = 4.38:
        T QD1   ILE   56 - QE    PHE   60   6.13 +/- 2.16  60.638% * 98.7871% (0.20 10.00   1.36   4.40) =  99.595%  kept
          QD2   LEU  123 - QE    PHE   60  11.50 +/- 3.11  23.045% *  0.6789% (0.92  1.00   0.02   0.02) =   0.260%  kept
          HG3   LYS+ 121 - QE    PHE   60  14.28 +/- 3.29  16.317% *  0.5340% (0.73  1.00   0.02   0.02) =   0.145%  kept
    Distance limit 5.50 A violated in 6 structures by 0.89 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.649, support = 1.51, residual support = 3.28:
          QB    ALA   64 - QE    PHE   60   5.60 +/- 1.48  41.142% * 59.6540% (0.84   1.22   2.54) =  62.269%  kept
          QG1   VAL   42 - QE    PHE   60   6.10 +/- 2.20  37.057% * 39.8226% (0.34   2.00   4.55) =  37.441%  kept
          QB    ALA   47 - QE    PHE   60   9.90 +/- 3.38  21.801% *  0.5234% (0.45   0.02   0.02) =   0.290%  kept
    Distance limit 5.26 A violated in 2 structures by 0.26 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.792, support = 2.19, residual support = 3.85:
          HB2   ASP-  44 - QD    PHE   60   5.21 +/- 3.38  43.584% * 37.1081% (0.87   1.78   2.14) =  52.281%  kept
          HB3   PHE   72 - QD    PHE   60   8.30 +/- 2.92  24.226% * 53.0193% (0.76   2.88   6.56) =  41.520%  kept
          HG12  ILE  119 - QD    PHE   60   7.50 +/- 1.75  23.409% *  8.0843% (0.34   0.98   0.11) =   6.117%  kept
          QG    GLU-  15 - QD    PHE   60  16.09 +/- 2.94   1.929% *  0.4553% (0.95   0.02   0.02) =   0.028%
          QG    GLU-  14 - QD    PHE   60  16.34 +/- 3.19   1.523% *  0.4021% (0.84   0.02   0.02) =   0.020%
          QB    MET   11 - QD    PHE   60  21.93 +/- 3.73   0.868% *  0.4317% (0.90   0.02   0.02) =   0.012%
          QG    GLN   90 - QD    PHE   60  15.59 +/- 2.88   1.092% *  0.3306% (0.69   0.02   0.02) =   0.012%
          HG2   MET   92 - QD    PHE   60  13.38 +/- 3.35   1.808% *  0.0843% (0.18   0.02   0.02) =   0.005%
          HG3   GLU-  36 - QD    PHE   60  21.43 +/- 3.24   1.560% *  0.0843% (0.18   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 1 structures by 0.13 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.28, residual support = 90.5:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.475% * 99.8968% (0.87  10.0   3.28  90.50) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  11.19 +/- 1.70   0.947% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.57 +/- 0.89   0.579% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.697, support = 2.96, residual support = 5.7:
          QD    PHE   60 - QD    PHE   72   6.46 +/- 2.35  37.350% * 82.6334% (0.76   3.27   6.56) =  86.577%  kept
          HE3   TRP   27 - QD    PHE   72   7.14 +/- 1.64  31.179% *  8.6790% (0.25   1.05   0.02) =   7.591%  kept
          HN    LYS+  66 - QD    PHE   72   6.98 +/- 0.92  26.059% *  7.9009% (0.28   0.86   0.21) =   5.775%  kept
          HN    LYS+  81 - QD    PHE   72  15.54 +/- 1.28   2.513% *  0.6558% (0.99   0.02   0.02) =   0.046%
          QD    PHE   55 - QD    PHE   72  14.38 +/- 1.79   2.900% *  0.1309% (0.20   0.02   0.02) =   0.011%
    Distance limit 4.70 A violated in 3 structures by 0.63 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.546, support = 1.45, residual support = 11.6:
          HN    LEU   63 - QD    PHE   72   7.04 +/- 1.27  31.822% * 51.8420% (0.80   0.83  16.22) =  54.812%  kept
          QE    PHE   60 - QD    PHE   72   6.73 +/- 2.39  36.607% * 33.5080% (0.18   2.44   6.56) =  40.755%  kept
          HD21  ASN   28 - QD    PHE   72  11.87 +/- 1.83   9.912% *  7.8287% (0.90   0.11   0.02) =   2.578%  kept
          HZ2   TRP   87 - QD    PHE   72  14.71 +/- 4.12   9.947% *  4.7756% (0.73   0.08   0.02) =   1.578%  kept
          HN    ILE   56 - QD    PHE   72  13.63 +/- 2.16   4.459% *  1.0775% (0.69   0.02   0.02) =   0.160%  kept
          HN    ALA   84 - QD    PHE   72  15.38 +/- 1.61   4.309% *  0.4841% (0.31   0.02   0.02) =   0.069%
          HN    LYS+ 111 - QD    PHE   72  16.33 +/- 2.10   2.943% *  0.4841% (0.31   0.02   0.02) =   0.047%
    Distance limit 5.43 A violated in 7 structures by 0.80 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.62, residual support = 90.5:
          HN    PHE   72 - QD    PHE   72   2.47 +/- 0.60  98.158% * 99.8235% (0.98   5.62  90.50) =  99.997%  kept
          HN    LEU  104 - QD    PHE   72  11.15 +/- 1.77   1.842% *  0.1765% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.729, support = 2.08, residual support = 90.5:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  50.883% * 52.6465% (0.76  10.0 10.00   1.06  90.50) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.731% * 47.3200% (0.69  10.0 10.00   3.28  90.50) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   7.89 +/- 1.41   1.386% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.657, support = 1.08, residual support = 5.17:
          QD    PHE   60 - QE    PHE   72   5.85 +/- 2.01  42.572% * 69.8565% (0.76   1.17   6.56) =  78.210%  kept
          HN    LYS+  66 - QE    PHE   72   5.56 +/- 0.67  38.847% * 17.2751% (0.28   0.80   0.21) =  17.649%  kept
          HE3   TRP   27 - QE    PHE   72   8.44 +/- 1.52  13.960% * 11.0145% (0.25   0.57   0.02) =   4.044%  kept
          HN    LYS+  81 - QE    PHE   72  15.24 +/- 1.17   1.852% *  1.5453% (0.99   0.02   0.02) =   0.075%
          QD    PHE   55 - QE    PHE   72  13.48 +/- 1.27   2.769% *  0.3086% (0.20   0.02   0.02) =   0.022%
    Distance limit 4.92 A violated in 0 structures by 0.12 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.06, residual support = 90.5:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  98.995% * 99.8351% (1.00  10.0   1.06  90.50) =  99.999%  kept
          HN    ALA   47 - HZ    PHE   72  13.13 +/- 2.45   0.603% *  0.1067% (0.57   1.0   0.02   0.02) =   0.001%
          HD22  ASN   28 - HZ    PHE   72  14.76 +/- 1.99   0.402% *  0.0582% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.61, residual support = 90.5:
          HA    PHE   72 - QD    PHE   72   3.59 +/- 0.26  94.484% * 99.8354% (0.90   4.61  90.50) =  99.990%  kept
          HA    MET   96 - QD    PHE   72   9.70 +/- 1.10   5.516% *  0.1646% (0.34   0.02   0.02) =   0.010%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (4.83, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.53, support = 0.02, residual support = 0.02:
          HA    THR   23 - QD    PHE   72  12.67 +/- 1.63  16.798% * 28.8048% (0.65   0.02   0.02) =  29.778%  kept
          HA    PHE   45 - QD    PHE   72   8.51 +/- 0.85  48.158% *  9.9133% (0.22   0.02   0.02) =  29.380%  kept
          HA    ASP-  78 - QD    PHE   72  14.63 +/- 0.51  10.101% * 41.1037% (0.92   0.02   0.02) =  25.551%  kept
          HA    LEU   80 - QD    PHE   72  14.30 +/- 1.93  11.774% * 12.3802% (0.28   0.02   0.02) =   8.971%  kept
          HB    THR   23 - QD    PHE   72  13.58 +/- 1.32  13.169% *  7.7981% (0.18   0.02   0.02) =   6.320%  kept
    Distance limit 5.38 A violated in 20 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.664, support = 3.67, residual support = 61.7:
        T HA    ALA   64 - QD    PHE   72   3.81 +/- 0.86  27.241% * 82.1299% (0.92   1.0 10.00   3.17  45.58) =  64.206%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.40 +/- 0.14  70.821% * 17.6071% (0.20  10.0 10.00   4.58  90.50) =  35.784%  kept
          QE    LYS+  66 - QD    PHE   72   9.69 +/- 1.53   1.535% *  0.2161% (0.25   1.0  1.00   0.19   0.21) =   0.010%
          HB3   ASN   35 - QD    PHE   72  13.89 +/- 1.20   0.402% *  0.0468% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 90.5:
      O T HB3   PHE   72 - QD    PHE   72   2.47 +/- 0.14  79.799% * 99.4111% (0.98  10.0 10.00   4.87  90.50) =  99.977%  kept
          HB2   ASP-  44 - QD    PHE   72   5.15 +/- 0.96  13.086% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.015%
          HG12  ILE  119 - QD    PHE   72  10.59 +/- 2.15   3.034% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - QD    PHE   72  11.44 +/- 3.83   1.461% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QD    PHE   72  12.23 +/- 3.96   1.150% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   72  16.70 +/- 1.51   0.292% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  13.43 +/- 1.58   0.553% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  15.65 +/- 1.54   0.382% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  18.02 +/- 2.55   0.242% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.757, support = 1.79, residual support = 12.3:
        T HB    VAL   42 - QD    PHE   72   4.26 +/- 1.45  34.891% * 51.3873% (0.80 10.00   0.73   4.00) =  66.511%  kept
          HB3   LEU   73 - QD    PHE   72   5.20 +/- 0.75  19.376% * 29.7265% (0.73  1.00   4.66  44.28) =  21.366%  kept
          HB3   LYS+  74 - QD    PHE   72   5.48 +/- 1.75  22.871% * 13.2743% (0.57  1.00   2.67   1.89) =  11.262%  kept
          HG3   LYS+  65 - QD    PHE   72   8.29 +/- 0.87   3.934% *  3.7094% (0.80  1.00   0.53   0.02) =   0.541%  kept
        T HB2   LYS+ 112 - QD    PHE   72  15.49 +/- 3.45   6.593% *  1.0651% (0.61 10.00   0.02   0.02) =   0.260%  kept
          QB    LEU   98 - QD    PHE   72   8.50 +/- 2.21   5.271% *  0.1467% (0.84  1.00   0.02   0.02) =   0.029%
          HG3   LYS+  33 - QD    PHE   72  11.34 +/- 1.94   1.836% *  0.1523% (0.87  1.00   0.02   0.02) =   0.010%
          QB    ALA   12 - QD    PHE   72  15.08 +/- 2.75   0.917% *  0.1740% (0.99  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - QD    PHE   72  12.49 +/- 2.04   1.276% *  0.0855% (0.49  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QD    PHE   72  14.09 +/- 2.18   1.012% *  0.0924% (0.53  1.00   0.02   0.02) =   0.003%
          HB2   LEU   80 - QD    PHE   72  13.04 +/- 2.80   1.321% *  0.0659% (0.38  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - QD    PHE   72  15.05 +/- 2.13   0.702% *  0.1206% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.468, support = 1.5, residual support = 24.1:
        T QD1   LEU   67 - QD    PHE   72   4.02 +/- 0.83  38.104% * 76.2498% (0.41 10.00   1.50  27.19) =  87.906%  kept
          HB    VAL   75 - QD    PHE   72   5.27 +/- 0.84  17.830% * 19.2737% (0.98  1.00   1.59   1.28) =  10.397%  kept
          HG3   LYS+  74 - QD    PHE   72   6.56 +/- 1.53  15.066% *  2.8884% (0.22  1.00   1.05   1.89) =   1.317%  kept
        T QD1   ILE  119 - QD    PHE   72   9.29 +/- 2.19   8.164% *  1.3011% (0.53 10.00   0.02   0.02) =   0.321%  kept
          QD2   LEU   40 - QD    PHE   72   6.35 +/- 1.55  13.503% *  0.1109% (0.45  1.00   0.02   0.02) =   0.045%
          QG2   ILE  103 - QD    PHE   72  10.34 +/- 1.64   2.694% *  0.0763% (0.31  1.00   0.02   0.02) =   0.006%
          HB2   LEU  104 - QD    PHE   72  10.93 +/- 2.05   3.036% *  0.0617% (0.25  1.00   0.02   0.02) =   0.006%
          QG2   VAL  108 - QD    PHE   72  12.56 +/- 1.68   1.603% *  0.0382% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 5.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 6.54, residual support = 43.8:
          QD2   LEU   73 - QD    PHE   72   3.19 +/- 0.87  57.046% * 95.9154% (0.95   6.61  44.28) =  98.923%  kept
          QG1   VAL   43 - QD    PHE   72   5.35 +/- 1.11  18.590% *  2.3544% (0.15   0.99   0.02) =   0.791%  kept
          QG1   VAL   41 - QD    PHE   72   6.06 +/- 1.24  12.506% *  1.0081% (0.28   0.24   0.02) =   0.228%  kept
          QD1   ILE   56 - QD    PHE   72   9.80 +/- 2.40   5.874% *  0.3042% (0.99   0.02   0.02) =   0.032%
          HG    LEU   31 - QD    PHE   72   9.04 +/- 1.88   4.885% *  0.2564% (0.84   0.02   0.02) =   0.023%
          HG3   LYS+ 121 - QD    PHE   72  14.00 +/- 2.09   1.099% *  0.1615% (0.53   0.02   0.02) =   0.003%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 45.6:
        T QB    ALA   64 - QD    PHE   72   2.78 +/- 0.51  94.482% * 99.9781% (0.80 10.00   5.89  45.58) =  99.999%  kept
          QD1   LEU  115 - QD    PHE   72   9.59 +/- 2.27   5.518% *  0.0219% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.81, residual support = 49.7:
        T QG2   VAL   70 - QD    PHE   72   2.07 +/- 0.39 100.000% *100.0000% (0.65 10.00   3.81  49.66) = 100.000%  kept
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.38, support = 3.94, residual support = 45.1:
        T HA    ALA   64 - QE    PHE   72   2.81 +/- 0.47  89.062% * 90.6327% (0.38 10.00   3.97  45.58) =  98.851%  kept
          QE    LYS+  66 - QE    PHE   72   8.38 +/- 1.55  10.259% *  9.1279% (0.80  1.00   0.94   0.21) =   1.147%  kept
          HB3   ASN   35 - QE    PHE   72  15.37 +/- 1.24   0.679% *  0.2393% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.99, support = 4.3, residual support = 47.6:
        T HB    VAL   70 - QE    PHE   72   2.69 +/- 0.85  70.747% * 85.2844% (0.99 10.00   4.47  49.66) =  95.944%  kept
        T QG    GLN   17 - QE    PHE   72  10.32 +/- 5.18  17.573% * 14.4812% (0.97 10.00   0.35   0.02) =   4.047%  kept
          HB2   MET   96 - QE    PHE   72   8.52 +/- 1.96   5.922% *  0.0719% (0.84  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  76 - QE    PHE   72   9.87 +/- 1.22   2.245% *  0.0266% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  16.21 +/- 1.97   0.522% *  0.0772% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   72  12.07 +/- 2.37   1.773% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  14.80 +/- 2.16   0.645% *  0.0323% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.58 +/- 1.28   0.572% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.458, support = 3.09, residual support = 26.3:
        T HB2   LEU   67 - QE    PHE   72   3.36 +/- 1.44  45.292% * 88.2710% (0.45 10.00   3.16  27.19) =  96.826%  kept
          HG2   PRO   68 - QE    PHE   72   7.59 +/- 1.44  12.452% *  6.2826% (0.80  1.00   0.80   0.24) =   1.895%  kept
          HB    ILE   19 - QE    PHE   72   8.95 +/- 4.01  10.618% *  4.8103% (0.73  1.00   0.67   0.14) =   1.237%  kept
          HB    VAL   18 - QE    PHE   72   8.23 +/- 6.56  23.965% *  0.0438% (0.22  1.00   0.02   1.38) =   0.025%
          QB    GLU- 114 - QE    PHE   72  13.23 +/- 2.18   2.256% *  0.1274% (0.65  1.00   0.02   0.02) =   0.007%
          HB2   LEU  115 - QE    PHE   72  11.74 +/- 1.49   0.976% *  0.1645% (0.84  1.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - QE    PHE   72  13.44 +/- 1.45   0.618% *  0.1708% (0.87  1.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - QE    PHE   72  11.21 +/- 4.95   2.329% *  0.0345% (0.18  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QE    PHE   72  12.53 +/- 3.50   1.073% *  0.0345% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QE    PHE   72  16.34 +/- 1.87   0.421% *  0.0608% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 1 structures by 0.09 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.577, support = 2.43, residual support = 16.0:
          HB3   LEU   67 - QE    PHE   72   3.50 +/- 1.33  43.921% * 32.3381% (0.38   3.11  27.19) =  56.078%  kept
          HB3   LYS+  74 - QE    PHE   72   5.66 +/- 1.97  22.307% * 42.2855% (0.90   1.70   1.89) =  37.243%  kept
          QG    LYS+  66 - QE    PHE   72   6.82 +/- 1.30   9.367% *  7.7148% (0.22   1.25   0.21) =   2.853%  kept
          HG12  ILE   19 - QE    PHE   72   9.22 +/- 3.70   4.585% * 12.3281% (0.84   0.53   0.14) =   2.232%  kept
          QB    ALA   61 - QE    PHE   72   6.34 +/- 1.04  13.090% *  2.8779% (0.53   0.20   0.02) =   1.487%  kept
          QB    LEU   98 - QE    PHE   72   9.37 +/- 1.98   2.561% *  0.3588% (0.65   0.02   0.02) =   0.036%
          HB2   LEU   80 - QE    PHE   72  12.90 +/- 2.53   0.889% *  0.5498% (0.99   0.02   0.02) =   0.019%
          HD3   LYS+ 121 - QE    PHE   72  14.02 +/- 2.44   0.913% *  0.5121% (0.92   0.02   0.02) =   0.018%
          HG    LEU   80 - QE    PHE   72  13.25 +/- 3.29   1.098% *  0.4028% (0.73   0.02   0.02) =   0.017%
          QB    ALA  110 - QE    PHE   72  13.73 +/- 1.70   0.660% *  0.4239% (0.76   0.02   0.02) =   0.011%
          QB    ALA   12 - QE    PHE   72  15.77 +/- 2.83   0.608% *  0.2082% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.429, support = 3.88, residual support = 26.1:
        T QD1   LEU   67 - QE    PHE   72   2.60 +/- 0.76  57.364% * 84.0245% (0.41 10.00   3.99  27.19) =  95.949%  kept
          HB    VAL   75 - QE    PHE   72   4.71 +/- 0.79  13.019% * 13.2378% (0.98  1.00   1.32   1.28) =   3.431%  kept
          HG3   LYS+  74 - QE    PHE   72   6.05 +/- 2.10  19.162% *  1.4251% (0.22  1.00   0.63   1.89) =   0.544%  kept
        T QD1   ILE  119 - QE    PHE   72   8.70 +/- 1.68   3.061% *  1.0753% (0.53 10.00   0.02   0.02) =   0.066%
          QD2   LEU   40 - QE    PHE   72   6.91 +/- 1.32   4.475% *  0.0916% (0.45  1.00   0.02   0.02) =   0.008%
          QG2   ILE  103 - QE    PHE   72  10.85 +/- 1.90   1.078% *  0.0631% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72  11.60 +/- 2.35   0.940% *  0.0510% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  12.41 +/- 2.45   0.900% *  0.0315% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.37 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 = 0.563, support = 4.33, residual support = 24.6:
          HB3   LEU   63 - QE    PHE   72   4.99 +/- 1.75  24.368% * 76.0247% (0.73   4.35  16.22) =  69.881%  kept
          QG1   VAL   70 - QE    PHE   72   3.44 +/- 0.74  35.229% * 20.0591% (0.18   4.76  49.66) =  26.656%  kept
          QG1   VAL   18 - QE    PHE   72   6.46 +/- 5.33  27.235% *  3.2909% (0.25   0.55   1.38) =   3.381%  kept
          QD1   LEU   40 - QE    PHE   72   5.42 +/- 1.64  12.539% *  0.1485% (0.31   0.02   0.02) =   0.070%
          QG1   VAL  108 - QE    PHE   72  13.70 +/- 1.99   0.630% *  0.4768% (0.99   0.02   0.02) =   0.011%
    Distance limit 4.56 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 = 0.851, support = 3.57, residual support = 21.9:
          QD2   LEU   63 - QE    PHE   72   3.98 +/- 1.06  35.849% * 30.1308% (0.69   3.99  16.22) =  43.465%  kept
          QD1   LEU   63 - QE    PHE   72   4.67 +/- 1.19  24.666% * 36.1793% (0.98   3.36  16.22) =  35.909%  kept
          QD1   LEU   73 - QE    PHE   72   6.49 +/- 1.07  15.374% * 33.0898% (0.98   3.07  44.28) =  20.471%  kept
          QG2   VAL   41 - QE    PHE   72   6.37 +/- 1.47  12.604% *  0.1912% (0.18   0.10   0.02) =   0.097%
          QD1   LEU  104 - QE    PHE   72  10.29 +/- 2.21   6.211% *  0.0985% (0.45   0.02   0.02) =   0.025%
          QD2   LEU  115 - QE    PHE   72   9.35 +/- 1.51   3.090% *  0.1596% (0.73   0.02   0.02) =   0.020%
          QD2   LEU   80 - QE    PHE   72  10.90 +/- 2.10   2.206% *  0.1509% (0.69   0.02   0.02) =   0.013%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 5.02, residual support = 45.2:
          QB    ALA   64 - QE    PHE   72   2.43 +/- 0.47  67.623% * 97.4594% (0.69   5.06  45.58) =  99.024%  kept
          QG1   VAL   42 - QE    PHE   72   4.12 +/- 1.47  30.901% *  2.0898% (0.49   0.15   4.00) =   0.970%  kept
          QB    ALA   47 - QE    PHE   72  11.30 +/- 1.66   0.821% *  0.3399% (0.61   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - QE    PHE   72  13.99 +/- 2.66   0.654% *  0.1109% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.34, residual support = 49.7:
        T QG2   VAL   70 - QE    PHE   72   2.73 +/- 0.58 100.000% *100.0000% (0.90 10.00   5.34  49.66) = 100.000%  kept
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.646, support = 3.16, residual support = 45.3:
        T HA    ALA   64 - HZ    PHE   72   3.28 +/- 0.73  82.216% * 96.7875% (0.65 10.00   3.17  45.58) =  99.341%  kept
          QE    LYS+  66 - HZ    PHE   72   9.01 +/- 1.92  17.081% *  3.0875% (0.53  1.00   0.78   0.21) =   0.658%  kept
          HB3   ASN   35 - HZ    PHE   72  18.14 +/- 1.45   0.702% *  0.1250% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 5.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 48.8:
        T HB    VAL   70 - HZ    PHE   72   4.84 +/- 0.92  59.176% * 94.8861% (0.92 10.00   3.30  49.66) =  98.194%  kept
        T QG    GLN   17 - HZ    PHE   72  11.93 +/- 5.87  21.429% *  4.4161% (0.97 10.00   0.09   0.02) =   1.655%  kept
        T HB2   MET   96 - HZ    PHE   72  10.09 +/- 2.48  15.616% *  0.5408% (0.53 10.00   0.02   0.02) =   0.148%  kept
          HB2   GLU-  25 - HZ    PHE   72  18.97 +/- 2.57   1.069% *  0.1026% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  17.32 +/- 1.47   1.252% *  0.0386% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  17.43 +/- 2.28   1.458% *  0.0159% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.457, support = 2.84, residual support = 26.0:
        T HB2   LEU   67 - HZ    PHE   72   4.20 +/- 1.35  47.987% * 80.3614% (0.45 10.00   2.92  27.19) =  95.691%  kept
          HB    ILE   19 - HZ    PHE   72  10.79 +/- 4.61  11.604% *  6.3938% (0.73  1.00   0.98   0.14) =   1.841%  kept
          HG2   PRO   68 - HZ    PHE   72   9.15 +/- 1.60   6.110% * 10.6859% (0.80  1.00   1.49   0.24) =   1.620%  kept
          HB    VAL   18 - HZ    PHE   72   9.54 +/- 7.53  23.906% *  1.3056% (0.22  1.00   0.65   1.38) =   0.774%  kept
          HB2   GLN   17 - HZ    PHE   72  12.98 +/- 5.65   2.843% *  0.7455% (0.18  1.00   0.47   0.02) =   0.053%
          HB2   LEU  115 - HZ    PHE   72  12.89 +/- 1.88   2.300% *  0.1497% (0.84  1.00   0.02   0.02) =   0.009%
          QB    GLU- 114 - HZ    PHE   72  14.69 +/- 2.53   1.982% *  0.1160% (0.65  1.00   0.02   0.02) =   0.006%
          HG3   PRO   58 - HZ    PHE   72  14.76 +/- 1.93   1.295% *  0.1555% (0.87  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - HZ    PHE   72  14.78 +/- 3.86   1.471% *  0.0314% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HZ    PHE   72  19.12 +/- 2.42   0.501% *  0.0553% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 5.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.571, support = 2.21, residual support = 15.9:
          HB3   LEU   67 - HZ    PHE   72   4.58 +/- 1.32  39.446% * 29.6609% (0.38   2.83  27.19) =  56.139%  kept
          HB3   LYS+  74 - HZ    PHE   72   7.32 +/- 2.25  15.975% * 40.9408% (0.90   1.64   1.89) =  31.382%  kept
          HG12  ILE   19 - HZ    PHE   72  11.05 +/- 4.27   7.944% * 21.7664% (0.84   0.93   0.14) =   8.296%  kept
          QG    LYS+  66 - HZ    PHE   72   7.25 +/- 1.53  16.447% *  4.8697% (0.22   0.78   0.21) =   3.843%  kept
          QB    ALA   61 - HZ    PHE   72   7.29 +/- 0.98  10.488% *  0.2934% (0.53   0.02   0.02) =   0.148%  kept
          QB    LEU   98 - HZ    PHE   72  11.09 +/- 2.20   3.590% *  0.3608% (0.65   0.02   0.02) =   0.062%
          HD3   LYS+ 121 - HZ    PHE   72  15.93 +/- 3.11   1.579% *  0.5148% (0.92   0.02   0.02) =   0.039%
          HB2   LEU   80 - HZ    PHE   72  15.11 +/- 2.63   1.256% *  0.5527% (0.99   0.02   0.02) =   0.033%
          HG    LEU   80 - HZ    PHE   72  15.50 +/- 3.47   1.374% *  0.4049% (0.73   0.02   0.02) =   0.027%
          QB    ALA  110 - HZ    PHE   72  15.26 +/- 2.13   1.152% *  0.4262% (0.76   0.02   0.02) =   0.024%
          QB    ALA   12 - HZ    PHE   72  18.20 +/- 3.32   0.750% *  0.2093% (0.38   0.02   0.02) =   0.008%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.509, support = 3.02, residual support = 22.5:
        T QD1   LEU   67 - HZ    PHE   72   3.16 +/- 0.64  60.373% * 39.9707% (0.41 10.00   3.41  27.19) =  82.037%  kept
        T HB    VAL   75 - HZ    PHE   72   6.49 +/- 0.63   8.748% * 58.7715% (0.98 10.00   1.23   1.28) =  17.478%  kept
          HG3   LYS+  74 - HZ    PHE   72   7.37 +/- 2.74  18.849% *  0.6335% (0.22  1.00   0.59   1.89) =   0.406%  kept
        T QD1   ILE  119 - HZ    PHE   72   9.56 +/- 1.97   3.983% *  0.5115% (0.53 10.00   0.02   0.02) =   0.069%
          QD2   LEU   40 - HZ    PHE   72   8.39 +/- 1.38   4.279% *  0.0436% (0.45  1.00   0.02   0.02) =   0.006%
          QG2   ILE  103 - HZ    PHE   72  12.55 +/- 2.39   1.330% *  0.0300% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  13.57 +/- 2.88   1.204% *  0.0242% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  14.06 +/- 3.12   1.235% *  0.0150% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.811, support = 3.1, residual support = 23.6:
        T HB3   LEU   63 - HZ    PHE   72   5.15 +/- 2.53  37.419% * 68.9908% (0.95 10.00   3.22  16.22) =  76.321%  kept
        T QG1   VAL   70 - HZ    PHE   72   5.04 +/- 0.97  27.858% * 27.3722% (0.38 10.00   2.76  49.66) =  22.544%  kept
          QG1   VAL   18 - HZ    PHE   72   7.69 +/- 6.05  27.634% *  1.0755% (0.49  1.00   0.61   1.38) =   0.879%  kept
          QD1   LEU   71 - HZ    PHE   72   9.07 +/- 0.88   3.455% *  2.4862% (0.20  1.00   3.45  20.04) =   0.254%  kept
          QG1   VAL  108 - HZ    PHE   72  15.46 +/- 2.64   0.855% *  0.0609% (0.84  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HZ    PHE   72  11.98 +/- 2.76   2.780% *  0.0144% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.877, support = 2.58, residual support = 21.8:
          QD1   LEU   63 - HZ    PHE   72   5.05 +/- 1.78  26.807% * 40.6913% (0.98   2.89  16.22) =  45.333%  kept
          QD2   LEU   63 - HZ    PHE   72   4.38 +/- 1.62  37.919% * 21.7703% (0.69   2.20  16.22) =  34.307%  kept
          QD1   LEU   73 - HZ    PHE   72   8.34 +/- 1.09  13.220% * 36.3924% (0.98   2.58  44.28) =  19.995%  kept
          QG2   VAL   41 - HZ    PHE   72   7.79 +/- 1.71  11.329% *  0.6104% (0.18   0.24   0.02) =   0.287%  kept
          QD2   LEU  115 - HZ    PHE   72  10.30 +/- 1.74   3.692% *  0.2089% (0.73   0.02   0.02) =   0.032%
          QD1   LEU  104 - HZ    PHE   72  12.09 +/- 2.51   4.293% *  0.1290% (0.45   0.02   0.02) =   0.023%
          QD2   LEU   80 - HZ    PHE   72  12.78 +/- 2.17   2.739% *  0.1976% (0.69   0.02   0.02) =   0.022%
    Distance limit 5.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.62, residual support = 49.7:
        T QG2   VAL   70 - HZ    PHE   72   4.38 +/- 0.43 100.000% *100.0000% (0.90 10.00   4.62  49.66) = 100.000%  kept
    Distance limit 5.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.87, residual support = 74.4:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.87  74.43) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 74.4:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.615% * 99.9913% (0.98  10.0   1.00  74.43) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  19.69 +/- 3.15   0.385% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.01, residual support = 74.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  98.224% * 99.8601% (0.98  10.0 10.00   1.01  74.43) =  99.999%  kept
          QD    PHE   97 - HE3   TRP   87  14.45 +/- 4.70   1.187% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HE3   TRP   49 - HE3   TRP   87  20.56 +/- 3.73   0.589% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 74.4:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  98.016% * 99.5607% (0.99  10.0   1.00  74.43) =  99.997%  kept
          HD21  ASN   28 - HH2   TRP   87  18.14 +/- 8.95   0.996% *  0.1969% (0.98   1.0   0.02   0.02) =   0.002%
          QE    PHE   60 - HH2   TRP   87  17.63 +/- 4.53   0.546% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HH2   TRP   87  21.02 +/- 3.89   0.233% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.34 +/- 3.55   0.209% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 74.4:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  91.398% * 99.7330% (0.90  10.0   1.00  74.43) =  99.999%  kept
          HN    HIS  122 - HZ2   TRP   87  23.29 +/- 5.98   0.193% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    ILE   56   6.12 +/- 0.66   7.140% *  0.0027% (0.01   1.0   0.02  20.23) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  21.16 +/- 3.47   0.192% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  15.62 +/- 2.75   0.882% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.34 +/- 3.55   0.195% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.863, support = 0.746, residual support = 5.59:
          HZ2   TRP   27 - HZ2   TRP   87  13.17 +/-10.21  42.067% * 97.9192% (0.87   0.75   5.62) =  99.434%  kept
          HZ    PHE   72 - HZ2   TRP   87  16.98 +/- 4.20  10.798% *  1.9473% (0.15   0.08   0.02) =   0.508%  kept
          HZ2   TRP   27 - HN    ILE   56  19.54 +/- 2.45  15.749% *  0.1133% (0.04   0.02   0.02) =   0.043%
          HZ    PHE   72 - HN    ILE   56  14.01 +/- 1.25  31.385% *  0.0202% (0.01   0.02   0.02) =   0.015%
    Distance limit 4.82 A violated in 11 structures by 6.52 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 0.02:
          HD1   TRP   49 - HZ3   TRP   87  19.89 +/- 3.50  15.380% * 22.0041% (0.99   0.02   0.02) =  25.432%  kept
          QE    PHE   95 - HZ3   TRP   87  14.23 +/- 2.20  28.357% * 10.8062% (0.49   0.02   0.02) =  23.028%  kept
          HD2   HIS   22 - HZ3   TRP   87  24.67 +/- 6.73   8.892% * 20.4937% (0.92   0.02   0.02) =  13.694%  kept
          HN    LEU   67 - HZ3   TRP   87  22.89 +/- 4.19   8.771% * 19.9101% (0.90   0.02   0.02) =  13.123%  kept
          HD21  ASN   35 - HZ3   TRP   87  24.14 +/- 8.56  12.477% * 11.6802% (0.53   0.02   0.02) =  10.952%  kept
          HN    THR   23 - HZ3   TRP   87  22.64 +/- 6.85  11.356% * 11.6802% (0.53   0.02   0.02) =   9.968%  kept
          QD    PHE   55 - HZ3   TRP   87  19.75 +/- 4.34  14.769% *  3.4254% (0.15   0.02   0.02) =   3.802%  kept
    Distance limit 4.21 A violated in 20 structures by 8.08 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   3.88 +/- 0.18  96.895% * 97.7118% (0.38   3.72  22.70) =  99.975%  kept
          HN    GLU-  29 - HD1   TRP   87  21.12 +/- 7.46   1.238% *  1.1203% (0.80   0.02   0.02) =   0.015%
          HN    GLN   30 - HD1   TRP   87  20.63 +/- 7.06   1.326% *  0.4318% (0.31   0.02   0.02) =   0.006%
          HN    VAL   18 - HD1   TRP   87  25.18 +/- 6.94   0.540% *  0.7361% (0.53   0.02   0.02) =   0.004%
    Distance limit 5.35 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 = 1.7:
          QD1   LEU   31 - HH2   TRP   87  13.32 +/- 8.51 100.000% *100.0000% (0.80   0.75   1.70) = 100.000%  kept
    Distance limit 5.50 A violated in 12 structures by 8.01 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.531, support = 1.66, residual support = 3.65:
          QD2   LEU   98 - HH2   TRP   87  10.75 +/- 6.89  28.055% * 62.7352% (0.53  1.00   2.00   4.62) =  79.004%  kept
          QD1   LEU   80 - HH2   TRP   87  10.91 +/- 1.71  16.955% * 14.2260% (0.53  1.00   0.45   0.02) =  10.827%  kept
          QG2   VAL   41 - HH2   TRP   87  13.06 +/- 5.51   9.439% * 16.4821% (0.73  1.00   0.38   0.02) =   6.983%  kept
          QD2   LEU   80 - HH2   TRP   87  10.75 +/- 1.90  16.364% *  2.2304% (0.15  1.00   0.24   0.02) =   1.638%  kept
        T QD2   LEU  115 - HH2   TRP   87  16.19 +/- 3.19  10.489% *  2.0883% (0.18 10.00   0.02   0.02) =   0.983%  kept
          QD1   LEU   73 - HH2   TRP   87  13.59 +/- 5.08   9.610% *  0.5346% (0.45  1.00   0.02   0.02) =   0.231%  kept
          QD2   LEU   63 - HH2   TRP   87  17.02 +/- 4.74   4.040% *  1.1688% (0.98  1.00   0.02   0.02) =   0.212%  kept
          QD1   LEU   63 - HH2   TRP   87  16.52 +/- 4.84   5.049% *  0.5346% (0.45  1.00   0.02   0.02) =   0.121%  kept
    Distance limit 5.33 A violated in 10 structures by 2.06 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 1.98, residual support = 4.58:
          QD1   LEU   98 - HH2   TRP   87  10.13 +/- 6.97  43.716% * 97.7918% (0.76   1.99   4.62) =  99.303%  kept
          QD2   LEU  104 - HH2   TRP   87  13.59 +/- 5.83  16.499% *  0.9340% (0.73   0.02   0.02) =   0.358%  kept
          QG2   THR   46 - HH2   TRP   87  14.04 +/- 2.18  26.410% *  0.3207% (0.25   0.02   0.02) =   0.197%  kept
          QD1   ILE   19 - HH2   TRP   87  20.33 +/- 5.65   6.209% *  0.7282% (0.57   0.02   0.02) =   0.105%  kept
          QG2   VAL   18 - HH2   TRP   87  20.79 +/- 6.37   7.166% *  0.2253% (0.18   0.02   0.02) =   0.037%
    Distance limit 4.85 A violated in 11 structures by 3.98 A, kept.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.53, residual support = 74.4:
        T HA    TRP   87 - HE3   TRP   87   3.56 +/- 0.18  97.487% * 99.8092% (0.80 10.00   3.53  74.43) =  99.999%  kept
          HA    PHE   59 - HE3   TRP   87  21.23 +/- 3.03   0.545% *  0.1203% (0.97  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HE3   TRP   87  21.30 +/- 3.51   0.566% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HE3   TRP   87  19.68 +/- 6.28   1.401% *  0.0192% (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 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.22, residual support = 74.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.38 +/- 0.03  99.774% * 99.0099% (1.00  10.0 10.00   3.22  74.43) =  99.998%  kept
        T HB2   PHE   60 - HE3   TRP   87  19.75 +/- 3.53   0.226% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 5.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (0.96, 7.71, 120.66 ppm):
    7 chemical-shift based assignments, quality = 0.93, support = 1.05, residual support = 4.65:
        T QD1   ILE  103 - HE3   TRP   87  10.03 +/- 6.26  34.607% * 96.1004% (0.95 10.00   1.04   4.66) =  97.592%  kept
          QG2   ILE  103 - HE3   TRP   87  10.85 +/- 5.39  23.041% *  3.3904% (0.28  1.00   1.25   4.66) =   2.292%  kept
          QG2   ILE  119 - HE3   TRP   87  19.77 +/- 3.64   7.268% *  0.1947% (1.00  1.00   0.02   0.02) =   0.042%
          QD2   LEU   71 - HE3   TRP   87  19.35 +/- 4.19   6.923% *  0.1689% (0.87  1.00   0.02   0.02) =   0.034%
          HG3   LYS+  74 - HE3   TRP   87  19.46 +/- 3.00   9.343% *  0.0731% (0.38  1.00   0.02   0.02) =   0.020%
          QD1   LEU   67 - HE3   TRP   87  17.74 +/- 3.53  10.531% *  0.0385% (0.20  1.00   0.02   0.02) =   0.012%
          QD2   LEU   40 - HE3   TRP   87  16.24 +/- 4.42   8.288% *  0.0341% (0.18  1.00   0.02   0.02) =   0.008%
    Distance limit 5.42 A violated in 11 structures by 4.21 A, kept.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 74.4:
          HA    TRP   87 - HD1   TRP   87   4.21 +/- 0.18  96.573% * 99.1112% (0.80   4.26  74.43) =  99.991%  kept
          HA    PHE   59 - HD1   TRP   87  20.63 +/- 2.53   0.957% *  0.5605% (0.97   0.02   0.02) =   0.006%
          HA    ASP- 113 - HD1   TRP   87  22.17 +/- 3.14   0.818% *  0.2388% (0.41   0.02   0.02) =   0.002%
          HA    LYS+  99 - HD1   TRP   87  20.22 +/- 4.95   1.652% *  0.0896% (0.15   0.02   0.02) =   0.002%
    Distance limit 5.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.31, residual support = 16.9:
        T HA    VAL   83 - HD1   TRP   87   3.74 +/- 0.30  94.719% * 95.9068% (0.41 10.00   4.31  16.94) =  99.946%  kept
        T HA    VAL   24 - HD1   TRP   87  17.14 +/- 7.57   3.070% *  0.8755% (0.38 10.00   0.02   0.02) =   0.030%
        T HA    GLU- 100 - HD1   TRP   87  22.34 +/- 5.47   1.090% *  1.0459% (0.45 10.00   0.02   0.02) =   0.013%
        T HA    LYS+  38 - HD1   TRP   87  24.85 +/- 4.81   0.504% *  2.0922% (0.90 10.00   0.02   0.02) =   0.012%
          HD2   PRO   58 - HD1   TRP   87  21.46 +/- 3.08   0.618% *  0.0796% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 74.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.90 +/- 0.01  98.690% * 99.0099% (1.00  10.0  1.00   3.94  74.43) =  99.987%  kept
        T HB2   PHE   60 - HD1   TRP   87  18.32 +/- 3.78   1.310% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.013%
    Distance limit 5.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 225 (2.94, 7.75, 128.42 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 22.7:
        T HB2   ASP-  86 - HD1   TRP   87   2.96 +/- 0.37  95.036% * 98.2033% (1.00 10.00   3.60  22.70) =  99.989%  kept
        T HB2   ASN   28 - HD1   TRP   87  20.25 +/- 7.96   0.779% *  0.8221% (0.84 10.00   0.02   0.02) =   0.007%
        T HB2   ASN   35 - HD1   TRP   87  25.23 +/- 6.40   0.285% *  0.7881% (0.80 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD1   TRP   87  11.61 +/- 2.29   3.003% *  0.0219% (0.22  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD1   TRP   87  19.82 +/- 3.93   0.520% *  0.0931% (0.95  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD1   TRP   87  22.32 +/- 5.25   0.378% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.81, residual support = 74.4:
      O   HB3   TRP   87 - HD1   TRP   87   2.87 +/- 0.06  95.757% * 99.2543% (0.25  10.0   3.81  74.43) =  99.991%  kept
          HG3   MET   96 - HD1   TRP   87  12.23 +/- 4.56   3.487% *  0.2254% (0.57   1.0   0.02   0.02) =   0.008%
          HG2   GLU-  36 - HD1   TRP   87  28.43 +/- 5.48   0.134% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  22.93 +/- 3.54   0.305% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  20.94 +/- 3.12   0.317% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.07, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.883, support = 3.63, residual support = 17.0:
        T QG2   VAL   83 - HD1   TRP   87   2.49 +/- 0.57  68.154% * 87.4749% (0.90 10.00   3.61  16.94) =  94.633%  kept
          QD1   ILE   89 - HD1   TRP   87   4.39 +/- 0.99  27.211% * 12.4196% (0.65  1.00   3.94  17.91) =   5.365%  kept
          QD2   LEU   31 - HD1   TRP   87  14.86 +/- 6.15   0.876% *  0.0923% (0.95  1.00   0.02   1.70) =   0.001%
          QG2   VAL   43 - HD1   TRP   87   9.04 +/- 3.63   3.759% *  0.0132% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.919, support = 1.11, residual support = 17.8:
        T QG2   ILE   89 - HD1   TRP   87   4.31 +/- 0.27  43.088% * 90.0991% (0.95 10.00   1.05  17.91) =  87.649%  kept
          QG1   VAL   83 - HD1   TRP   87   3.94 +/- 0.51  55.527% *  9.8507% (0.73  1.00   1.50  16.94) =  12.349%  kept
          QD1   LEU  104 - HD1   TRP   87  16.97 +/- 3.44   1.385% *  0.0503% (0.28  1.00   0.02   0.02) =   0.002%
    Distance limit 5.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 229 (0.56, 7.61, 114.70 ppm):
    16 chemical-shift based assignments, quality = 0.496, support = 0.645, residual support = 3.32:
          QD2   LEU   98 - HZ2   TRP   87  10.75 +/- 6.34  18.729% * 49.7246% (0.53   0.75   4.62) =  71.883%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.91 +/- 1.73   8.091% * 22.7321% (0.53   0.34   0.02) =  14.197%  kept
          QD1   LEU   73 - HZ2   TRP   87  12.49 +/- 4.92   5.512% * 13.7250% (0.45   0.24   0.02) =   5.839%  kept
          QD2   LEU   80 - HZ2   TRP   87   8.73 +/- 1.91   9.269% *  6.2357% (0.15   0.32   0.02) =   4.461%  kept
          QD2   LEU  115 - HN    ILE   56   6.74 +/- 1.83  21.411% *  1.2940% (0.01   1.35   0.02) =   2.138%  kept
          QG2   VAL   41 - HZ2   TRP   87  12.63 +/- 5.04   4.713% *  1.8301% (0.73   0.02   0.02) =   0.666%  kept
          QD2   LEU   63 - HZ2   TRP   87  16.49 +/- 4.38   1.902% *  2.4704% (0.98   0.02   0.02) =   0.363%  kept
          QD1   LEU   63 - HZ2   TRP   87  15.95 +/- 4.63   2.489% *  1.1299% (0.45   0.02   0.02) =   0.217%  kept
          QD2   LEU  115 - HZ2   TRP   87  16.14 +/- 3.16   3.559% *  0.4414% (0.18   0.02   0.02) =   0.121%  kept
          QD2   LEU   63 - HN    ILE   56  10.67 +/- 1.81   5.411% *  0.1072% (0.04   0.02   0.02) =   0.045%
          QD1   LEU   63 - HN    ILE   56   9.24 +/- 1.70   9.517% *  0.0490% (0.02   0.02   0.02) =   0.036%
          QD1   LEU   73 - HN    ILE   56  14.82 +/- 4.35   2.986% *  0.0490% (0.02   0.02   0.02) =   0.011%
          QD1   LEU   80 - HN    ILE   56  17.75 +/- 3.35   1.983% *  0.0575% (0.02   0.02   0.02) =   0.009%
          QG2   VAL   41 - HN    ILE   56  16.96 +/- 1.22   1.055% *  0.0794% (0.03   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    ILE   56  17.53 +/- 1.73   1.028% *  0.0575% (0.02   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    ILE   56  17.54 +/- 2.83   2.346% *  0.0169% (0.01   0.02   0.02) =   0.003%
    Distance limit 5.50 A violated in 1 structures by 0.29 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 0.674, residual support = 1.53:
          QD1   LEU   31 - HZ2   TRP   87  12.48 +/- 8.44  27.523% * 92.4210% (0.15   0.75   1.70) =  89.659%  kept
          QG2   VAL   43 - HZ2   TRP   87   8.52 +/- 4.75  39.895% *  7.1612% (0.45   0.02   0.02) =  10.070%  kept
          QG2   VAL   43 - HN    ILE   56  13.60 +/- 1.21  20.678% *  0.3108% (0.02   0.02   0.02) =   0.227%  kept
          QD1   LEU   31 - HN    ILE   56  18.01 +/- 2.37  11.904% *  0.1070% (0.01   0.02   0.02) =   0.045%
    Distance limit 5.31 A violated in 10 structures by 2.83 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.754, support = 2.72, residual support = 54.5:
          HA    TRP   49 - HE3   TRP   49   4.21 +/- 0.76  51.135% * 48.5597% (0.69   3.16  85.57) =  61.151%  kept
          HA    CYS   50 - HE3   TRP   49   5.19 +/- 1.07  36.191% * 40.8887% (0.87   2.11   4.82) =  36.443%  kept
          HA    ALA   47 - HE3   TRP   49   7.49 +/- 1.03  10.115% *  9.5830% (0.76   0.56  16.17) =   2.387%  kept
          HA1   GLY  109 - HE3   TRP   49  18.25 +/- 4.13   1.064% *  0.3734% (0.84   0.02   0.02) =   0.010%
          HA    VAL  108 - HE3   TRP   49  18.17 +/- 3.39   0.897% *  0.2892% (0.65   0.02   0.02) =   0.006%
          HA    CYS   21 - HE3   TRP   49  23.27 +/- 3.88   0.437% *  0.2176% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HE3   TRP   49  29.28 +/- 1.65   0.161% *  0.0885% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 3.57, residual support = 85.5:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  81.748% * 98.2263% (1.00   3.57  85.57) =  99.930%  kept
          HN    LEU   67 - HE3   TRP   49  20.15 +/- 5.31   4.401% *  0.4419% (0.80   0.02   0.02) =   0.024%
          QE    PHE   95 - HE3   TRP   49  12.55 +/- 2.21   9.018% *  0.2071% (0.38   0.02   0.02) =   0.023%
          HD2   HIS   22 - HE3   TRP   49  23.65 +/- 4.91   2.048% *  0.5409% (0.98   0.02   0.02) =   0.014%
          HN    THR   23 - HE3   TRP   49  22.76 +/- 4.23   2.464% *  0.2269% (0.41   0.02   0.02) =   0.007%
          HD21  ASN   35 - HE3   TRP   49  33.38 +/- 2.92   0.320% *  0.3570% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.39 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 42.6:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  43.133% * 16.7579% (0.84   0.02  85.57) =  49.762%  kept
          HN    LEU   67 - HH2   TRP   49  19.54 +/- 6.04  13.235% * 20.0629% (1.00   0.02   0.02) =  18.281%  kept
          QE    PHE   95 - HH2   TRP   49  10.87 +/- 2.52  16.501% * 15.3326% (0.76   0.02   0.02) =  17.418%  kept
          QD    PHE   55 - HH2   TRP   49   9.56 +/- 2.80  21.448% *  6.8436% (0.34   0.02   0.02) =  10.105%  kept
          HN    THR   23 - HH2   TRP   49  22.63 +/- 3.83   1.897% * 16.0651% (0.80   0.02   0.02) =   2.098%  kept
          HD2   HIS   22 - HH2   TRP   49  23.73 +/- 4.46   1.563% * 13.7814% (0.69   0.02   0.02) =   1.483%  kept
          HE3   TRP   27 - HH2   TRP   49  21.64 +/- 3.19   1.793% *  5.5782% (0.28   0.02   0.02) =   0.689%  kept
          HD21  ASN   35 - HH2   TRP   49  31.75 +/- 3.30   0.429% *  5.5782% (0.28   0.02   0.02) =   0.165%  kept
    Distance limit 4.59 A violated in 16 structures by 1.58 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.746, support = 4.07, residual support = 54.0:
          HA    TRP   49 - HD1   TRP   49   4.29 +/- 0.39  39.892% * 45.1649% (0.69   4.98  85.57) =  58.760%  kept
          HA    CYS   50 - HD1   TRP   49   5.72 +/- 0.63  19.324% * 41.4750% (0.87   3.62   4.82) =  26.139%  kept
          HA    ALA   47 - HD1   TRP   49   4.53 +/- 0.74  36.141% * 12.7883% (0.76   1.27  16.17) =  15.073%  kept
          HA1   GLY  109 - HD1   TRP   49  17.97 +/- 4.84   2.294% *  0.2204% (0.84   0.02   0.02) =   0.016%
          HA    VAL  108 - HD1   TRP   49  17.27 +/- 4.01   1.657% *  0.1707% (0.65   0.02   0.02) =   0.009%
          HA    CYS   21 - HD1   TRP   49  21.09 +/- 3.89   0.517% *  0.1284% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HD1   TRP   49  27.06 +/- 1.85   0.175% *  0.0522% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.69, 7.13, 121.44 ppm):
    2 chemical-shift based assignments, quality = 0.457, support = 0.735, residual support = 4.54:
          QD1   LEU   98 - HZ3   TRP   87  11.09 +/- 6.75  78.677% * 94.4098% (0.45   0.75   4.62) =  98.421%  kept
          QG2   ILE   19 - HZ3   TRP   87  20.64 +/- 5.95  21.323% *  5.5902% (0.99   0.02   0.02) =   1.579%  kept
    Distance limit 5.50 A violated in 11 structures by 5.73 A, kept.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.781, support = 2.01, residual support = 4.63:
          QD1   ILE  103 - HZ3   TRP   87   9.10 +/- 6.81  32.881% * 43.0618% (0.65   2.16   4.66) =  54.515%  kept
          QG2   ILE  103 - HZ3   TRP   87   9.98 +/- 6.01  21.392% * 54.3718% (0.95   1.86   4.66) =  44.782%  kept
          QD1   LEU   67 - HZ3   TRP   87  17.62 +/- 4.05   8.075% *  0.5357% (0.87   0.02   0.02) =   0.167%  kept
          HG3   LYS+  74 - HZ3   TRP   87  19.94 +/- 3.42   6.677% *  0.6121% (0.99   0.02   0.02) =   0.157%  kept
          QD2   LEU   40 - HZ3   TRP   87  15.43 +/- 5.17   6.850% *  0.5158% (0.84   0.02   0.02) =   0.136%  kept
          QD2   LEU   71 - HZ3   TRP   87  18.87 +/- 4.83   5.675% *  0.4720% (0.76   0.02   0.02) =   0.103%  kept
          HB    VAL   75 - HZ3   TRP   87  15.10 +/- 3.93  12.020% *  0.1540% (0.25   0.02   0.02) =   0.071%
          QG2   ILE  119 - HZ3   TRP   87  19.76 +/- 4.16   6.430% *  0.2769% (0.45   0.02   0.02) =   0.069%
    Distance limit 5.50 A violated in 9 structures by 3.41 A, kept.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.765, support = 0.91, residual support = 3.66:
          HG12  ILE  103 - HZ3   TRP   87  11.95 +/- 7.98  29.016% * 60.5057% (0.76   1.03   4.66) =  78.389%  kept
          QB    LYS+ 102 - HZ3   TRP   87  14.38 +/- 7.68  13.278% * 31.4938% (0.76   0.54   0.02) =  18.672%  kept
          HG2   PRO   93 - HZ3   TRP   87  15.79 +/- 2.61  16.782% *  1.4512% (0.95   0.02   0.02) =   1.087%  kept
          HB    VAL   41 - HZ3   TRP   87  16.66 +/- 6.23   7.897% *  1.3758% (0.90   0.02   0.02) =   0.485%  kept
          QB    LYS+  66 - HZ3   TRP   87  21.88 +/- 4.02   5.261% *  1.5205% (0.99   0.02   0.02) =   0.357%  kept
          HB3   PRO   52 - HZ3   TRP   87  20.42 +/- 4.29  10.668% *  0.7467% (0.49   0.02   0.02) =   0.356%  kept
          QB    LYS+  65 - HZ3   TRP   87  20.74 +/- 3.62   7.889% *  0.9924% (0.65   0.02   0.02) =   0.350%  kept
          HB2   LEU   71 - HZ3   TRP   87  21.87 +/- 6.11   5.249% *  0.9305% (0.61   0.02   0.02) =   0.218%  kept
          HG    LEU  123 - HZ3   TRP   87  26.59 +/- 5.42   1.949% *  0.7467% (0.49   0.02   0.02) =   0.065%
          HB3   GLN   17 - HZ3   TRP   87  29.10 +/- 6.44   2.010% *  0.2367% (0.15   0.02   0.02) =   0.021%
    Distance limit 5.50 A violated in 12 structures by 3.49 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   2.85 +/- 0.69 100.000% *100.0000% (0.61   3.86  73.46) = 100.000%  kept
    Distance limit 5.14 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   2.72 +/- 0.51 100.000% *100.0000% (0.98 10.00   3.44  73.46) = 100.000%  kept
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.895, support = 1.89, residual support = 4.17:
          HA    ASP-  44 - QD    PHE   95   3.85 +/- 1.34  66.141% * 92.8327% (0.90   1.89   4.18) =  99.659%  kept
          HB    THR   77 - QD    PHE   95  10.64 +/- 1.58   9.882% *  0.9137% (0.84   0.02   0.02) =   0.147%  kept
          HA    ILE  103 - QD    PHE   95  11.04 +/- 0.97   5.508% *  0.7943% (0.73   0.02   0.02) =   0.071%
          HA    LEU  104 - QD    PHE   95  11.80 +/- 1.44   6.408% *  0.3041% (0.28   0.02   0.02) =   0.032%
          HA    SER   85 - QD    PHE   95  16.27 +/- 1.24   1.411% *  0.9137% (0.84   0.02   0.02) =   0.021%
          HA    ASP-  86 - QD    PHE   95  16.54 +/- 1.88   1.403% *  0.7943% (0.73   0.02   0.02) =   0.018%
          HA1   GLY   51 - QD    PHE   95  13.47 +/- 2.09   4.239% *  0.2165% (0.20   0.02   0.02) =   0.015%
          HA    GLU-  79 - QD    PHE   95  15.27 +/- 1.66   2.029% *  0.3731% (0.34   0.02   0.02) =   0.012%
          HA    THR   39 - QD    PHE   95  15.82 +/- 1.16   1.650% *  0.3041% (0.28   0.02   0.02) =   0.008%
          HA    GLU-  14 - QD    PHE   95  21.61 +/- 3.00   0.665% *  0.7076% (0.65   0.02   0.02) =   0.008%
          HA    MET   11 - QD    PHE   95  27.81 +/- 2.97   0.301% *  1.0098% (0.92   0.02   0.02) =   0.005%
          HA    ALA   12 - QD    PHE   95  25.87 +/- 2.67   0.364% *  0.8360% (0.76   0.02   0.02) =   0.005%
    Distance limit 5.12 A violated in 1 structures by 0.13 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   2.41 +/- 0.13 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.46) = 100.000%  kept
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (2.54, 7.02, 132.19 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 73.4:
      O T HB3   PHE   95 - QD    PHE   95   2.55 +/- 0.19  96.349% * 96.3284% (0.99  10.0 10.00   3.31  73.46) =  99.867%  kept
          HG2   GLN  116 - QD    PHE   95   8.50 +/- 1.21   3.392% *  3.6446% (1.00   1.0  1.00   0.75   0.02) =   0.133%  kept
          HG2   GLU-  25 - QD    PHE   95  20.90 +/- 2.42   0.259% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.919, support = 3.67, residual support = 42.1:
        T HB    VAL  107 - QD    PHE   95   2.64 +/- 0.63  71.588% * 95.0269% (0.92 10.00   3.69  42.47) =  99.040%  kept
          HB3   PHE   45 - QD    PHE   95   6.39 +/- 1.45  13.219% *  2.8020% (0.53  1.00   1.03   1.89) =   0.539%  kept
          QE    LYS+ 112 - QD    PHE   95   7.25 +/- 2.27  14.189% *  2.0310% (0.53  1.00   0.75   4.12) =   0.420%  kept
          QG    GLU-  79 - QD    PHE   95  13.84 +/- 1.86   0.721% *  0.0542% (0.53  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QD    PHE   95  18.33 +/- 1.13   0.283% *  0.0860% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.697, support = 0.663, residual support = 2.28:
          HB3   ASP-  44 - QD    PHE   95   5.12 +/- 1.80  21.580% * 23.5330% (0.76   0.75   4.18) =  41.705%  kept
          HB2   LEU   63 - QD    PHE   95   7.75 +/- 2.66  11.605% * 22.8032% (0.65   0.86   1.92) =  21.732%  kept
          HB3   PRO   93 - QD    PHE   95   5.21 +/- 1.00  16.951% *  9.7377% (1.00   0.24   0.02) =  13.556%  kept
          HG3   LYS+ 106 - QD    PHE   95   8.08 +/- 1.14   5.422% * 16.4624% (0.61   0.66   0.02) =   7.330%  kept
          HB3   LEU   73 - QD    PHE   95  10.47 +/- 3.74  12.218% *  6.8803% (0.38   0.45   0.55) =   6.904%  kept
          HB    VAL   42 - QD    PHE   95   7.54 +/- 1.54   8.540% *  9.5042% (0.31   0.75   0.94) =   6.666%  kept
          HG    LEU   98 - QD    PHE   95  11.22 +/- 1.39   1.701% *  6.2123% (0.97   0.16   0.02) =   0.868%  kept
          HG3   LYS+  65 - QD    PHE   95  11.54 +/- 3.24   6.408% *  1.3755% (0.31   0.11   0.02) =   0.724%  kept
          HB2   LYS+ 112 - QD    PHE   95   7.61 +/- 1.70   6.673% *  0.3997% (0.49   0.02   4.12) =   0.219%  kept
          QB    ALA   84 - QD    PHE   95  11.68 +/- 0.95   1.286% *  0.8193% (1.00   0.02   0.02) =   0.087%
          HG2   LYS+ 111 - QD    PHE   95   8.86 +/- 1.56   4.096% *  0.2534% (0.31   0.02   0.12) =   0.085%
          HB3   LEU   80 - QD    PHE   95  14.27 +/- 2.88   1.470% *  0.4320% (0.53   0.02   0.02) =   0.052%
          QB    ALA  124 - QD    PHE   95  14.93 +/- 1.48   0.631% *  0.7364% (0.90   0.02   0.02) =   0.038%
          HG3   LYS+ 102 - QD    PHE   95  15.65 +/- 1.12   0.524% *  0.3376% (0.41   0.02   0.02) =   0.015%
          HB2   LEU   31 - QD    PHE   95  16.05 +/- 1.44   0.518% *  0.3082% (0.38   0.02   0.02) =   0.013%
          HG3   LYS+  33 - QD    PHE   95  18.07 +/- 2.05   0.376% *  0.2048% (0.25   0.02   0.02) =   0.006%
    Distance limit 5.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.87, residual support = 42.5:
        T QG2   VAL  107 - QD    PHE   95   2.17 +/- 0.38  96.306% * 99.7831% (0.99 10.00   3.87  42.47) =  99.997%  kept
          HG2   LYS+ 121 - QD    PHE   95  11.88 +/- 2.87   1.465% *  0.0873% (0.87  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QD    PHE   95  10.46 +/- 1.23   1.260% *  0.0806% (0.80  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD    PHE   95  13.77 +/- 2.35   0.969% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.972, support = 1.42, residual support = 7.19:
        T QD2   LEU  115 - QD    PHE   95   4.20 +/- 1.43  33.290% * 80.4523% (0.99 10.00   1.35   8.17) =  85.009%  kept
          QD1   LEU   63 - QD    PHE   95   6.13 +/- 3.23  27.533% * 12.0654% (0.90  1.00   2.23   1.92) =  10.544%  kept
          QD1   LEU   73 - QD    PHE   95   8.69 +/- 3.60  23.486% *  4.8641% (0.90  1.00   0.90   0.55) =   3.626%  kept
          QD2   LEU   63 - QD    PHE   95   7.13 +/- 2.80  10.807% *  2.3543% (0.31  1.00   1.27   1.92) =   0.808%  kept
          QD1   LEU  104 - QD    PHE   95  10.26 +/- 1.61   1.848% *  0.1006% (0.84  1.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - QD    PHE   95  12.62 +/- 2.03   1.422% *  0.1181% (0.98  1.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - QD    PHE   95  11.25 +/- 2.09   1.614% *  0.0452% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 5.26 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 = 0.653, support = 0.705, residual support = 0.843:
        T QG1   VAL   42 - QD    PHE   95   4.80 +/- 1.50  46.851% * 72.0127% (0.65 10.00   0.75   0.94) =  88.544%  kept
        T QB    ALA   47 - QD    PHE   95   8.97 +/- 1.63  15.704% * 20.9573% (0.76 10.00   0.18   0.02) =   8.637%  kept
          QB    ALA   64 - QD    PHE   95   7.67 +/- 1.00  15.187% *  6.9384% (0.53  1.00   0.89   0.31) =   2.765%  kept
          HG2   LYS+ 112 - QD    PHE   95   7.44 +/- 2.22  22.258% *  0.0916% (0.31  1.00   0.02   4.12) =   0.054%
    Distance limit 4.96 A violated in 1 structures by 0.19 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.695, support = 4.61, residual support = 13.9:
          HA    ILE  119 - HD2   HIS  122   2.61 +/- 0.96  71.224% * 59.3533% (0.73   4.74  16.05) =  80.274%  kept
          HA    THR  118 - HD2   HIS  122   4.96 +/- 0.67  26.045% * 39.8721% (0.57   4.09   4.95) =  19.719%  kept
          HD3   PRO   58 - HD2   HIS  122  11.48 +/- 2.44   1.394% *  0.1063% (0.31   0.02   0.02) =   0.003%
          HA    VAL   75 - HD2   HIS  122  17.33 +/- 1.94   0.505% *  0.1951% (0.57   0.02   0.02) =   0.002%
          HA2   GLY  109 - HD2   HIS  122  16.60 +/- 2.22   0.480% *  0.0958% (0.28   0.02   0.02) =   0.001%
          HB2   TRP   49 - HD2   HIS  122  23.80 +/- 2.98   0.155% *  0.2229% (0.65   0.02   0.02) =   0.001%
          HA    ALA   84 - HD2   HIS  122  22.82 +/- 3.13   0.197% *  0.1545% (0.45   0.02   0.02) =   0.001%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (3.47, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 3.88, residual support = 75.8:
      O T HB2   HIS  122 - HD2   HIS  122   3.67 +/- 0.47  94.713% * 99.7225% (0.49  10.0 10.00   3.88  75.84) =  99.994%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.52 +/- 1.01   2.969% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS   22 - HD2   HIS  122  22.54 +/- 4.64   0.986% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HD2   HIS  122  16.60 +/- 2.70   1.333% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.33, residual support = 74.3:
      O T HB3   HIS  122 - HD2   HIS  122   3.18 +/- 0.46  65.068% * 86.1539% (0.97  10.0 10.00   4.32  75.84) =  92.863%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.69 +/- 1.48  31.268% * 13.7757% (0.69   1.0  1.00   4.49  54.62) =   7.135%  kept
          HG2   GLN   30 - HD2   HIS  122  18.32 +/- 4.49   3.464% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HD2   HIS  122  23.39 +/- 2.75   0.200% *  0.0505% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.659, support = 0.0754, residual support = 0.02:
          QB    LYS+ 106 - HD2   HIS  122  12.05 +/- 4.42   7.464% * 40.6853% (0.65   0.15   0.02) =  42.657%  kept
          HB    ILE   56 - HD2   HIS  122  11.81 +/- 2.90  11.239% *  8.2276% (0.98   0.02   0.02) =  12.988%  kept
          HB3   ASP- 105 - HD2   HIS  122   8.93 +/- 5.91  29.148% *  2.8632% (0.34   0.02   0.02) =  11.722%  kept
          HB3   GLN   30 - HD2   HIS  122  17.10 +/- 4.28   8.820% *  7.7485% (0.92   0.02   0.02) =   9.600%  kept
          HB3   PRO   58 - HD2   HIS  122  10.82 +/- 2.87  13.196% *  5.0911% (0.61   0.02   0.02) =   9.437%  kept
          HG3   PRO   68 - HD2   HIS  122  13.87 +/- 4.99  16.012% *  2.0930% (0.25   0.02   0.02) =   4.708%  kept
          HB3   LYS+  38 - HD2   HIS  122  17.95 +/- 4.57   2.136% *  8.3752% (1.00   0.02   0.02) =   2.513%  kept
          HB2   MET   92 - HD2   HIS  122  19.19 +/- 2.80   1.968% *  6.7212% (0.80   0.02   0.02) =   1.858%  kept
          QB    LYS+  33 - HD2   HIS  122  18.11 +/- 3.58   2.890% *  3.7632% (0.45   0.02   0.02) =   1.528%  kept
          HB    ILE  103 - HD2   HIS  122  15.39 +/- 5.28   3.153% *  2.3338% (0.28   0.02   0.02) =   1.034%  kept
          HG2   ARG+  54 - HD2   HIS  122  18.17 +/- 2.94   2.299% *  2.5907% (0.31   0.02   0.02) =   0.836%  kept
          QB    LYS+  81 - HD2   HIS  122  23.98 +/- 2.23   0.841% *  5.0911% (0.61   0.02   0.02) =   0.602%  kept
          HB3   GLN   90 - HD2   HIS  122  24.99 +/- 3.14   0.833% *  4.4162% (0.53   0.02   0.02) =   0.517%  kept
    Distance limit 5.26 A violated in 6 structures by 0.98 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.891, support = 5.93, residual support = 53.4:
          HB2   LYS+ 121 - HD2   HIS  122   3.52 +/- 0.38  72.200% * 68.7794% (0.92   6.04  54.62) =  92.019%  kept
          HB2   LEU  123 - HD2   HIS  122   6.46 +/- 0.57  14.336% * 29.9239% (0.53   4.61  39.06) =   7.949%  kept
          QD    LYS+  65 - HD2   HIS  122  13.43 +/- 2.20   2.066% *  0.2332% (0.95   0.02   0.02) =   0.009%
          QD    LYS+ 102 - HD2   HIS  122  16.24 +/- 5.67   1.654% *  0.1884% (0.76   0.02   0.02) =   0.006%
          QD    LYS+  38 - HD2   HIS  122  17.12 +/- 4.59   1.067% *  0.2460% (1.00   0.02   0.02) =   0.005%
          HG3   PRO   93 - HD2   HIS  122  16.25 +/- 2.62   1.854% *  0.1396% (0.57   0.02   0.02) =   0.005%
          QB    ALA   57 - HD2   HIS  122  11.37 +/- 2.17   3.520% *  0.0380% (0.15   0.02   0.02) =   0.002%
          HB    VAL   83 - HD2   HIS  122  22.69 +/- 4.09   0.391% *  0.2416% (0.98   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   HIS  122  17.06 +/- 2.35   0.914% *  0.0925% (0.38   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HD2   HIS  122  16.43 +/- 2.16   0.972% *  0.0685% (0.28   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  18.26 +/- 2.54   1.027% *  0.0488% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.15 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 = 0.843, support = 4.97, residual support = 54.4:
          HB3   LYS+ 121 - HD2   HIS  122   4.29 +/- 0.77  42.777% * 70.2538% (1.00   4.87  54.62) =  76.135%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.72 +/- 1.33  34.847% * 26.5786% (0.34   5.39  54.62) =  23.464%  kept
          HG    LEU  104 - HD2   HIS  122  12.57 +/- 6.56   6.023% *  2.1617% (1.00   0.15   0.02) =   0.330%  kept
          QD    LYS+  66 - HD2   HIS  122  11.92 +/- 4.33   8.897% *  0.2100% (0.73   0.02   0.02) =   0.047%
          HB3   LYS+ 111 - HD2   HIS  122  14.03 +/- 1.71   1.158% *  0.2790% (0.97   0.02   0.02) =   0.008%
          QG2   THR   26 - HD2   HIS  122  17.38 +/- 4.02   3.443% *  0.0644% (0.22   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HD2   HIS  122  17.39 +/- 2.70   0.761% *  0.2735% (0.95   0.02   0.02) =   0.005%
          HG2   LYS+  65 - HD2   HIS  122  14.53 +/- 2.31   1.277% *  0.0804% (0.28   0.02   0.02) =   0.003%
          HG2   LYS+  33 - HD2   HIS  122  19.25 +/- 4.40   0.816% *  0.0986% (0.34   0.02   0.02) =   0.002%
    Distance limit 5.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.484, support = 2.55, residual support = 10.8:
          QG2   ILE  119 - HD2   HIS  122   4.33 +/- 0.94  41.389% * 38.9738% (0.18  1.00   3.69  16.05) =  62.082%  kept
          QD2   LEU   40 - HD2   HIS  122   8.62 +/- 4.63  19.224% * 45.2012% (1.00  1.00   0.75   2.43) =  33.442%  kept
          QD1   LEU   67 - HD2   HIS  122   9.95 +/- 4.33  16.232% *  5.8890% (1.00  1.00   0.10   0.02) =   3.679%  kept
          QD2   LEU   71 - HD2   HIS  122  12.07 +/- 3.95  15.702% *  0.4955% (0.41  1.00   0.02   0.02) =   0.299%  kept
        T HB    VAL   75 - HD2   HIS  122  15.02 +/- 2.21   1.019% *  6.8242% (0.57 10.00   0.02   0.02) =   0.268%  kept
          QG2   ILE  103 - HD2   HIS  122  11.44 +/- 4.40   3.876% *  1.1633% (0.97  1.00   0.02   0.02) =   0.174%  kept
          HG3   LYS+  74 - HD2   HIS  122  16.75 +/- 2.26   0.715% *  1.0810% (0.90  1.00   0.02   0.02) =   0.030%
          QD1   ILE  103 - HD2   HIS  122  13.32 +/- 3.77   1.843% *  0.3720% (0.31  1.00   0.02   0.02) =   0.026%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.492, support = 4.41, residual support = 38.3:
          QD1   LEU  123 - HD2   HIS  122   4.58 +/- 1.14  40.561% * 51.8361% (0.49   4.60  39.06) =  81.495%  kept
          QD2   LEU  123 - HD2   HIS  122   6.96 +/- 0.72   9.508% * 44.8228% (0.49   3.98  39.06) =  16.518%  kept
          HB3   LEU  104 - HD2   HIS  122  11.23 +/- 6.49  15.696% *  2.8957% (0.84   0.15   0.02) =   1.762%  kept
          QD1   LEU   71 - HD2   HIS  122  12.42 +/- 4.41  15.416% *  0.2252% (0.49   0.02   0.02) =   0.135%  kept
          QG1   VAL   70 - HD2   HIS  122   8.72 +/- 3.82  16.476% *  0.1286% (0.28   0.02   0.02) =   0.082%
          QG1   VAL   18 - HD2   HIS  122  12.89 +/- 2.60   2.344% *  0.0916% (0.20   0.02   0.02) =   0.008%
    Distance limit 5.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.38, residual support = 4.95:
        T QG2   THR  118 - HD2   HIS  122   3.44 +/- 0.39 100.000% *100.0000% (0.69 10.00   1.38   4.95) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.03 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 = 0.835, support = 1.22, residual support = 14.0:
          HB3   LEU   73 - HE3   TRP   27   6.34 +/- 3.83  26.585% * 43.3347% (0.94   1.31  17.39) =  78.962%  kept
          HB    VAL   42 - HE3   TRP   27   9.71 +/- 1.23   3.205% * 31.6722% (0.97   0.92   0.13) =   6.957%  kept
          HG3   LYS+  65 - HN    LEU   67   5.88 +/- 1.10  18.584% *  5.3232% (0.15   1.00   0.29) =   6.780%  kept
          HB2   LEU   80 - HE3   TRP   27  13.24 +/- 8.47  10.545% *  5.4178% (0.17   0.88   6.92) =   3.916%  kept
          HB3   LYS+  74 - HE3   TRP   27   9.17 +/- 2.49   4.650% *  8.6236% (0.31   0.80   0.02) =   2.748%  kept
          HG3   LYS+  33 - HE3   TRP   27   9.15 +/- 1.54   4.015% *  0.6982% (0.99   0.02   0.02) =   0.192%  kept
          QB    LEU   98 - HE3   TRP   27  10.00 +/- 2.69   3.529% *  0.3962% (0.56   0.02   0.02) =   0.096%
          HG3   LYS+ 102 - HE3   TRP   27  15.46 +/- 4.15   1.357% *  0.6459% (0.91   0.02   0.02) =   0.060%
          HG3   LYS+  65 - HE3   TRP   27  14.75 +/- 2.46   1.127% *  0.6859% (0.97   0.02   0.02) =   0.053%
          QB    ALA   12 - HE3   TRP   27  15.77 +/- 2.83   1.124% *  0.5845% (0.83   0.02   0.02) =   0.045%
          HB    VAL   42 - HN    LEU   67   9.00 +/- 2.46   5.004% *  0.1067% (0.15   0.02   0.02) =   0.037%
          HG3   LYS+ 106 - HE3   TRP   27  15.20 +/- 2.87   0.830% *  0.5348% (0.76   0.02   0.02) =   0.030%
          HB2   LYS+ 112 - HE3   TRP   27  21.65 +/- 4.27   0.669% *  0.6070% (0.86   0.02   0.02) =   0.028%
          QB    ALA   84 - HE3   TRP   27  14.58 +/- 5.18   1.816% *  0.1385% (0.20   0.02   0.02) =   0.017%
          HG    LEU   98 - HE3   TRP   27  11.45 +/- 2.97   2.405% *  0.0947% (0.13   0.02   0.02) =   0.016%
          HB3   LYS+  74 - HN    LEU   67  10.16 +/- 2.49   4.549% *  0.0336% (0.05   0.02   0.02) =   0.010%
          HB3   LEU   73 - HN    LEU   67  12.22 +/- 1.03   1.426% *  0.1030% (0.15   0.02   0.02) =   0.010%
          HD3   LYS+ 121 - HE3   TRP   27  19.02 +/- 3.98   0.684% *  0.1946% (0.28   0.02   0.02) =   0.009%
          HB3   PRO   93 - HE3   TRP   27  16.89 +/- 2.02   0.528% *  0.1558% (0.22   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HN    LEU   67  17.25 +/- 2.41   0.597% *  0.1086% (0.15   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    LEU   67  14.09 +/- 2.36   1.041% *  0.0616% (0.09   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    LEU   67  18.02 +/- 3.86   0.692% *  0.0909% (0.13   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HN    LEU   67  17.29 +/- 1.87   0.558% *  0.0944% (0.13   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LEU   67  18.14 +/- 3.50   0.527% *  0.0832% (0.12   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    LEU   67  16.43 +/- 3.87   1.048% *  0.0303% (0.04   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   67  21.91 +/- 2.43   0.258% *  0.1005% (0.14   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    LEU   67  15.20 +/- 2.36   0.885% *  0.0242% (0.03   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   67  15.85 +/- 2.98   0.833% *  0.0147% (0.02   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   67  18.10 +/- 2.44   0.474% *  0.0215% (0.03   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  19.07 +/- 2.61   0.456% *  0.0191% (0.03   0.02   0.02) =   0.001%
    Distance limit 5.47 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    244
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    184
      with given assignment possibilities    :      0
      with unique volume contribution        :     77
      with multiple volume contributions     :    127
      eliminated by violation filter         :      8
 
    Peaks:
      selected                               :    244
      without assignment                     :     21
      with assignment                        :    223
      with unique assignment                 :    106
      with multiple assignment               :    117
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    191
 
    Atoms with eliminated volume contribution > 2.5: