- 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 = 0.942, support = 3.34, residual support = 47.2:
      O   HA    MET   11 - HN    MET   11   2.75 +/- 0.20  80.054% * 91.9933% (0.95  10.0   3.36  47.76) =  98.376%  kept
          HA    ALA   12 - HN    MET   11   4.98 +/- 0.56  16.322% *  7.4357% (0.73   1.0   2.11  11.90) =   1.621%  kept
          HA    GLU-  14 - HN    MET   11  10.82 +/- 0.98   1.427% *  0.0590% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    MET   11  27.95 +/- 5.79   0.280% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  30.39 +/- 6.60   0.245% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  29.13 +/- 7.74   0.558% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  26.61 +/- 5.13   0.175% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  20.34 +/- 4.26   0.346% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  35.51 +/- 6.61   0.079% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  34.15 +/- 6.78   0.092% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  28.92 +/- 6.27   0.227% *  0.0242% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  33.16 +/- 8.01   0.195% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.574, support = 2.78, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.78 +/- 0.21  43.614% * 68.6590% (0.71  10.0   2.38  12.47) =  64.239%  kept
      O   HA    MET   11 - HN    ALA   12   2.61 +/- 0.28  53.671% * 31.0568% (0.32  10.0   3.50  11.90) =  35.758%  kept
          HA    GLU-  14 - HN    ALA   12   8.20 +/- 0.67   1.841% *  0.0691% (0.72   1.0   0.02   0.02) =   0.003%
          HA    LEU  104 - HN    ALA   12  27.70 +/- 6.14   0.198% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  26.66 +/- 5.85   0.396% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  33.18 +/- 6.41   0.065% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  25.45 +/- 4.24   0.092% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  29.38 +/- 5.33   0.084% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  34.62 +/- 5.88   0.040% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.137, support = 1.72, residual support = 5.2:
      O   HA    ALA   12 - HN    SER   13   2.53 +/- 0.43  85.043% * 87.3487% (0.14  10.0   1.72   5.17) =  97.958%  kept
          HA    GLU-  14 - HN    SER   13   5.05 +/- 0.56  14.027% * 11.0110% (0.20   1.0   1.48   6.63) =   2.037%  kept
          HA    TRP   87 - HN    SER   13  30.16 +/- 5.46   0.201% *  0.7353% (0.98   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    SER   13  22.32 +/- 4.54   0.250% *  0.3947% (0.53   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    SER   13  25.34 +/- 5.02   0.241% *  0.3947% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    SER   13  30.82 +/- 6.15   0.238% *  0.1157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 6.46:
      O   QB    SER   13 - HN    SER   13   3.00 +/- 0.35  96.765% * 99.5044% (0.87  10.0   2.06   6.46) =  99.996%  kept
          HB3   SER   37 - HN    SER   13  16.23 +/- 3.85   1.371% *  0.1124% (0.98   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    SER   13  16.60 +/- 3.54   1.138% *  0.1029% (0.90   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   13  25.28 +/- 5.87   0.297% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  30.63 +/- 4.68   0.166% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  29.27 +/- 6.82   0.263% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.4:
      O   HA    GLN   17 - HN    VAL   18   2.48 +/- 0.15  89.227% * 99.5491% (0.81  10.0   5.47  50.42) =  99.995%  kept
          HA    SER   13 - HN    VAL   18  10.27 +/- 2.42   4.403% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    VAL   18   7.56 +/- 0.44   3.411% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    VAL   18  15.16 +/- 5.44   0.900% *  0.1100% (0.89   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   18  18.11 +/- 4.74   0.449% *  0.0995% (0.81   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  19.36 +/- 6.34   0.393% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  15.73 +/- 4.46   0.832% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  21.02 +/- 4.46   0.249% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  25.68 +/- 7.16   0.135% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.363, support = 5.55, residual support = 75.2:
      O   HA    VAL   18 - HN    VAL   18   2.88 +/- 0.03  84.311% * 86.1984% (0.36  10.0   5.59  76.25) =  98.656%  kept
          HA1   GLY   16 - HN    VAL   18   6.52 +/- 0.34   7.556% * 12.9239% (0.43   1.0   2.51   0.02) =   1.326%  kept
          HA    VAL   70 - HN    VAL   18  12.57 +/- 5.05   4.081% *  0.1992% (0.84   1.0   0.02   0.02) =   0.011%
          HB2   SER   37 - HN    VAL   18  16.28 +/- 5.34   1.132% *  0.1839% (0.77   1.0   0.02   0.02) =   0.003%
          HA    GLU-  29 - HN    VAL   18  14.85 +/- 3.25   1.250% *  0.0944% (0.40   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   18  19.36 +/- 4.00   0.536% *  0.1992% (0.84   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    VAL   18  16.32 +/- 3.46   0.644% *  0.1300% (0.55   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  25.12 +/- 8.87   0.490% *  0.0709% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.1, residual support = 6.57:
      O   HA    SER   13 - HN    GLU-  14   2.43 +/- 0.20  84.769% * 89.9641% (0.67  10.0   2.10   6.63) =  98.793%  kept
          HA    GLU-  15 - HN    GLU-  14   5.26 +/- 0.58   9.661% *  9.6063% (0.67   1.0   2.14   1.63) =   1.202%  kept
          HA    GLN   17 - HN    GLU-  14   8.22 +/- 1.25   3.082% *  0.0677% (0.51   1.0   0.02   0.02) =   0.003%
          HA    SER   37 - HN    GLU-  14  16.13 +/- 4.57   0.718% *  0.0677% (0.51   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLU-  14  17.12 +/- 3.24   0.496% *  0.0779% (0.58   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  14  21.57 +/- 4.24   0.184% *  0.0882% (0.66   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  23.90 +/- 8.31   0.632% *  0.0208% (0.16   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  25.39 +/- 3.90   0.098% *  0.0746% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  19.44 +/- 3.07   0.255% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.41 +/- 3.85   0.106% *  0.0144% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 3.68, residual support = 17.6:
          HN    GLN   17 - HN    GLY   16   2.41 +/- 0.14  95.251% * 87.0046% (0.13   3.68  17.60) =  99.897%  kept
          HE3   TRP   87 - HN    GLY   16  24.98 +/- 7.19   0.901% *  3.2243% (0.90   0.02   0.02) =   0.035%
          HN    ALA   61 - HN    GLY   16  17.94 +/- 4.41   0.776% *  3.4620% (0.97   0.02   0.02) =   0.032%
          HN    TRP   27 - HN    GLY   16  15.05 +/- 2.47   0.552% *  2.3993% (0.67   0.02   0.02) =   0.016%
          HN    THR   39 - HN    GLY   16  14.11 +/- 6.16   2.420% *  0.5389% (0.15   0.02   0.02) =   0.016%
          HN    ALA   91 - HN    GLY   16  28.75 +/- 6.32   0.099% *  3.3709% (0.94   0.02   0.02) =   0.004%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.68, residual support = 17.6:
        T HN    GLY   16 - HN    GLN   17   2.41 +/- 0.14  99.528% * 99.8536% (1.00 10.00   3.68  17.60) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  23.22 +/- 4.27   0.192% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  26.06 +/- 8.45   0.280% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.496, support = 2.1, residual support = 5.95:
      O   HA    GLU-  15 - HN    GLY   16   2.46 +/- 0.27  81.317% * 75.0980% (0.47  10.0   2.06   5.43) =  95.716%  kept
          HA    GLN   17 - HN    GLY   16   4.92 +/- 0.09  11.228% * 24.2785% (0.97   1.0   3.18  17.60) =   4.273%  kept
          HA    SER   37 - HN    GLY   16  15.22 +/- 6.84   2.078% *  0.1529% (0.97   1.0   0.02   0.02) =   0.005%
          HA    SER   13 - HN    GLY   16   8.40 +/- 0.81   2.867% *  0.0751% (0.47   1.0   0.02   0.02) =   0.003%
          HA    VAL   42 - HN    GLY   16  16.86 +/- 5.40   0.667% *  0.1060% (0.67   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLY   16  14.86 +/- 5.14   1.111% *  0.0476% (0.30   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLY   16  19.45 +/- 4.20   0.449% *  0.0692% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  23.40 +/- 5.95   0.174% *  0.1489% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  24.98 +/- 4.27   0.109% *  0.0238% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.818, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.62 +/- 0.18  44.074% * 12.6997% (0.90   0.02   0.02) =  50.901%  kept
          HA    GLU-  29 - HN    GLY   16  14.39 +/- 4.51  11.947% * 12.3380% (0.87   0.02   0.02) =  13.404%  kept
          HA    LYS+  33 - HN    GLY   16  14.30 +/- 5.36  11.223% * 10.5138% (0.75   0.02   0.02) =  10.731%  kept
          HA    VAL   70 - HN    GLY   16  13.47 +/- 5.19  14.873% *  6.1679% (0.44   0.02   0.02) =   8.342%  kept
          HA    GLN   32 - HN    GLY   16  15.24 +/- 4.93   7.517% *  9.4500% (0.67   0.02   0.02) =   6.460%  kept
          HB2   SER   82 - HN    GLY   16  27.41 +/- 9.04   3.929% * 13.2768% (0.94   0.02   0.02) =   4.744%  kept
          HA    ALA   88 - HN    GLY   16  29.63 +/- 7.32   2.560% *  9.9899% (0.71   0.02   0.02) =   2.326%  kept
          HA    SER   48 - HN    GLY   16  25.97 +/- 7.09   1.470% * 12.6997% (0.90   0.02   0.02) =   1.698%  kept
          HA    GLN  116 - HN    GLY   16  22.52 +/- 3.65   1.483% *  6.1679% (0.44   0.02   0.02) =   0.832%  kept
          HD2   PRO   52 - HN    GLY   16  27.07 +/- 4.99   0.924% *  6.6964% (0.47   0.02   0.02) =   0.562%  kept
    Distance limit 3.51 A violated in 20 structures by 2.77 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.977, support = 5.17, residual support = 83.4:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.02  54.695% * 95.6060% (0.99  10.0   5.27  85.76) =  97.215%  kept
          HA    GLU-  15 - HN    GLN   17   3.34 +/- 0.33  37.303% *  4.0042% (0.49   1.0   1.71   0.02) =   2.777%  kept
          HA    SER   13 - HN    GLN   17   8.08 +/- 1.42   4.414% *  0.0470% (0.49   1.0   0.02   0.02) =   0.004%
          HA    SER   37 - HN    GLN   17  16.02 +/- 5.84   1.125% *  0.0956% (0.99   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    GLN   17  16.16 +/- 5.17   0.714% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLN   17  14.89 +/- 4.53   0.842% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  18.13 +/- 3.90   0.546% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  21.96 +/- 5.82   0.217% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  23.62 +/- 4.00   0.144% *  0.0149% (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 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 85.8:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  95.719% * 99.1229% (0.70  10.0 10.00   1.00  85.76) =  99.996%  kept
          HN    LEU  123 - HE22  GLN   17  22.10 +/- 7.27   2.326% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HN    ALA  124 - HE22  GLN   17  23.72 +/- 8.18   1.020% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.001%
        T HE21  GLN   17 - HE22  GLN   32  19.60 +/- 5.61   0.164% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HN    ALA  120 - HE22  GLN   17  22.64 +/- 6.29   0.533% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  30.96 +/-10.35   0.129% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  29.13 +/- 8.46   0.073% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  29.69 +/- 6.47   0.038% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 85.8:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  99.327% * 99.4952% (0.63  10.0   1.00  85.76) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN   17  19.66 +/- 5.72   0.344% *  0.1524% (0.48   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HE21  GLN   17  23.94 +/- 5.69   0.125% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  19.60 +/- 5.61   0.170% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  32.40 +/- 7.75   0.034% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.281, support = 3.34, residual support = 22.2:
      O   HA1   GLY   16 - HN    GLN   17   3.23 +/- 0.07  66.556% * 63.2346% (0.22  10.0   3.26  17.60) =  86.040%  kept
          HA    VAL   18 - HN    GLN   17   4.93 +/- 0.20  19.211% * 35.3928% (0.65   1.0   3.85  50.42) =  13.901%  kept
          HA    VAL   70 - HN    GLN   17  12.90 +/- 4.86   3.139% *  0.2834% (1.00   1.0   0.02   0.02) =   0.018%
          HA    GLU-  29 - HN    GLN   17  14.17 +/- 4.17   4.114% *  0.1951% (0.69   1.0   0.02   0.02) =   0.016%
          HB2   SER   37 - HN    GLN   17  14.55 +/- 6.35   4.245% *  0.1494% (0.53   1.0   0.02   0.02) =   0.013%
          HA    LYS+  33 - HN    GLN   17  14.76 +/- 4.45   1.311% *  0.2372% (0.84   1.0   0.02   0.02) =   0.006%
          HB2   SER   82 - HN    GLN   17  26.41 +/- 8.91   0.800% *  0.1608% (0.57   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    GLN   17  21.52 +/- 3.49   0.308% *  0.2834% (1.00   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    GLN   17  24.43 +/- 7.08   0.315% *  0.0632% (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 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.33, residual support = 5.02:
          HA    LEU   73 - HN    ILE   19   9.19 +/- 8.90 100.000% *100.0000% (0.87   2.33   5.02) = 100.000%  kept
    Distance limit 3.70 A violated in 10 structures by 5.92 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.646, support = 4.58, residual support = 21.5:
      O   HA    VAL   18 - HN    ILE   19   2.24 +/- 0.08  93.945% * 93.3833% (0.65  10.0   4.59  21.56) =  99.905%  kept
          HA    VAL   70 - HN    ILE   19  12.10 +/- 4.53   1.328% *  6.0310% (1.00   1.0   0.84   0.02) =   0.091%
          HA    GLU-  29 - HN    ILE   19  12.29 +/- 2.22   0.815% *  0.0992% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   19  14.19 +/- 3.21   0.521% *  0.1206% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.36 +/- 0.57   1.901% *  0.0321% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    ILE   19  14.97 +/- 4.95   0.692% *  0.0759% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  19.21 +/- 3.19   0.208% *  0.1440% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  23.04 +/- 9.36   0.338% *  0.0817% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  21.21 +/- 7.20   0.253% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 5.76, residual support = 124.1:
      O   HA    ILE   19 - HN    ILE   19   2.92 +/- 0.03  91.316% * 99.7071% (0.87  10.0   5.76 124.11) =  99.994%  kept
          HA    GLU-  25 - HN    ILE   19  12.53 +/- 2.91   4.254% *  0.0744% (0.65   1.0   0.02   0.02) =   0.003%
          HA    THR   26 - HN    ILE   19  10.24 +/- 1.87   3.153% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HA    CYS   53 - HN    ILE   19  19.93 +/- 3.82   0.446% *  0.1147% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ILE   19  22.47 +/- 4.06   0.398% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  24.07 +/- 8.79   0.433% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.08, residual support = 20.3:
      O   HA    ILE   19 - HN    ALA   20   2.24 +/- 0.06  89.157% * 99.7374% (0.97  10.0   5.08  20.35) =  99.992%  kept
          HA    GLU-  25 - HN    ALA   20  10.84 +/- 3.49   6.076% *  0.0828% (0.80   1.0   0.02   0.02) =   0.006%
          HA    THR   26 - HN    ALA   20   8.78 +/- 2.40   4.016% *  0.0388% (0.38   1.0   0.02   0.15) =   0.002%
          HA    CYS   53 - HN    ALA   20  19.41 +/- 3.69   0.289% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  22.55 +/- 7.95   0.231% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  23.14 +/- 5.02   0.232% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.02, residual support = 14.9:
      O   HA    ALA   20 - HN    ALA   20   2.90 +/- 0.03  97.153% * 99.9455% (0.97  10.0   3.02  14.85) =  99.998%  kept
          HA    LEU   71 - HN    ALA   20  12.33 +/- 4.62   2.847% *  0.0545% (0.53   1.0   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 3.99, residual support = 9.06:
        T HN    LYS+  74 - HN    CYS   21   8.61 +/- 8.62  41.972% * 99.2410% (0.76 10.00   4.00   9.07) =  99.875%  kept
        T HN    LYS+  74 - HN    ILE  119  17.83 +/- 3.73  11.465% *  0.3136% (0.24 10.00   0.02   0.02) =   0.086%
          HN    MET   11 - HN    CYS   21  18.69 +/- 6.05   7.038% *  0.0534% (0.41  1.00   0.02   0.02) =   0.009%
          HN    THR   46 - HN    CYS   21  15.72 +/- 6.51   2.880% *  0.1299% (1.00  1.00   0.02   0.02) =   0.009%
          HN    LYS+ 112 - HN    ILE  119  10.74 +/- 0.67  19.038% *  0.0102% (0.08  1.00   0.02   0.02) =   0.005%
          HN    THR   46 - HN    ILE  119  16.42 +/- 1.21   4.717% *  0.0410% (0.32  1.00   0.02   0.02) =   0.005%
          HN    MET   92 - HN    CYS   21  20.75 +/- 5.62   1.194% *  0.1228% (0.95  1.00   0.02   0.02) =   0.004%
          HN    MET   92 - HN    ILE  119  18.21 +/- 1.77   3.580% *  0.0388% (0.30  1.00   0.02   0.02) =   0.003%
          HN    LYS+ 112 - HN    CYS   21  22.28 +/- 3.26   3.070% *  0.0324% (0.25  1.00   0.02   0.02) =   0.002%
          HN    MET   11 - HN    ILE  119  28.96 +/- 7.75   5.046% *  0.0169% (0.13  1.00   0.02   0.02) =   0.002%
    Distance limit 3.98 A violated in 5 structures by 4.96 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.52, residual support = 17.1:
      O   HA    ALA   20 - HN    CYS   21   2.24 +/- 0.05  97.471% * 99.8901% (0.95  10.0   3.52  17.12) =  99.999%  kept
          HA    LEU   71 - HN    CYS   21  13.12 +/- 5.50   1.118% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  19.33 +/- 4.53   0.315% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  17.03 +/- 4.25   0.776% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.91 +/- 2.98   0.147% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  20.11 +/- 3.85   0.174% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.83, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.76 +/- 0.06  98.143% * 99.8043% (0.83  10.0   3.83  40.99) =  99.999%  kept
          HA    SER  117 - HN    ASP-  62  13.03 +/- 1.46   1.114% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    ASP-  62  18.79 +/- 3.79   0.580% *  0.1025% (0.85   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    ASP-  62  24.05 +/- 2.29   0.163% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.522, support = 1.5, residual support = 6.04:
          HA    PHE   59 - HN    ASP-  62   3.93 +/- 0.34  81.313% * 92.4913% (0.52   1.50   6.06) =  99.674%  kept
          HA    ILE   56 - HN    ASP-  62   8.17 +/- 0.90  10.959% *  1.2332% (0.52   0.02   0.02) =   0.179%  kept
          HA    ASP- 113 - HN    ASP-  62  12.79 +/- 1.81   2.839% *  2.0287% (0.86   0.02   0.02) =   0.076%
          HA    LYS+  99 - HN    ASP-  62  17.11 +/- 2.55   1.339% *  1.6281% (0.69   0.02   0.02) =   0.029%
          HA    LEU  123 - HN    ASP-  62  14.19 +/- 1.60   2.052% *  0.9897% (0.42   0.02   0.02) =   0.027%
          HA    ASN   35 - HN    ASP-  62  21.27 +/- 2.49   0.656% *  1.3153% (0.56   0.02   0.02) =   0.011%
          HA    TRP   87 - HN    ASP-  62  20.92 +/- 3.37   0.841% *  0.3137% (0.13   0.02   0.02) =   0.003%
    Distance limit 3.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.31, residual support = 21.6:
          HN    THR   23 - HN    HIS   22   2.76 +/- 0.90  90.401% * 97.2592% (0.69   3.31  21.63) =  99.929%  kept
          HE3   TRP   27 - HN    HIS   22   8.41 +/- 1.15   5.263% *  0.8532% (1.00   0.02   0.02) =   0.051%
          QE    PHE   95 - HN    HIS   22  16.13 +/- 3.09   1.019% *  0.6209% (0.73   0.02   0.02) =   0.007%
          QD    PHE   55 - HN    HIS   22  19.55 +/- 4.85   0.717% *  0.8532% (1.00   0.02   0.02) =   0.007%
          HN    LYS+  81 - HN    HIS   22  17.41 +/- 9.00   1.773% *  0.1497% (0.18   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    HIS   22  16.48 +/- 3.33   0.827% *  0.2639% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 1.09, residual support = 6.1:
          HA    ALA   20 - HN    HIS   22   4.84 +/- 0.21  93.227% * 98.9138% (0.95   1.09   6.10) =  99.964%  kept
          HA    LEU   71 - HN    HIS   22  14.69 +/- 3.43   4.797% *  0.4290% (0.22   0.02   0.02) =   0.022%
          HA    LYS+ 102 - HN    HIS   22  21.74 +/- 4.00   1.976% *  0.6572% (0.34   0.02   0.02) =   0.014%
    Distance limit 3.91 A violated in 0 structures by 0.92 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.67, residual support = 12.8:
        T HN    THR   26 - HN    THR   23   4.35 +/- 0.51  77.329% * 97.9459% (0.69 10.00   3.68  12.84) =  99.531%  kept
          HN    LEU   80 - HN    THR   23  14.01 +/- 9.28  18.282% *  1.9378% (0.34  1.00   0.80   0.77) =   0.466%  kept
          HN    CYS   53 - HN    THR   23  21.22 +/- 4.64   1.639% *  0.0807% (0.57  1.00   0.02   0.02) =   0.002%
          HN    ALA   34 - HN    THR   23  13.99 +/- 1.01   2.751% *  0.0356% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.14 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 21.6:
        T HN    HIS   22 - HN    THR   23   2.76 +/- 0.90  87.839% * 98.6639% (0.99 10.00   3.31  21.63) =  99.813%  kept
          HN    ASP-  76 - HN    THR   23  12.04 +/- 7.96  12.161% *  1.3361% (0.95  1.00   0.28   0.02) =   0.187%  kept
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 7.42, residual support = 33.4:
        T HN    GLU-  25 - HN    VAL   24   2.84 +/- 0.19  88.698% * 95.6243% (0.98 10.00   7.45  33.47) =  99.492%  kept
          HN    ASN   28 - HN    VAL   24   6.00 +/- 0.28  10.093% *  4.2790% (0.41  1.00   2.13  15.74) =   0.507%  kept
          HN    ASP-  44 - HN    VAL   24  14.29 +/- 2.65   1.209% *  0.0967% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.45, residual support = 33.5:
        T HN    VAL   24 - HN    GLU-  25   2.84 +/- 0.19 100.000% *100.0000% (1.00 10.00   7.45  33.47) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.43, residual support = 32.0:
        T HN    THR   26 - HN    GLU-  25   2.84 +/- 0.12  99.482% * 99.9840% (0.97 10.00   5.43  32.03) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.53 +/- 2.17   0.518% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.968, support = 5.38, residual support = 31.3:
        T HN    GLU-  25 - HN    THR   26   2.84 +/- 0.12  75.019% * 93.4686% (0.98 10.00   5.43  32.03) =  97.813%  kept
          HN    ASN   28 - HN    THR   26   4.21 +/- 0.27  24.348% *  6.4369% (0.41  1.00   3.28   0.40) =   2.186%  kept
          HN    ASP-  44 - HN    THR   26  15.60 +/- 2.98   0.633% *  0.0945% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.46, residual support = 22.7:
          HN    TRP   27 - HN    THR   26   2.45 +/- 0.12  97.542% * 98.4573% (0.99   4.46  22.69) =  99.995%  kept
          HD1   TRP   87 - HN    THR   26  18.77 +/- 6.14   0.426% *  0.2701% (0.61   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  19.41 +/- 3.71   0.365% *  0.3059% (0.69   0.02   0.02) =   0.001%
          HN    THR   39 - HN    THR   26  16.46 +/- 1.22   0.345% *  0.2881% (0.65   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  22.54 +/- 4.62   0.216% *  0.3403% (0.76   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    THR   26  15.48 +/- 0.84   0.414% *  0.1110% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  20.13 +/- 4.64   0.259% *  0.1671% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.41 +/- 4.47   0.432% *  0.0603% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 3.61, residual support = 13.5:
          HN    THR   23 - HN    THR   26   4.35 +/- 0.51  64.053% * 66.6216% (0.97   3.68  12.84) =  90.601%  kept
          HE3   TRP   27 - HN    THR   26   7.57 +/- 0.33  13.426% * 29.4596% (0.49   3.23  22.69) =   8.397%  kept
          HD2   HIS   22 - HN    THR   26   7.61 +/- 1.46  16.803% *  2.7268% (0.45   0.32   0.02) =   0.973%  kept
          HN    LEU   67 - HN    THR   26  18.09 +/- 3.30   1.427% *  0.3463% (0.92   0.02   0.02) =   0.010%
          QE    PHE   95 - HN    THR   26  18.57 +/- 2.45   1.064% *  0.3549% (0.95   0.02   0.02) =   0.008%
          HD1   TRP   49 - HN    THR   26  24.16 +/- 5.42   0.902% *  0.2276% (0.61   0.02   0.02) =   0.004%
          QD    PHE   55 - HN    THR   26  22.83 +/- 4.43   0.887% *  0.2124% (0.57   0.02   0.02) =   0.004%
          HD21  ASN   35 - HN    THR   26  15.99 +/- 1.37   1.438% *  0.0508% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.883, support = 4.53, residual support = 68.0:
          HE3   TRP   27 - HN    TRP   27   5.17 +/- 0.31  33.497% * 70.5760% (1.00   5.33 107.20) =  63.036%  kept
          HN    THR   23 - HN    TRP   27   4.56 +/- 0.39  48.250% * 28.7108% (0.69   3.15   1.13) =  36.938%  kept
          QE    PHE   95 - HN    TRP   27  16.89 +/- 2.29   1.320% *  0.1926% (0.73   0.02   0.02) =   0.007%
          QD    PHE   55 - HN    TRP   27  21.56 +/- 3.97   0.860% *  0.2647% (1.00   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    TRP   27  16.52 +/- 8.74   3.643% *  0.0465% (0.18   0.02   0.02) =   0.005%
          HN    LEU   67 - HN    TRP   27  16.44 +/- 3.06   1.771% *  0.0819% (0.31   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    ALA   91  11.34 +/- 0.85   3.473% *  0.0238% (0.09   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    ALA   91  16.47 +/- 3.17   1.596% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    ALA   91  18.41 +/- 3.87   0.970% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    THR   23 - HN    ALA   91  20.33 +/- 5.10   0.982% *  0.0225% (0.08   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   91  11.96 +/- 1.08   2.947% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  21.14 +/- 3.49   0.693% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.23 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.46, residual support = 22.7:
        T HN    THR   26 - HN    TRP   27   2.45 +/- 0.12  99.001% * 99.8587% (0.97 10.00   4.46  22.69) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  22.54 +/- 4.62   0.220% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.10 +/- 1.96   0.619% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  21.75 +/- 2.19   0.160% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.74, residual support = 32.1:
        T HN    GLN   90 - HN    ALA   91   2.67 +/- 0.47  93.214% * 91.0962% (0.12 10.00   6.75  32.14) =  99.953%  kept
        T HN    GLN   90 - HN    TRP   27  20.45 +/- 4.95   0.389% *  7.3725% (0.95 10.00   0.02   0.02) =   0.034%
          HN    ILE  103 - HN    TRP   27  18.53 +/- 4.24   0.694% *  0.7794% (1.00  1.00   0.02   0.02) =   0.006%
          HN    SER   82 - HN    TRP   27  16.79 +/- 9.23   2.090% *  0.1735% (0.22  1.00   0.02   0.02) =   0.004%
          HN    GLY  109 - HN    ALA   91  11.63 +/- 2.43   1.863% *  0.0507% (0.07  1.00   0.02   0.02) =   0.001%
          HN    GLY  109 - HN    TRP   27  23.41 +/- 2.35   0.181% *  0.4100% (0.53  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    ALA   91  19.77 +/- 2.48   0.333% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.35 +/- 1.05   1.235% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 5.2, residual support = 49.8:
        T HN    ASN   28 - HN    TRP   27   2.77 +/- 0.14  72.372% * 94.7812% (0.99 10.00   5.24  50.65) =  98.256%  kept
          HN    GLU-  25 - HN    TRP   27   4.04 +/- 0.22  24.333% *  5.0008% (0.38  1.00   2.79   0.49) =   1.743%  kept
          HN    ASP-  44 - HN    TRP   27  13.49 +/- 2.99   0.942% *  0.0393% (0.41  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    TRP   27  16.96 +/- 3.33   0.652% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  21.35 +/- 4.71   0.257% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.26 +/- 1.36   0.953% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  21.65 +/- 4.95   0.345% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  23.46 +/- 2.87   0.147% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.35, residual support = 107.2:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  96.830% * 99.6433% (0.76  10.0   2.35 107.20) =  99.996%  kept
          HE21  GLN   30 - HE1   TRP   27   9.91 +/- 1.12   2.079% *  0.1292% (0.99   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HE1   TRP   27  16.98 +/- 3.87   0.838% *  0.0996% (0.76   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HE1   TRP   27  22.79 +/- 4.24   0.253% *  0.1278% (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 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.8, residual support = 107.2:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  98.236% * 99.8792% (0.45  10.0   1.80 107.20) =  99.998%  kept
          HZ    PHE   72 - HE1   TRP   27  13.28 +/- 2.55   1.764% *  0.1208% (0.49   1.0   0.02   0.12) =   0.002%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.939, support = 5.08, residual support = 29.5:
          HN    GLU-  29 - HN    ASN   28   2.85 +/- 0.08  67.283% * 56.8253% (0.98   5.22  32.93) =  77.289%  kept
          HN    GLN   30 - HN    ASN   28   3.88 +/- 0.23  27.342% * 40.8684% (0.80   4.60  17.73) =  22.589%  kept
          HN    GLU-  14 - HN    ASN   28  15.88 +/- 5.15   2.842% *  2.0536% (0.22   0.83   0.02) =   0.118%  kept
          HN    ASP-  86 - HN    ASN   28  17.74 +/- 7.70   0.776% *  0.1926% (0.87   0.02   0.02) =   0.003%
          HN    VAL   18 - HN    ASN   28  13.86 +/- 2.88   0.960% *  0.0300% (0.14   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    ASN   28  21.25 +/- 6.21   0.797% *  0.0300% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.24, residual support = 50.6:
          HN    TRP   27 - HN    ASN   28   2.77 +/- 0.14  94.864% * 98.6844% (0.99   5.24  50.65) =  99.990%  kept
          HD1   TRP   87 - HN    ASN   28  16.69 +/- 6.46   1.118% *  0.2303% (0.61   0.02   0.02) =   0.003%
          HN    THR   39 - HN    ASN   28  13.90 +/- 1.04   0.816% *  0.2457% (0.65   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    ASN   28  18.90 +/- 3.23   0.564% *  0.2608% (0.69   0.02   0.02) =   0.002%
          HN    ALA   91 - HN    ASN   28  21.35 +/- 4.71   0.336% *  0.2902% (0.76   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    ASN   28  12.85 +/- 0.48   0.987% *  0.0947% (0.25   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    ASN   28  17.67 +/- 5.02   0.627% *  0.1425% (0.38   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  17.29 +/- 3.98   0.687% *  0.0514% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.418, support = 5.27, residual support = 50.0:
          HD1   TRP   27 - HN    ASN   28   2.84 +/- 0.55  91.734% * 79.6609% (0.41   5.36  50.65) =  98.034%  kept
          HE21  GLN   30 - HN    ASN   28   7.86 +/- 1.37   7.548% * 19.3748% (0.76   0.70  17.73) =   1.962%  kept
          HH2   TRP   49 - HN    ASN   28  25.07 +/- 4.27   0.264% *  0.6672% (0.92   0.02   0.02) =   0.002%
          QD    PHE   59 - HN    ASN   28  18.69 +/- 3.88   0.455% *  0.2971% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 105.7:
          HD22  ASN   28 - HN    ASN   28   2.06 +/- 0.28  99.227% * 99.9333% (0.92   5.68 105.75) =  99.999%  kept
          QE    PHE   72 - HN    ASN   28  12.34 +/- 2.16   0.773% *  0.0667% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.85 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 = 105.7:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.513% * 99.9543% (0.98  10.0   2.90 105.75) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  12.58 +/- 2.37   0.487% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.36, residual support = 3.8:
          HA    GLU-  25 - HD21  ASN   28   4.69 +/- 0.33  70.939% * 96.8306% (1.00   1.37   3.81) =  99.531%  kept
          HA    ILE   19 - HD21  ASN   28  12.10 +/- 3.26  16.551% *  1.3395% (0.95   0.02   0.02) =   0.321%  kept
          HA    SER   82 - HD21  ASN   28  15.95 +/- 9.67  11.862% *  0.8017% (0.57   0.02   0.02) =   0.138%  kept
          HA    CYS   53 - HD21  ASN   28  23.25 +/- 3.10   0.648% *  1.0282% (0.73   0.02   0.02) =   0.010%
    Distance limit 4.37 A violated in 0 structures by 0.29 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 5.91, residual support = 101.7:
      O   HA    ASN   28 - HN    ASN   28   2.71 +/- 0.04  77.974% * 85.5123% (0.84  10.0   5.98 105.75) =  96.123%  kept
          HA    THR   26 - HN    ASN   28   4.36 +/- 0.20  19.130% * 14.0467% (0.65   1.0   4.24   0.40) =   3.874%  kept
          HA    ALA   34 - HN    ASN   28  11.47 +/- 0.46   1.048% *  0.0988% (0.97   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ASN   28  16.31 +/- 3.95   0.668% *  0.1021% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASN   28  22.32 +/- 4.19   0.238% *  0.0888% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  25.74 +/- 4.67   0.157% *  0.0968% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  28.23 +/- 9.25   0.630% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  24.41 +/- 4.11   0.154% *  0.0316% (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 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 5.13, residual support = 99.7:
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.04  52.757% * 90.4766% (0.97  10.0   5.31 107.20) =  91.944%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.02  45.083% *  9.2758% (0.10  10.0   3.12  14.40) =   8.055%  kept
          HA    ALA   91 - HN    TRP   27  21.30 +/- 4.88   0.290% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.56 +/- 2.69   0.142% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.91 +/- 4.37   0.120% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  16.24 +/- 3.60   0.499% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.11 +/- 1.42   0.353% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  20.53 +/- 4.29   0.183% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  25.07 +/- 3.30   0.085% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  15.13 +/- 2.42   0.487% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.46, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   3.10 +/- 0.27  93.033% * 99.0066% (0.99   4.46  22.69) =  99.988%  kept
          HA    ASP-  62 - HN    TRP   27  17.99 +/- 4.06   1.510% *  0.4320% (0.97   0.02   0.02) =   0.007%
          HA    SER  117 - HN    TRP   27  25.06 +/- 6.26   0.685% *  0.3250% (0.73   0.02   0.02) =   0.002%
          HA    SER   82 - HN    TRP   27  18.39 +/- 8.93   1.653% *  0.0784% (0.18   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  20.35 +/- 4.33   0.563% *  0.0534% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.12 +/- 1.19   1.945% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  22.84 +/- 4.61   0.337% *  0.0548% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  22.26 +/- 1.63   0.274% *  0.0402% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.03 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  22.50 +/- 4.91 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.40 A violated in 20 structures by 18.10 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.358, support = 4.68, residual support = 33.3:
      O   HB    THR   26 - HN    THR   26   2.26 +/- 0.24  75.900% * 21.3631% (0.15  10.0   4.16  34.59) =  50.483%  kept
      O   HA    GLU-  25 - HN    THR   26   3.60 +/- 0.04  20.287% * 78.3875% (0.57  10.0   5.22  32.03) =  49.511%  kept
          HA    ILE   19 - HN    THR   26   9.45 +/- 2.41   2.649% *  0.0472% (0.34   1.0   0.02   0.02) =   0.004%
          HA    SER   82 - HN    THR   26  19.67 +/- 9.20   0.335% *  0.1381% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    THR   26  19.52 +/- 4.36   0.717% *  0.0427% (0.31   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    THR   26  23.67 +/- 3.69   0.113% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.83, support = 2.68, residual support = 5.97:
          HA    THR   23 - HN    GLU-  25   4.00 +/- 0.29  44.334% * 67.4602% (0.98   2.80   5.97) =  67.008%  kept
          HB    THR   23 - HN    GLU-  25   4.01 +/- 0.87  46.509% * 31.6013% (0.53   2.45   5.97) =  32.929%  kept
          HA    LEU   80 - HN    GLU-  25  14.71 +/- 9.78   5.981% *  0.3374% (0.69   0.02   0.02) =   0.045%
          HA    ASP-  78 - HN    GLU-  25  17.97 +/- 6.20   1.023% *  0.4646% (0.95   0.02   0.02) =   0.011%
          HA    ASP- 105 - HN    GLU-  25  23.10 +/- 5.32   2.153% *  0.1366% (0.28   0.02   0.02) =   0.007%
    Distance limit 3.61 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 = 5.86, residual support = 127.4:
      O   HA    GLU-  25 - HN    GLU-  25   2.72 +/- 0.04  88.380% * 99.7793% (0.87  10.0   5.87 127.45) =  99.990%  kept
          HA    ILE   19 - HN    GLU-  25  10.92 +/- 3.37  10.109% *  0.0744% (0.65   1.0   0.02   0.02) =   0.009%
          HA    SER   82 - HN    GLU-  25  18.18 +/- 9.77   1.325% *  0.1032% (0.90   1.0   0.02   0.02) =   0.002%
          HA    CYS   53 - HN    GLU-  25  23.79 +/- 3.95   0.186% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.708, support = 4.44, residual support = 17.2:
      O   HA    THR   23 - HN    VAL   24   2.47 +/- 0.37  62.323% * 91.0447% (0.73  10.0   4.42  17.26) =  96.311%  kept
          HB    THR   23 - HN    VAL   24   3.67 +/- 0.75  28.325% *  7.2086% (0.22   1.0   5.16  17.26) =   3.466%  kept
          HA    LEU   80 - HN    VAL   24  12.64 +/- 9.87   8.148% *  1.6038% (0.34   1.0   0.75   6.01) =   0.222%  kept
          HA    ASP-  78 - HN    VAL   24  15.68 +/- 6.33   0.669% *  0.1210% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  15.07 +/- 3.63   0.534% *  0.0220% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.781, support = 3.09, residual support = 18.5:
      O   HA    THR   23 - HN    THR   23   2.75 +/- 0.25  63.581% * 36.7575% (0.61  10.0   3.04  18.50) =  55.310%  kept
      O   HB    THR   23 - HN    THR   23   3.54 +/- 0.27  31.073% * 60.4684% (1.00  10.0   3.16  18.50) =  44.468%  kept
          HA    LEU   80 - HN    THR   23  14.57 +/-10.06   3.449% *  2.6995% (0.95   1.0   0.94   0.77) =   0.220%  kept
          HA    ASP- 105 - HN    THR   23  21.43 +/- 4.89   1.291% *  0.0559% (0.92   1.0   0.02   0.02) =   0.002%
          HA    ASP-  78 - HN    THR   23  16.86 +/- 7.05   0.606% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 2.28, residual support = 2.91:
          HA    ALA   20 - HN    THR   23   5.34 +/- 0.69  93.493% * 99.0012% (0.73   2.28   2.92) =  99.930%  kept
          HA    LEU   71 - HN    THR   23  15.03 +/- 3.08   6.507% *  0.9988% (0.84   0.02   0.02) =   0.070%
    Distance limit 3.95 A violated in 10 structures by 1.39 A, kept.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.13, residual support = 12.8:
          HB    THR   26 - HN    THR   23   3.83 +/- 0.42  92.871% * 94.0345% (0.99   2.14  12.84) =  99.774%  kept
          HA    ASP-  62 - HN    THR   23  17.37 +/- 4.35   3.589% *  5.1648% (0.97   0.12   0.02) =   0.212%  kept
          HA    SER  117 - HN    THR   23  24.32 +/- 6.77   1.357% *  0.6451% (0.73   0.02   0.02) =   0.010%
          HA    SER   82 - HN    THR   23  19.11 +/- 9.17   2.182% *  0.1556% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.68 A violated in 0 structures by 0.23 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.9, residual support = 105.7:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  98.364% * 99.7763% (0.98  10.0   2.90 105.75) =  99.999%  kept
          HZ2   TRP   87 - HD22  ASN   28  13.53 +/- 7.13   1.011% *  0.1009% (0.99   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HD22  ASN   28  16.15 +/- 3.15   0.304% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  17.69 +/- 4.16   0.272% *  0.0418% (0.41   1.0   0.02   0.10) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.67 +/- 3.35   0.050% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.22, residual support = 32.9:
        T HN    ASN   28 - HN    GLU-  29   2.85 +/- 0.08  90.420% * 99.0325% (0.76 10.00   5.22  32.93) =  99.923%  kept
          HN    GLU-  25 - HN    GLU-  29   6.42 +/- 0.29   8.098% *  0.8428% (0.73  1.00   0.18   0.02) =   0.076%
          HN    ASP-  44 - HN    GLU-  29  15.83 +/- 2.79   0.700% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  17.64 +/- 3.59   0.781% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 7.29, residual support = 52.9:
        T HN    LEU   31 - HN    GLN   30   2.56 +/- 0.11  96.216% * 98.4622% (0.73 10.00   7.29  52.86) =  99.997%  kept
        T HN    PHE   55 - HN    GLN   30  25.57 +/- 3.57   0.129% *  1.3086% (0.97 10.00   0.02   0.02) =   0.002%
          HN    ASP-  62 - HN    GLN   30  18.79 +/- 2.89   0.342% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  21.10 +/- 5.49   0.287% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.48 +/- 3.26   1.813% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.54 +/- 3.54   0.132% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  17.81 +/- 2.71   0.422% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  18.33 +/- 2.74   0.331% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.10 +/- 2.94   0.177% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  24.54 +/- 2.82   0.150% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 44.3:
        T HN    LEU   31 - HN    GLN   32   2.70 +/- 0.18  96.209% * 99.0995% (0.98 10.00   5.86  44.33) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   32  27.71 +/- 3.17   0.105% *  0.6945% (0.69 10.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    GLN   32   8.87 +/- 0.51   3.002% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  20.57 +/- 2.67   0.278% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.77 +/- 3.12   0.108% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  21.85 +/- 5.65   0.298% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 45.3:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  99.727% * 99.4510% (0.87  10.0   1.00  45.32) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  19.70 +/- 5.31   0.162% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.99 +/- 6.58   0.067% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  31.92 +/- 5.83   0.022% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  32.62 +/- 5.31   0.022% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 45.3:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  98.072% * 98.9152% (0.83  10.0 10.00   1.00  45.32) =  99.999%  kept
          HN    ALA   84 - HE22  GLN   90  10.06 +/- 1.79   0.802% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  19.70 +/- 5.31   0.160% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  24.01 +/- 7.37   0.076% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  31.92 +/- 5.83   0.021% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  25.59 +/- 8.26   0.254% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  20.10 +/- 2.64   0.078% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  24.40 +/- 3.59   0.047% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.69 +/- 3.81   0.254% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  22.58 +/- 3.32   0.057% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.50 +/- 2.70   0.016% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.20 +/- 3.81   0.020% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  24.88 +/- 2.89   0.038% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  21.78 +/- 4.45   0.070% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  27.19 +/- 4.54   0.033% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.9, support = 5.7, residual support = 49.6:
          HN    GLU-  36 - HN    ASN   35   2.55 +/- 0.27  85.882% * 76.0729% (0.90   5.87  51.72) =  95.931%  kept
          HN    THR   39 - HN    ASN   35   5.48 +/- 0.60  11.890% * 23.2707% (0.97   1.67   0.02) =   4.063%  kept
          HN    LYS+ 102 - HN    ASN   35  12.56 +/- 2.96   1.059% *  0.2098% (0.73   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    ASN   35  12.48 +/- 0.33   0.815% *  0.1188% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  20.98 +/- 4.52   0.262% *  0.2832% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  26.67 +/- 2.72   0.093% *  0.0446% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 54.7:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  54.70) = 100.000%  kept
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 54.7:
      O   HA    ASN   35 - HN    ASN   35   2.81 +/- 0.06  88.703% * 99.5029% (0.98  10.0   4.55  54.70) =  99.992%  kept
          HA    LYS+  99 - HN    ASN   35   9.90 +/- 2.45   3.371% *  0.0910% (0.90   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    ASN   35   8.46 +/- 1.17   4.902% *  0.0494% (0.49   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    ASN   35  24.82 +/- 7.89   0.504% *  0.1013% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ASN   35  14.21 +/- 4.81   1.315% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  16.71 +/- 4.09   0.833% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.72 +/- 2.47   0.111% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  23.53 +/- 2.77   0.176% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  28.96 +/- 2.54   0.086% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.4, residual support = 159.8:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.348% * 99.6989% (0.90  10.0   2.40 159.82) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   8.05 +/- 1.36   1.315% *  0.1102% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HE22  GLN   30  15.90 +/- 3.29   0.276% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  23.80 +/- 4.14   0.061% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.4, residual support = 159.8:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.544% * 99.8775% (0.92  10.0 10.00   2.40 159.82) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  13.57 +/- 3.26   0.402% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  23.23 +/- 3.81   0.054% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.54, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  12.88 +/- 2.21  17.065% *  6.4793% (0.25   0.02   0.02) =  31.112%  kept
          HA    GLN   90 - HN    GLN   30  23.03 +/- 4.72   2.716% * 25.0767% (0.97   0.02   0.02) =  19.168%  kept
          HA    PHE   55 - HN    GLN   30  26.10 +/- 4.37   2.508% * 21.7040% (0.84   0.02   0.02) =  15.319%  kept
          HA    ALA  110 - HN    GLN   30  26.00 +/- 2.96   1.532% * 25.9267% (1.00   0.02   0.02) =  11.176%  kept
          HA    VAL  107 - HN    GLN   30  21.82 +/- 2.07   2.499% *  8.8635% (0.34   0.02   0.02) =   6.232%  kept
          HA    VAL   42 - HN    LYS+  99   7.65 +/- 1.12  51.996% *  0.4257% (0.02   0.02   0.02) =   6.228%  kept
          HA    ALA   91 - HN    GLN   30  23.56 +/- 4.48   3.613% *  5.7850% (0.22   0.02   0.02) =   5.882%  kept
          HA    VAL  107 - HN    LYS+  99  14.17 +/- 0.42   8.439% *  0.5823% (0.02   0.02   0.02) =   1.383%  kept
          HA    ALA  110 - HN    LYS+  99  21.17 +/- 1.63   2.696% *  1.7034% (0.07   0.02   0.02) =   1.292%  kept
          HA    GLN   90 - HN    LYS+  99  22.05 +/- 2.18   2.449% *  1.6475% (0.06   0.02   0.02) =   1.135%  kept
          HA    PHE   55 - HN    LYS+  99  24.56 +/- 3.15   2.017% *  1.4259% (0.05   0.02   0.02) =   0.809%  kept
          HA    ALA   91 - HN    LYS+  99  22.09 +/- 1.79   2.470% *  0.3801% (0.01   0.02   0.02) =   0.264%  kept
    Distance limit 4.28 A violated in 20 structures by 3.07 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.789, support = 4.72, residual support = 37.7:
          HN    ALA   34 - HN    LYS+  33   2.42 +/- 0.09  57.949% * 79.2695% (0.90   4.62  41.71) =  84.594%  kept
          HN    GLN   32 - HN    LYS+  33   2.72 +/- 0.19  41.861% * 19.9824% (0.20   5.28  15.57) =  15.404%  kept
          HN    LEU   80 - HN    LYS+  33  20.54 +/- 5.38   0.147% *  0.3691% (0.97   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  33  27.97 +/- 2.76   0.043% *  0.3791% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 54.7:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00  99.698% * 99.5403% (0.73  10.0   2.00  54.70) = 100.000%  kept
          HN    LEU   67 - HD22  ASN   35  20.28 +/- 3.69   0.104% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HD22  ASN   35  21.73 +/- 2.22   0.057% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.91 +/- 1.92   0.076% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  32.52 +/- 3.75   0.017% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  23.09 +/- 2.47   0.048% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.87, residual support = 51.7:
        T HN    ASN   35 - HN    GLU-  36   2.55 +/- 0.27  98.350% * 99.7986% (0.99 10.00   5.87  51.72) =  99.998%  kept
        T HN    LYS+  99 - HN    GLU-  36  13.17 +/- 2.10   1.053% *  0.1363% (0.14 10.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLU-  36  18.99 +/- 4.50   0.597% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.43, support = 4.09, residual support = 12.3:
          HN    GLU-  36 - HN    SER   37   2.53 +/- 0.20  70.780% * 31.3206% (0.25   4.46  18.90) =  54.503%  kept
          HN    THR   39 - HN    SER   37   3.51 +/- 0.20  27.750% * 66.6733% (0.65   3.66   4.44) =  45.487%  kept
          HN    TRP   27 - HN    SER   37  14.83 +/- 0.82   0.368% *  0.5586% (0.99   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    SER   37  21.58 +/- 1.99   0.135% *  0.3871% (0.69   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    SER   37  13.33 +/- 2.26   0.653% *  0.0763% (0.14   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    SER   37  22.52 +/- 3.56   0.119% *  0.3418% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  21.44 +/- 3.59   0.141% *  0.2115% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    SER   37  28.11 +/- 1.64   0.054% *  0.4307% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.909, support = 5.03, residual support = 26.4:
          HN    THR   39 - HN    LYS+  38   2.77 +/- 0.11  67.257% * 80.3561% (0.95   5.34  28.99) =  90.385%  kept
          HN    GLU-  36 - HN    LYS+  38   3.63 +/- 0.23  30.718% * 18.7061% (0.57   2.08   2.50) =   9.610%  kept
          HN    LYS+ 102 - HN    LYS+  38  12.64 +/- 2.36   1.019% *  0.1193% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.35 +/- 0.65   0.405% *  0.2429% (0.76   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    LYS+  38  22.32 +/- 3.46   0.158% *  0.2934% (0.92   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    LYS+  38  21.15 +/- 2.15   0.176% *  0.1084% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.94 +/- 1.58   0.067% *  0.1307% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  21.09 +/- 3.72   0.200% *  0.0430% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.65, residual support = 49.5:
      O   HA    ASN   35 - HN    GLU-  36   3.59 +/- 0.04  64.281% * 82.1304% (0.38  10.0   4.70  51.72) =  93.196%  kept
          HA    SER   37 - HN    GLU-  36   5.08 +/- 0.20  23.116% * 16.5856% (0.38   1.0   4.04  18.90) =   6.768%  kept
          HA    LEU   40 - HN    GLU-  36   9.69 +/- 1.22   4.655% *  0.2188% (1.00   1.0   0.02   0.02) =   0.018%
          HA    GLU-  15 - HN    GLU-  36  14.88 +/- 5.29   2.025% *  0.2070% (0.95   1.0   0.02   0.02) =   0.007%
          HA    SER   13 - HN    GLU-  36  17.18 +/- 3.93   0.954% *  0.2070% (0.95   1.0   0.02   0.02) =   0.003%
          HA    LYS+  99 - HN    GLU-  36  11.24 +/- 2.25   2.866% *  0.0546% (0.25   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    GLU-  36  26.21 +/- 7.98   0.675% *  0.1151% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    GLU-  36  17.34 +/- 4.32   0.889% *  0.0821% (0.38   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  36  25.14 +/- 2.57   0.214% *  0.2112% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  25.71 +/- 1.90   0.187% *  0.0981% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.48 +/- 2.23   0.137% *  0.0900% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.05, residual support = 86.3:
      O   HA    GLU-  36 - HN    GLU-  36   2.80 +/- 0.05  99.179% * 99.7892% (0.69  10.0   6.05  86.29) =  99.999%  kept
          HA    LYS+  66 - HN    GLU-  36  20.45 +/- 2.71   0.349% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  26.22 +/- 3.98   0.149% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  27.93 +/- 8.79   0.323% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.47, residual support = 29.4:
      O   HA    SER   37 - HN    SER   37   2.91 +/- 0.02  90.263% * 99.4774% (0.97  10.0   4.47  29.37) =  99.993%  kept
          HA    LEU   40 - HN    SER   37   8.24 +/- 0.80   4.627% *  0.0542% (0.53   1.0   0.02   0.52) =   0.003%
          HA    GLU-  15 - HN    SER   37  14.45 +/- 5.59   2.296% *  0.0748% (0.73   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    SER   37  16.81 +/- 4.78   0.902% *  0.0995% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    SER   37  16.82 +/- 3.72   0.701% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  13.74 +/- 0.71   0.886% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.99 +/- 1.47   0.149% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  24.07 +/- 2.04   0.175% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.9:
      O   HA    GLU-  36 - HN    SER   37   3.49 +/- 0.06  98.864% * 99.6452% (0.34  10.0   4.29  18.90) =  99.997%  kept
          HA    LYS+  66 - HN    SER   37  18.91 +/- 2.61   0.870% *  0.2819% (0.97   1.0   0.02   0.02) =   0.002%
          HA    LYS+  81 - HN    SER   37  26.10 +/- 3.18   0.265% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.727, support = 4.93, residual support = 20.8:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.06  83.806% * 95.0680% (0.73  10.0   4.95  20.87) =  99.530%  kept
          HA    LEU   40 - HN    LYS+  38   7.34 +/- 0.38   8.626% *  4.2803% (0.84   1.0   0.78   0.49) =   0.461%  kept
          HA    GLU-  15 - HN    LYS+  38  14.70 +/- 5.20   2.423% *  0.1263% (0.97   1.0   0.02   0.02) =   0.004%
          HA    SER   13 - HN    LYS+  38  17.04 +/- 3.74   1.081% *  0.1263% (0.97   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    LYS+  38  16.91 +/- 4.51   1.183% *  0.0951% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    LYS+  38  13.29 +/- 0.56   1.436% *  0.0259% (0.20   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  23.60 +/- 2.25   0.282% *  0.1238% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.75 +/- 1.26   0.225% *  0.1048% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  24.38 +/- 7.75   0.758% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.97 +/- 2.17   0.180% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 2.08, residual support = 2.5:
          HA    GLU-  36 - HN    LYS+  38   4.17 +/- 0.25  96.262% * 97.9496% (0.97   2.08   2.50) =  99.982%  kept
          HA    ALA  124 - HN    LYS+  38  26.12 +/- 8.53   1.490% *  0.4753% (0.49   0.02   0.02) =   0.008%
          HA    LYS+  66 - HN    LYS+  38  18.53 +/- 2.57   1.490% *  0.3331% (0.34   0.02   0.02) =   0.005%
          HA    LYS+  81 - HN    LYS+  38  26.16 +/- 2.74   0.419% *  0.8757% (0.90   0.02   0.02) =   0.004%
          HA    ARG+  54 - HN    LYS+  38  28.52 +/- 2.62   0.339% *  0.3665% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 38.4:
      O   HA    THR   39 - HN    THR   39   2.89 +/- 0.04  97.010% * 99.4345% (1.00  10.0   3.91  38.43) =  99.998%  kept
          HA    ILE  103 - HN    THR   39  13.50 +/- 1.33   1.039% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    THR   39  19.97 +/- 4.22   0.544% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.82 +/- 0.61   0.497% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  23.42 +/- 2.42   0.201% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  22.38 +/- 2.45   0.236% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  22.80 +/- 2.27   0.224% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  25.43 +/- 2.38   0.156% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  30.19 +/- 2.85   0.093% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 24.7:
      O   HA    THR   39 - HN    LEU   40   2.26 +/- 0.07  97.827% * 99.4345% (1.00  10.0   4.29  24.72) =  99.998%  kept
          HA    ILE  103 - HN    LEU   40  11.55 +/- 1.26   0.894% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   40  13.87 +/- 0.68   0.434% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.02 +/- 2.88   0.218% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  22.10 +/- 2.15   0.114% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  20.57 +/- 4.20   0.208% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  20.53 +/- 2.25   0.151% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  27.00 +/- 2.98   0.064% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  23.85 +/- 2.10   0.091% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 5.17, residual support = 105.3:
      O   HA    LEU   40 - HN    LEU   40   2.85 +/- 0.06  76.898% * 97.6649% (1.00  10.0   5.18 105.53) =  99.741%  kept
          HA    LYS+  99 - HN    LEU   40   6.53 +/- 1.46  10.418% *  1.8108% (0.25   1.0   1.49  10.79) =   0.251%  kept
          HA    GLU-  15 - HN    LEU   40  14.43 +/- 4.98   1.562% *  0.0924% (0.95   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    LEU   40   8.42 +/- 0.78   3.497% *  0.0367% (0.38   1.0   0.02   0.02) =   0.002%
          HA    SER   37 - HN    LEU   40   8.20 +/- 0.11   3.231% *  0.0367% (0.38   1.0   0.02   0.52) =   0.002%
          HA    LEU  123 - HN    LEU   40  19.59 +/- 7.22   1.738% *  0.0514% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   40  14.84 +/- 5.56   1.405% *  0.0367% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    LEU   40  17.18 +/- 2.82   0.453% *  0.0924% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  18.33 +/- 2.18   0.349% *  0.0943% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  19.77 +/- 1.02   0.237% *  0.0438% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.39 +/- 2.53   0.212% *  0.0402% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.5, residual support = 76.1:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.03  98.222% * 99.4222% (0.22  10.0   4.50  76.10) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.21 +/- 0.42   0.864% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   41  20.63 +/- 1.78   0.304% *  0.1676% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    VAL   41  17.58 +/- 2.31   0.609% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 0.995, support = 5.11, residual support = 21.2:
      O   HA    LEU   40 - HN    VAL   41   2.28 +/- 0.06  73.999% * 97.4247% (1.00  10.0   5.13  21.35) =  99.389%  kept
          HA    LYS+  99 - HN    VAL   41   4.14 +/- 1.19  21.474% *  2.0523% (0.25   1.0   1.69   0.02) =   0.608%  kept
          HA    GLU-  15 - HN    VAL   41  15.74 +/- 4.45   0.755% *  0.0922% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    VAL   41   9.07 +/- 1.07   1.329% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   41  10.77 +/- 0.57   0.717% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.92 +/- 3.34   0.244% *  0.0922% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  19.44 +/- 6.37   0.430% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  17.61 +/- 2.39   0.211% *  0.0940% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  15.59 +/- 5.20   0.535% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.25 +/- 0.94   0.176% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  20.02 +/- 2.56   0.130% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.44, residual support = 26.3:
        T HN    LEU   98 - HN    VAL   41   4.47 +/- 0.84 100.000% *100.0000% (0.97 10.00   5.44  26.26) = 100.000%  kept
    Distance limit 4.17 A violated in 3 structures by 0.49 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.17, residual support = 4.11:
          HA    PHE   72 - HN    VAL   42   4.82 +/- 1.92 100.000% *100.0000% (0.22   1.17   4.11) = 100.000%  kept
    Distance limit 4.21 A violated in 7 structures by 1.07 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.31, residual support = 28.8:
      O   HA    VAL   41 - HN    VAL   42   2.28 +/- 0.10  98.298% * 99.4222% (0.22  10.0   5.31  28.76) =  99.996%  kept
          HA    PHE   45 - HN    VAL   42  10.68 +/- 0.44   1.022% *  0.3413% (0.76   1.0   0.02   0.02) =   0.004%
          HA    ASP-  78 - HN    VAL   42  17.27 +/- 1.49   0.254% *  0.1676% (0.38   1.0   0.02   0.12) =   0.000%
          HA    THR   23 - HN    VAL   42  15.66 +/- 2.19   0.425% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 89.2:
      O   HA    VAL   42 - HN    VAL   42   2.91 +/- 0.02  94.734% * 99.6568% (0.87  10.0   5.45  89.24) =  99.998%  kept
          HA    GLN   17 - HN    VAL   42  14.87 +/- 6.13   2.060% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   42  13.08 +/- 0.55   1.063% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.00 +/- 2.24   0.357% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  18.05 +/- 1.52   0.424% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.79 +/- 2.42   0.421% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.76 +/- 0.86   0.942% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.01, residual support = 39.2:
      O   HA    VAL   42 - HN    VAL   43   2.24 +/- 0.08  97.069% * 99.7026% (1.00  10.0   5.01  39.18) =  99.998%  kept
          HA    GLN   17 - HN    VAL   43  16.67 +/- 6.10   0.832% *  0.0646% (0.65   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   43  11.11 +/- 0.79   0.894% *  0.0566% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   43  16.74 +/- 0.68   0.241% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  15.07 +/- 1.58   0.358% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.41 +/- 2.16   0.227% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  15.64 +/- 2.43   0.380% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.333, support = 2.37, residual support = 4.13:
          HA    LYS+  74 - HN    ASP-  44   4.95 +/- 1.14  65.754% * 61.0454% (0.28   2.65   4.74) =  87.031%  kept
          HA    MET   92 - HN    ASP-  44  11.63 +/- 1.64  15.254% * 29.3492% (0.87   0.41   0.02) =   9.707%  kept
          HA    VAL   41 - HN    ASP-  44   8.15 +/- 0.49  17.026% *  8.7346% (0.20   0.53   0.02) =   3.224%  kept
          HA    HIS  122 - HN    ASP-  44  17.65 +/- 3.03   1.966% *  0.8708% (0.53   0.02   0.02) =   0.037%
    Distance limit 3.73 A violated in 4 structures by 1.00 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.88, residual support = 16.3:
      O   HA    VAL   43 - HN    ASP-  44   2.21 +/- 0.05  91.345% * 99.8182% (0.87  10.0   3.88  16.35) =  99.995%  kept
          HA    LEU   71 - HN    ASP-  44   9.22 +/- 1.95   7.442% *  0.0560% (0.49   1.0   0.02   0.02) =   0.005%
          HA    ASN   69 - HN    ASP-  44  13.03 +/- 1.92   0.624% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  14.15 +/- 3.93   0.589% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.82, residual support = 39.7:
      O   HA    ASP-  44 - HN    ASP-  44   2.88 +/- 0.06  88.952% * 98.9185% (0.49  10.0   3.82  39.67) =  99.987%  kept
          HB    THR   77 - HN    ASP-  44   9.26 +/- 1.84   6.322% *  0.0835% (0.41   1.0   0.02   0.02) =   0.006%
          HA    ASP-  86 - HN    ASP-  44  14.36 +/- 1.30   0.776% *  0.2028% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU  104 - HN    ASP-  44  14.37 +/- 1.47   0.834% *  0.1396% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  11.70 +/- 1.25   1.461% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  19.44 +/- 3.88   0.433% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  14.70 +/- 0.81   0.694% *  0.0835% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  22.27 +/- 3.86   0.282% *  0.2032% (1.00   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP-  44  24.79 +/- 4.43   0.246% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.1:
        T HN    THR   94 - HN    PHE   45   2.89 +/- 0.48  97.487% * 99.8815% (0.84 10.00   3.30  27.09) =  99.997%  kept
          HN    GLU-  79 - HN    PHE   45  10.76 +/- 0.82   2.513% *  0.1185% (0.99  1.00   0.02   0.02) =   0.003%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.66, residual support = 79.8:
          QD    PHE   45 - HN    PHE   45   2.39 +/- 0.65  98.061% * 98.5501% (0.53   5.66  79.82) =  99.991%  kept
          HD2   HIS  122 - HN    PHE   45  14.82 +/- 1.96   0.827% *  0.6392% (0.97   0.02   0.02) =   0.005%
          HE22  GLN  116 - HN    PHE   45  17.42 +/- 2.02   0.415% *  0.6265% (0.95   0.02   0.02) =   0.003%
          HE22  GLN   17 - HN    PHE   45  20.91 +/- 5.72   0.698% *  0.1842% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.93 +/- 0.95 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.60 A violated in 0 structures by 0.16 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.95, residual support = 79.8:
      O   HA    PHE   45 - HN    PHE   45   2.89 +/- 0.06  96.255% * 99.9134% (0.99  10.0   3.95  79.82) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.61 +/- 0.45   1.501% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  11.28 +/- 1.25   1.786% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  18.37 +/- 2.33   0.458% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.06, residual support = 18.3:
      O   HA    ASP-  44 - HN    PHE   45   2.30 +/- 0.06  90.901% * 97.2812% (1.00  10.0   4.07  18.28) =  99.888%  kept
          HB    THR   77 - HN    PHE   45   7.40 +/- 1.39   4.508% *  2.1386% (0.99   1.0   0.44  10.52) =   0.109%  kept
          HA    ILE  103 - HN    PHE   45  12.69 +/- 1.36   0.643% *  0.0920% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    PHE   45  12.73 +/- 0.92   0.596% *  0.0964% (0.99   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    PHE   45  13.09 +/- 0.82   0.523% *  0.0590% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.22 +/- 1.49   0.650% *  0.0436% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45  11.98 +/- 3.21   1.314% *  0.0170% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.96 +/- 1.71   0.363% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  17.72 +/- 0.70   0.205% *  0.0512% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  27.97 +/- 4.84   0.084% *  0.0971% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  22.65 +/- 3.80   0.126% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  25.57 +/- 4.03   0.087% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.38, residual support = 12.4:
          QD    PHE   45 - HN    THR   46   4.34 +/- 0.34  90.051% * 90.9611% (0.22   4.39  12.42) =  99.790%  kept
          HE22  GLN   17 - HN    THR   46  21.39 +/- 6.59   2.110% *  4.7772% (0.61   0.08   0.02) =   0.123%  kept
          HD2   HIS  122 - HN    THR   46  17.39 +/- 1.74   1.694% *  1.7620% (0.95   0.02   0.02) =   0.036%
          HE22  GLN  116 - HN    THR   46  19.15 +/- 2.33   1.542% *  1.7976% (0.97   0.02   0.02) =   0.034%
          HE22  GLN   90 - HN    THR   46  12.91 +/- 1.94   4.017% *  0.2874% (0.15   0.02   0.02) =   0.014%
          HE22  GLN   32 - HN    THR   46  25.27 +/- 3.67   0.585% *  0.4147% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.54 A violated in 0 structures by 0.06 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.72, residual support = 3.75:
          HA    ASP-  76 - HN    THR   46   5.52 +/- 2.36  88.525% * 98.8036% (0.53   2.72   3.75) =  99.843%  kept
          HA    LEU   67 - HN    THR   46  15.39 +/- 3.27  11.475% *  1.1964% (0.87   0.02   0.02) =   0.157%  kept
    Distance limit 4.06 A violated in 11 structures by 1.90 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 12.4:
      O   HA    PHE   45 - HN    THR   46   2.32 +/- 0.11  96.259% * 99.9017% (0.76  10.0   3.95  12.42) =  99.998%  kept
          HA    ASP-  78 - HN    THR   46   8.88 +/- 2.04   2.376% *  0.0491% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    THR   46  16.17 +/- 4.28   0.950% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.38 +/- 0.73   0.415% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.1:
      O   HA    THR   46 - HN    THR   46   2.91 +/- 0.05  88.379% * 99.4016% (0.57  10.0   3.25  34.07) =  99.989%  kept
          HA    GLN   90 - HN    THR   46   8.75 +/- 1.61   4.954% *  0.0599% (0.34   1.0   0.02   0.02) =   0.003%
          HA    VAL   42 - HN    THR   46  11.68 +/- 0.55   1.402% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    THR   46  14.80 +/- 2.64   2.432% *  0.0924% (0.53   1.0   0.02   0.02) =   0.003%
          HA    ALA  110 - HN    THR   46  12.98 +/- 3.63   2.147% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  20.37 +/- 6.63   0.541% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  24.80 +/- 1.14   0.146% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.38, residual support = 11.0:
          HN    THR   77 - HN    THR   46   4.80 +/- 2.03 100.000% *100.0000% (1.00   3.38  10.96) = 100.000%  kept
    Distance limit 4.71 A violated in 6 structures by 0.93 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.895, support = 2.27, residual support = 10.7:
      O   HA    ALA   47 - HN    ALA   47   2.92 +/- 0.02  63.434% * 96.8065% (0.90  10.0   2.29  10.75) =  99.000%  kept
          HA    CYS   50 - HN    ALA   47   5.52 +/- 1.58  20.708% *  2.9393% (0.73   1.0   0.75   6.65) =   0.981%  kept
          HA    VAL  108 - HN    ALA   47  11.88 +/- 3.12   7.370% *  0.0864% (0.80   1.0   0.02   0.02) =   0.010%
          HA    TRP   49 - HN    ALA   47   6.78 +/- 0.79   6.484% *  0.0568% (0.53   1.0   0.02  15.59) =   0.006%
          HA1   GLY  109 - HN    ALA   47  13.50 +/- 3.43   1.330% *  0.0741% (0.69   1.0   0.02   0.02) =   0.002%
          HA    CYS   21 - HN    ALA   47  18.50 +/- 5.72   0.673% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 10.7:
      O   HA    THR   46 - HN    ALA   47   2.45 +/- 0.18  93.153% * 99.4016% (0.57  10.0   3.07  10.73) =  99.994%  kept
          HA    PHE   55 - HN    ALA   47  12.25 +/- 2.35   2.500% *  0.0924% (0.53   1.0   0.02   0.02) =   0.002%
          HA    GLN   90 - HN    ALA   47  10.27 +/- 1.91   2.025% *  0.0599% (0.34   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ALA   47  14.84 +/- 0.89   0.445% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  12.09 +/- 3.91   1.506% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ALA   47  22.06 +/- 6.49   0.304% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  27.99 +/- 1.51   0.067% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 4.11, residual support = 14.2:
        T HN    TRP   49 - HN    SER   48   2.67 +/- 0.14  82.824% * 93.5573% (0.84 10.00   4.14  14.42) =  98.682%  kept
          HN    CYS   50 - HN    SER   48   5.09 +/- 1.21  16.230% *  6.3745% (0.61  1.00   1.88   0.02) =   1.318%  kept
          HN    VAL   83 - HN    SER   48  14.55 +/- 2.42   0.735% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  21.93 +/- 3.90   0.211% *  0.0460% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 2.21, residual support = 6.29:
      O   HA    ALA   47 - HN    SER   48   2.32 +/- 0.09  83.193% * 88.5178% (0.90  10.0   2.21   6.23) =  98.975%  kept
          HA    TRP   49 - HN    SER   48   5.16 +/- 0.14   7.706% *  8.1428% (0.53   1.0   3.14  14.42) =   0.843%  kept
          HA    CYS   50 - HN    SER   48   6.58 +/- 0.77   4.160% *  3.1590% (0.73   1.0   0.88   0.02) =   0.177%  kept
          HA1   GLY  109 - HN    SER   48  15.75 +/- 4.59   2.908% *  0.0678% (0.69   1.0   0.02   0.02) =   0.003%
          HA    VAL  108 - HN    SER   48  14.60 +/- 3.86   1.702% *  0.0790% (0.80   1.0   0.02   0.02) =   0.002%
          HA    CYS   21 - HN    SER   48  19.96 +/- 7.08   0.332% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.922, support = 5.2, residual support = 92.0:
          HD1   TRP   49 - HN    TRP   49   2.74 +/- 0.91  86.050% * 92.2916% (0.92   5.22  92.42) =  99.540%  kept
          QE    PHE   95 - HN    TRP   49  11.12 +/- 2.37   5.419% *  6.4490% (0.65   0.52   0.02) =   0.438%  kept
          HN    LEU   67 - HN    TRP   49  19.17 +/- 4.59   2.070% *  0.3752% (0.98   0.02   0.02) =   0.010%
          QD    PHE   55 - HN    TRP   49  11.57 +/- 1.80   3.862% *  0.0954% (0.25   0.02   0.02) =   0.005%
          HD2   HIS   22 - HN    TRP   49  21.06 +/- 6.70   0.899% *  0.3065% (0.80   0.02   0.02) =   0.003%
          HN    THR   23 - HN    TRP   49  20.60 +/- 5.90   0.841% *  0.2629% (0.69   0.02   0.02) =   0.003%
          HE3   TRP   27 - HN    TRP   49  20.27 +/- 3.77   0.712% *  0.0757% (0.20   0.02   0.02) =   0.001%
          HD21  ASN   35 - HN    TRP   49  31.67 +/- 3.23   0.147% *  0.1436% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.11 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  14.42) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (4.58, 6.60, 121.96 ppm):
    7 chemical-shift based assignments, quality = 0.935, support = 2.21, residual support = 6.56:
      O   HA    CYS   50 - HN    CYS   50   2.58 +/- 0.27  54.404% * 50.5521% (0.98  10.0   1.88   7.39) =  61.037%  kept
      O   HA    TRP   49 - HN    CYS   50   3.15 +/- 0.46  36.693% * 47.4755% (0.87  10.0   2.74   5.25) =  38.662%  kept
          HA    ALA   47 - HN    CYS   50   5.70 +/- 1.34   7.340% *  1.8388% (0.57   1.0   1.19   6.65) =   0.300%  kept
          HA1   GLY  109 - HN    CYS   50  15.53 +/- 3.67   0.584% *  0.0528% (0.97   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    CYS   50  21.19 +/- 6.55   0.369% *  0.0376% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  15.07 +/- 2.86   0.530% *  0.0245% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  26.73 +/- 3.25   0.080% *  0.0187% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.86, support = 4.58, residual support = 86.7:
      O   HA    TRP   49 - HN    TRP   49   2.81 +/- 0.15  58.322% * 79.3148% (0.87  10.0   4.70  92.42) =  93.015%  kept
          HA    ALA   47 - HN    TRP   49   3.86 +/- 0.19  23.360% *  7.7985% (0.57   1.0   3.01  15.59) =   3.663%  kept
          HA    CYS   50 - HN    TRP   49   4.86 +/- 0.47  13.016% * 12.6635% (0.98   1.0   2.83   5.25) =   3.314%  kept
          HA1   GLY  109 - HN    TRP   49  15.64 +/- 4.71   3.083% *  0.0882% (0.97   1.0   0.02   0.02) =   0.005%
          HA    VAL  108 - HN    TRP   49  14.96 +/- 3.89   1.695% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    TRP   49  21.04 +/- 6.72   0.348% *  0.0628% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  26.06 +/- 3.72   0.175% *  0.0312% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.58, residual support = 92.4:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  93.654% * 99.6863% (0.92  10.0   2.58  92.42) =  99.998%  kept
          QE    PHE   95 - HE1   TRP   49  10.06 +/- 2.98   4.753% *  0.0240% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HE1   TRP   49  19.67 +/- 4.37   0.632% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  21.61 +/- 5.71   0.351% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  20.93 +/- 5.53   0.538% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  31.02 +/- 3.98   0.071% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 1.37, residual support = 1.34:
      O   HA    CYS   50 - HN    GLY   51   2.85 +/- 0.39  70.204% * 94.9936% (0.98  10.0   1.38   1.36) =  98.408%  kept
          HA    TRP   49 - HN    GLY   51   5.16 +/- 1.23  23.418% *  4.5833% (0.87   1.0   0.75   0.02) =   1.584%  kept
          HA    ALA   47 - HN    GLY   51   8.19 +/- 1.41   4.377% *  0.0797% (0.57   1.0   0.02   0.02) =   0.005%
          HA1   GLY  109 - HN    GLY   51  16.06 +/- 3.29   0.817% *  0.1358% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL  108 - HN    GLY   51  15.89 +/- 2.79   0.703% *  0.0631% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY   51  22.18 +/- 6.08   0.332% *  0.0966% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  27.96 +/- 3.97   0.149% *  0.0480% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.7, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.53 +/- 0.30  94.476% * 99.5416% (0.92  10.0   2.70  10.20) =  99.996%  kept
          HA    ALA   57 - HN    GLY   51  10.94 +/- 1.77   1.846% *  0.1069% (0.99   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    GLY   51  18.20 +/- 5.00   1.206% *  0.0824% (0.76   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    GLY   51  14.27 +/- 3.10   0.948% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.80 +/- 1.72   0.584% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.36 +/- 3.73   0.217% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  19.38 +/- 2.36   0.262% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  27.73 +/- 2.79   0.091% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  20.42 +/- 3.60   0.274% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  32.45 +/- 6.61   0.095% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.17, residual support = 31.5:
        T HN    ARG+  54 - HN    CYS   53   2.66 +/- 0.13  98.352% * 99.1159% (0.98 10.00   6.17  31.55) =  99.989%  kept
        T HN    ASP-  62 - HN    CYS   53  12.34 +/- 1.85   1.403% *  0.7343% (0.73 10.00   0.02   0.02) =   0.011%
          HN    LEU   31 - HN    CYS   53  24.94 +/- 2.92   0.161% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.31 +/- 2.57   0.084% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.17, residual support = 31.5:
        T HN    CYS   53 - HN    ARG+  54   2.66 +/- 0.13  96.613% * 99.6035% (0.85 10.00   6.17  31.55) =  99.997%  kept
        T HN    CYS   53 - HN    ASP-  62  12.34 +/- 1.85   1.379% *  0.1864% (0.16 10.00   0.02   0.02) =   0.003%
          HN    LEU   80 - HN    ARG+  54  19.16 +/- 4.19   0.495% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  24.83 +/- 4.70   0.216% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.13 +/- 2.73   0.109% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  18.97 +/- 2.73   0.335% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  19.64 +/- 4.04   0.540% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.26 +/- 2.09   0.314% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.512, support = 0.02, residual support = 0.02:
          HN    TRP   87 - HN    ARG+  54  20.75 +/- 2.26  12.273% * 29.7440% (0.69   0.02   0.02) =  29.255%  kept
          HD21  ASN   69 - HN    ARG+  54  22.01 +/- 4.86  11.214% * 31.3037% (0.72   0.02   0.02) =  28.132%  kept
          HD21  ASN   69 - HN    ASP-  62  14.07 +/- 2.26  32.464% *  5.8573% (0.14   0.02   0.02) =  15.239%  kept
          HN    GLN   17 - HN    ARG+  54  23.91 +/- 4.21   7.238% * 23.1904% (0.54   0.02   0.02) =  13.453%  kept
          HN    GLN   17 - HN    ASP-  62  16.24 +/- 3.74  25.419% *  4.3392% (0.10   0.02   0.02) =   8.839%  kept
          HN    TRP   87 - HN    ASP-  62  20.64 +/- 2.62  11.392% *  5.5654% (0.13   0.02   0.02) =   5.081%  kept
    Distance limit 3.88 A violated in 20 structures by 8.13 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 3.91, residual support = 22.2:
          HN    PHE   55 - HN    ILE   56   2.67 +/- 0.16  91.183% * 94.6964% (0.95   3.91  22.25) =  99.855%  kept
          HN    ASP-  62 - HN    ILE   56   9.06 +/- 0.92   2.675% *  4.6118% (0.31   0.58   0.02) =   0.143%  kept
          HN    ALA   88 - HN    ILE   56  21.58 +/- 2.79   0.224% *  0.4442% (0.87   0.02   0.02) =   0.001%
          HN    ALA   88 - HZ2   TRP   87   8.44 +/- 0.38   3.012% *  0.0193% (0.04   0.02   5.06) =   0.001%
          HN    LEU   31 - HN    ILE   56  23.86 +/- 2.77   0.159% *  0.1922% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  14.19 +/- 6.99   2.211% *  0.0083% (0.02   0.02   1.70) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.45 +/- 1.43   0.188% *  0.0210% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  18.34 +/- 2.82   0.348% *  0.0069% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 4.99, residual support = 31.2:
          HN    ALA   57 - HN    ILE   56   3.29 +/- 0.69  88.443% * 91.2670% (0.87   5.01  31.33) =  99.519%  kept
          HE21  GLN  116 - HN    ILE   56  10.36 +/- 1.75   4.692% *  8.1292% (0.80   0.48   0.02) =   0.470%  kept
          HN    ALA  120 - HN    ILE   56  12.94 +/- 2.32   3.554% *  0.1727% (0.41   0.02   0.02) =   0.008%
          HE21  GLN   90 - HN    ILE   56  21.70 +/- 3.32   0.525% *  0.3768% (0.90   0.02   0.02) =   0.002%
          HE21  GLN   90 - HZ2   TRP   87  15.09 +/- 2.03   1.422% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.80 +/- 2.17   0.495% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  23.92 +/- 3.13   0.380% *  0.0146% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  22.52 +/- 3.60   0.488% *  0.0075% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.29 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.158, support = 4.98, residual support = 123.6:
      O   HA    ILE   56 - HN    ILE   56   2.73 +/- 0.22  77.285% * 87.7671% (0.15  10.0   5.01 124.24) =  99.464%  kept
          HA    PRO   58 - HN    ILE   56   7.68 +/- 0.48   3.878% *  8.9776% (0.95   1.0   0.33   0.02) =   0.510%  kept
          HA    THR   46 - HN    ILE   56  10.62 +/- 2.43   2.303% *  0.4555% (0.80   1.0   0.02   0.02) =   0.015%
          HA    GLU-  15 - HZ2   TRP   87  22.51 +/- 7.84   5.235% *  0.0238% (0.04   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    ILE   56  20.99 +/- 4.11   0.235% *  0.4131% (0.73   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ILE   56  21.49 +/- 2.38   0.176% *  0.4751% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ILE   56  24.35 +/- 3.20   0.129% *  0.5490% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ILE   56  26.61 +/- 4.38   0.124% *  0.5490% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  16.63 +/- 3.48   0.536% *  0.1266% (0.22   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  16.77 +/- 1.74   0.367% *  0.1126% (0.20   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  28.90 +/- 1.84   0.068% *  0.4131% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  21.82 +/- 7.95   1.414% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87   9.92 +/- 4.74   5.066% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  14.31 +/- 4.98   1.097% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  13.17 +/- 1.58   0.870% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  25.44 +/- 5.95   0.422% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  20.97 +/- 3.09   0.213% *  0.0234% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  20.46 +/- 5.04   0.270% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  26.17 +/- 4.57   0.130% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  21.19 +/- 2.04   0.182% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.01, residual support = 31.3:
          HN    ILE   56 - HN    ALA   57   3.29 +/- 0.69  88.180% * 98.5202% (0.98   5.01  31.33) =  99.954%  kept
          HN    LEU   63 - HN    ALA   57   8.42 +/- 0.72   7.769% *  0.3705% (0.92   0.02   0.02) =   0.033%
          HN    LYS+ 111 - HN    ALA   57  12.48 +/- 2.22   2.437% *  0.3599% (0.90   0.02   0.02) =   0.010%
          HN    ALA   84 - HN    ALA   57  21.83 +/- 2.78   0.377% *  0.3599% (0.90   0.02   0.02) =   0.002%
          HD21  ASN   28 - HN    ALA   57  23.21 +/- 4.01   0.526% *  0.1239% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   57  29.41 +/- 3.88   0.219% *  0.1953% (0.49   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  20.80 +/- 2.17   0.492% *  0.0703% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.25 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.467, support = 4.29, residual support = 20.0:
        T HN    PHE   60 - HN    PHE   59   2.67 +/- 0.17  89.327% * 85.8982% (0.47 10.00   4.31  20.10) =  99.285%  kept
        T HN    THR  118 - HN    PHE   59   8.69 +/- 1.76   4.276% * 12.4107% (0.29 10.00   0.47  12.17) =   0.687%  kept
          HN    GLN  116 - HN    PHE   59   7.36 +/- 1.39   6.188% *  0.3029% (0.14  1.00   0.24   0.52) =   0.024%
        T HN    GLU-  15 - HN    PHE   59  21.61 +/- 2.70   0.209% *  1.3882% (0.76 10.00   0.02   0.02) =   0.004%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.264, support = 4.73, residual support = 55.7:
      O   HA    PHE   59 - HN    PHE   59   2.82 +/- 0.05  67.598% * 86.5283% (0.24  10.0   4.95  57.87) =  94.363%  kept
          HA    ILE   56 - HN    PHE   59   4.22 +/- 0.99  28.091% * 12.4037% (0.69   1.0   0.99  20.12) =   5.621%  kept
          HA    ASP- 113 - HN    PHE   59   9.53 +/- 1.85   2.812% *  0.2514% (0.69   1.0   0.02   0.02) =   0.011%
          HA    LEU  123 - HN    PHE   59  13.03 +/- 1.70   0.788% *  0.2245% (0.62   1.0   0.02   0.02) =   0.003%
          HA    LYS+  99 - HN    PHE   59  19.12 +/- 2.64   0.265% *  0.2779% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   59  24.05 +/- 2.62   0.127% *  0.2588% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  17.91 +/- 2.31   0.318% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.45, residual support = 24.2:
      O   HA    ALA   57 - HN    ALA   57   2.76 +/- 0.17  94.811% * 99.2309% (0.76  10.0   4.45  24.16) =  99.995%  kept
          HA1   GLY   51 - HN    ALA   57  11.02 +/- 1.40   1.882% *  0.1273% (0.98   1.0   0.02   0.02) =   0.003%
          HA    ASP-  44 - HN    ALA   57  12.68 +/- 2.14   1.496% *  0.0683% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   57  17.26 +/- 3.00   0.583% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  21.53 +/- 3.88   0.318% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.65 +/- 2.86   0.390% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  22.40 +/- 2.51   0.205% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  24.07 +/- 3.03   0.177% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  27.91 +/- 5.85   0.140% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.976, support = 4.59, residual support = 31.2:
      O   HA    ILE   56 - HN    ALA   57   2.83 +/- 0.50  75.472% * 90.7684% (0.99  10.0   4.56  31.33) =  97.645%  kept
          HA    PRO   58 - HN    ALA   57   4.83 +/- 0.29  18.705% *  8.8154% (0.34   1.0   5.64  25.35) =   2.350%  kept
          HA    ASP- 113 - HN    ALA   57  10.55 +/- 2.35   4.137% *  0.0518% (0.57   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    ALA   57  15.40 +/- 2.54   0.605% *  0.0914% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ALA   57  21.41 +/- 2.97   0.257% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  20.16 +/- 2.70   0.284% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  26.13 +/- 2.76   0.126% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  22.77 +/- 3.42   0.228% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.00 +/- 4.47   0.186% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 5.26, residual support = 41.6:
        T HN    PHE   60 - HN    ALA   61   2.76 +/- 0.24  95.798% * 97.7864% (0.61 10.00   5.26  41.59) =  99.982%  kept
        T HN    THR  118 - HN    ALA   61  11.48 +/- 1.50   1.605% *  0.6051% (0.38 10.00   0.02   0.02) =   0.010%
        T HN    GLU-  15 - HN    ALA   61  18.99 +/- 3.07   0.391% *  1.5803% (0.98 10.00   0.02   0.02) =   0.007%
          HN    GLN  116 - HN    ALA   61  10.56 +/- 1.48   2.207% *  0.0282% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.547, support = 4.35, residual support = 32.3:
          QD    PHE   60 - HN    ALA   61   3.22 +/- 0.73  59.387% * 49.3852% (0.57   4.77  41.59) =  77.289%  kept
          HN    PHE   59 - HN    ALA   61   4.45 +/- 0.42  28.981% * 24.0617% (0.41   3.20   0.57) =  18.377%  kept
          QE    PHE   59 - HN    ALA   61   7.33 +/- 0.58   6.230% * 26.1030% (0.80   1.78   0.57) =   4.286%  kept
          HN    LYS+  66 - HN    ALA   61   7.97 +/- 0.92   5.098% *  0.3588% (0.98   0.02   0.02) =   0.048%
          HN    LYS+  81 - HN    ALA   61  20.78 +/- 2.80   0.304% *  0.0913% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.11 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 = 0.949, support = 0.913, residual support = 0.883:
          HA    PRO   58 - HN    ALA   61   4.26 +/- 0.83  63.341% * 79.6142% (0.97   0.93   0.87) =  97.185%  kept
          HA    ILE   56 - HN    ALA   61   7.32 +/- 0.93  16.318% *  7.0891% (0.41   0.20   1.73) =   2.229%  kept
          HA    GLN   17 - HN    ALA   61  15.41 +/- 4.51   2.508% *  4.7015% (0.38   0.14   0.02) =   0.227%  kept
          HA    LEU   40 - HN    ALA   61  15.59 +/- 2.66   3.698% *  1.7662% (1.00   0.02   0.02) =   0.126%  kept
          HA    THR   46 - HN    ALA   61  10.97 +/- 2.80   5.736% *  0.7919% (0.45   0.02   0.02) =   0.088%
          HA    GLU-  15 - HN    ALA   61  18.60 +/- 3.73   1.272% *  1.6708% (0.95   0.02   0.02) =   0.041%
          HA    LEU  123 - HN    ALA   61  15.36 +/- 1.41   1.919% *  0.9293% (0.53   0.02   0.02) =   0.034%
          HA    SER   13 - HN    ALA   61  20.82 +/- 3.63   0.793% *  1.6708% (0.95   0.02   0.02) =   0.026%
          HA    LYS+  99 - HN    ALA   61  17.17 +/- 3.17   2.810% *  0.4404% (0.25   0.02   0.02) =   0.024%
          HA    ASN   35 - HN    ALA   61  21.48 +/- 2.67   0.913% *  0.6629% (0.38   0.02   0.02) =   0.012%
          HA    SER   37 - HN    ALA   61  22.37 +/- 1.88   0.692% *  0.6629% (0.38   0.02   0.02) =   0.009%
    Distance limit 4.00 A violated in 1 structures by 0.46 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.55, support = 1.57, residual support = 0.938:
          HA    ALA   57 - HN    ALA   61   4.52 +/- 1.69  59.523% * 40.0087% (0.41   1.78   1.21) =  68.931%  kept
          HA    ASP-  44 - HN    ALA   61   9.59 +/- 2.40  20.063% * 52.6654% (0.87   1.11   0.35) =  30.584%  kept
          HA    ILE  103 - HN    ALA   61  17.35 +/- 2.92   5.151% *  1.0726% (0.98   0.02   0.02) =   0.160%  kept
          HA1   GLY   51 - HN    ALA   61  14.20 +/- 1.86   3.339% *  0.7946% (0.73   0.02   0.02) =   0.077%
          HA    THR   39 - HN    ALA   61  17.55 +/- 2.29   2.857% *  0.9140% (0.84   0.02   0.02) =   0.076%
          HB    THR   77 - HN    ALA   61  15.53 +/- 2.32   2.319% *  1.0101% (0.92   0.02   0.02) =   0.068%
          HA    GLU-  79 - HN    ALA   61  19.14 +/- 3.01   1.382% *  0.9814% (0.90   0.02   0.02) =   0.039%
          HA    SER   85 - HN    ALA   61  22.40 +/- 2.67   0.905% *  1.0101% (0.92   0.02   0.02) =   0.026%
          HA    MET   11 - HN    ALA   61  23.94 +/- 4.94   0.672% *  0.9140% (0.84   0.02   0.02) =   0.018%
          HA    GLU-  14 - HN    ALA   61  19.25 +/- 3.18   1.918% *  0.1688% (0.15   0.02   0.02) =   0.009%
          HA    ALA   12 - HN    ALA   61  21.76 +/- 4.50   0.931% *  0.2436% (0.22   0.02   0.02) =   0.007%
          HA    ASP-  86 - HN    ALA   61  22.53 +/- 2.76   0.939% *  0.2166% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.52 A violated in 4 structures by 0.53 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.3:
        T HN    ASP-  62 - HN    LEU   63   2.65 +/- 0.15  94.893% * 99.7221% (0.98 10.00   5.85  42.33) =  99.996%  kept
          HN    ARG+  54 - HN    LEU   63  12.50 +/- 2.50   2.055% *  0.0939% (0.92  1.00   0.02   0.02) =   0.002%
          HN    PHE   55 - HN    LEU   63  12.01 +/- 2.07   2.101% *  0.0382% (0.38  1.00   0.02   0.02) =   0.001%
          HN    LEU   31 - HN    LEU   63  16.91 +/- 2.96   0.658% *  0.0962% (0.95  1.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    LEU   63  19.18 +/- 1.80   0.293% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.86, residual support = 54.7:
        T HN    ALA   64 - HN    LEU   63   2.71 +/- 0.24 100.000% *100.0000% (0.97 10.00   6.86  54.66) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.8, residual support = 29.2:
        T HN    LYS+  65 - HN    ALA   64   2.62 +/- 0.22 100.000% *100.0000% (0.97 10.00   4.80  29.24) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.85, residual support = 54.7:
          HN    LEU   63 - HN    ALA   64   2.71 +/- 0.24  95.754% * 99.0093% (0.99   6.86  54.66) =  99.991%  kept
          HN    ILE   56 - HN    ALA   64  11.69 +/- 1.14   1.404% *  0.2757% (0.95   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    ALA   64  16.77 +/- 3.75   1.023% *  0.1768% (0.61   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    ALA   64  16.45 +/- 1.97   0.578% *  0.1768% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  15.95 +/- 2.88   0.667% *  0.1198% (0.41   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  18.80 +/- 1.73   0.352% *  0.1768% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  21.87 +/- 2.47   0.221% *  0.0649% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.8, residual support = 29.2:
        T HN    ALA   64 - HN    LYS+  65   2.62 +/- 0.22 100.000% *100.0000% (0.67 10.00   4.80  29.24) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.673, support = 6.32, residual support = 29.5:
          HN    LYS+  66 - HN    LYS+  65   2.67 +/- 0.19  79.272% * 93.2480% (0.68   6.39  29.88) =  98.662%  kept
          QD    PHE   60 - HN    LYS+  65   6.45 +/- 1.58  15.732% *  6.3173% (0.39   0.75   0.02) =   1.326%  kept
          QE    PHE   59 - HN    LYS+  65   9.15 +/- 1.40   2.509% *  0.2383% (0.55   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    LYS+  65   9.15 +/- 1.00   2.272% *  0.1223% (0.28   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    LYS+  65  20.62 +/- 2.73   0.215% *  0.0742% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.666, support = 1.09, residual support = 4.11:
          HA    ASP-  62 - HN    LYS+  65   3.71 +/- 0.51  96.198% * 96.5203% (0.67   1.09   4.12) =  99.942%  kept
          HB    THR   26 - HN    LYS+  65  17.13 +/- 3.39   1.665% *  1.8225% (0.68   0.02   0.02) =   0.033%
          HA    SER  117 - HN    LYS+  65  15.92 +/- 1.88   1.643% *  1.3352% (0.50   0.02   0.02) =   0.024%
          HA    SER   82 - HN    LYS+  65  23.01 +/- 2.56   0.494% *  0.3220% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.08 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.39, residual support = 29.9:
        T HN    LYS+  65 - HN    LYS+  66   2.67 +/- 0.19 100.000% *100.0000% (0.97 10.00   6.39  29.88) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.16, residual support = 119.6:
      O   HA    LYS+  66 - HN    LYS+  66   2.89 +/- 0.04  99.409% * 99.9389% (0.97  10.0   5.16 119.58) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  21.29 +/- 2.44   0.302% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  21.74 +/- 3.04   0.289% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0784, support = 2.97, residual support = 50.4:
          HD22  ASN   28 - HE3   TRP   27   5.34 +/- 0.22  92.865% * 94.9427% (0.08   2.99  50.65) =  99.592%  kept
          HD22  ASN   28 - HN    LEU   67  16.84 +/- 3.60   7.135% *  5.0573% (0.61   0.02   0.02) =   0.408%  kept
    Distance limit 4.48 A violated in 0 structures by 0.86 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.08, residual support = 60.4:
      O   HA    LEU   67 - HN    LEU   67   2.53 +/- 0.29  96.078% * 99.9623% (1.00  10.0   6.08  60.39) = 100.000%  kept
          HA    ASP-  76 - HN    LEU   67  14.17 +/- 3.07   0.769% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  13.11 +/- 2.54   0.887% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  12.36 +/- 4.32   2.266% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.16, residual support = 15.2:
      O   HA    LYS+  66 - HN    LEU   67   3.50 +/- 0.12  94.334% * 99.9186% (0.97  10.0   5.16  15.23) =  99.999%  kept
          HA    GLU-  36 - HN    LEU   67  19.53 +/- 2.43   0.735% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  15.84 +/- 2.53   1.316% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  21.66 +/- 2.60   0.460% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  16.43 +/- 6.12   1.901% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.03 +/- 0.84   1.255% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 24.5:
        T HN    VAL   70 - HN    ASN   69   2.22 +/- 0.57  99.529% * 99.9644% (0.87 10.00   5.26  24.51) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.43 +/- 3.01   0.471% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 5.34, residual support = 59.0:
      O   HA    ASN   69 - HN    ASN   69   2.71 +/- 0.23  97.980% * 99.8231% (0.76  10.0   5.34  59.02) =  99.998%  kept
          HA    VAL   43 - HN    ASN   69  11.95 +/- 1.35   1.509% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASN   69  18.84 +/- 3.30   0.512% *  0.1133% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.08, residual support = 59.0:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.377% * 99.9103% (0.52  10.0 10.00   3.08  59.02) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  13.41 +/- 2.74   0.433% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  24.30 +/- 4.77   0.191% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.08, residual support = 59.0:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  96.297% * 99.7566% (0.52  10.0   3.08  59.02) =  99.996%  kept
          HN    GLN   17 - HD22  ASN   69  14.49 +/- 5.67   3.550% *  0.1078% (0.56   1.0   0.02   0.02) =   0.004%
          HN    TRP   87 - HD22  ASN   69  23.16 +/- 3.44   0.058% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  20.63 +/- 3.92   0.095% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.45, support = 2.38, residual support = 50.9:
          QE    PHE   72 - HN    VAL   70   4.26 +/- 0.99  88.746% * 98.2036% (0.45   2.39  51.04) =  99.769%  kept
          HD22  ASN   28 - HN    VAL   70  15.53 +/- 3.89  11.254% *  1.7964% (0.98   0.02   0.02) =   0.231%  kept
    Distance limit 4.47 A violated in 0 structures by 0.22 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 24.5:
        T HN    ASN   69 - HN    VAL   70   2.22 +/- 0.57  98.906% * 99.9392% (0.87 10.00   5.26  24.51) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  14.84 +/- 2.30   0.601% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  15.82 +/- 3.31   0.492% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.01, residual support = 1.01:
          HA    PRO   68 - HN    VAL   70   4.48 +/- 0.52 100.000% *100.0000% (0.99   1.01   1.01) = 100.000%  kept
    Distance limit 4.31 A violated in 0 structures by 0.34 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 4.01, residual support = 79.3:
      O   HA    VAL   70 - HN    VAL   70   2.90 +/- 0.02  86.754% * 99.2525% (0.84  10.0   4.01  79.30) =  99.987%  kept
          HA    VAL   18 - HN    VAL   70  11.95 +/- 6.09   5.451% *  0.1147% (0.97   1.0   0.02   0.02) =   0.007%
          HA    SER   48 - HN    VAL   70  19.90 +/- 4.62   1.734% *  0.0673% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    VAL   70  15.06 +/- 2.22   0.856% *  0.1186% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   70  16.53 +/- 3.66   0.942% *  0.0993% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   70  16.67 +/- 2.85   0.695% *  0.1165% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    VAL   70  11.12 +/- 1.60   1.856% *  0.0235% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    VAL   70  15.76 +/- 2.76   0.819% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  22.45 +/- 2.55   0.222% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  21.13 +/- 3.93   0.496% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  23.44 +/- 1.62   0.174% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 6.63, residual support = 139.5:
      O   HA    LEU   71 - HN    LEU   71   2.89 +/- 0.04  93.976% * 99.9402% (1.00  10.0   6.63 139.47) =  99.998%  kept
          HA    VAL   43 - HN    LEU   71   9.12 +/- 1.34   4.662% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    LEU   71  13.83 +/- 3.94   1.362% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 5.96, residual support = 34.7:
      O   HA    VAL   70 - HN    LEU   71   2.23 +/- 0.05  88.428% * 95.3723% (1.00  10.0   5.97  34.78) =  99.822%  kept
          HA    VAL   18 - HN    LEU   71  11.51 +/- 6.21   3.468% *  4.2335% (0.69   1.0   1.29   0.02) =   0.174%  kept
          HB2   SER   37 - HN    LEU   71   8.82 +/- 1.93   2.035% *  0.0464% (0.49   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LEU   71  13.11 +/- 6.96   3.935% *  0.0189% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  12.64 +/- 2.35   0.817% *  0.0827% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   71  17.37 +/- 4.45   0.556% *  0.0954% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   71  14.68 +/- 2.12   0.388% *  0.0693% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  21.49 +/- 3.06   0.129% *  0.0578% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  20.63 +/- 3.44   0.244% *  0.0238% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.22, residual support = 2.83:
          HA    VAL   41 - HN    LEU   71   5.69 +/- 1.94  75.824% * 98.7554% (1.00   2.23   2.84) =  99.786%  kept
          HA    HIS  122 - HN    LEU   71  15.96 +/- 5.72  16.252% *  0.7418% (0.84   0.02   0.02) =   0.161%  kept
          HA    PHE   45 - HN    LEU   71  14.52 +/- 1.52   7.925% *  0.5028% (0.57   0.02   0.02) =   0.053%
    Distance limit 4.05 A violated in 9 structures by 1.65 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.656, support = 2.3, residual support = 1.51:
          HN    VAL   42 - HN    LEU   71   5.75 +/- 1.67  53.982% * 35.0903% (0.61   2.32   1.45) =  55.280%  kept
          HN    LEU   73 - HN    LEU   71   7.35 +/- 0.33  24.761% * 43.5607% (0.61   2.87   2.12) =  31.477%  kept
          HN    ILE   19 - HN    LEU   71  11.59 +/- 5.36  21.257% * 21.3490% (0.98   0.87   0.29) =  13.244%  kept
    Distance limit 4.57 A violated in 1 structures by 0.71 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.45, support = 5.57, residual support = 89.7:
          QD    PHE   72 - HN    PHE   72   2.32 +/- 0.60  93.752% * 88.9604% (0.45   5.60  90.29) =  99.397%  kept
          HD22  ASN   69 - HN    PHE   72   9.06 +/- 1.25   4.711% * 10.5811% (0.73   0.41   0.02) =   0.594%  kept
          QE    PHE   45 - HN    PHE   72  10.93 +/- 1.58   1.537% *  0.4585% (0.65   0.02   0.02) =   0.008%
    Distance limit 3.81 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 = 5.07, residual support = 90.3:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.02 100.000% *100.0000% (0.53  10.0   5.07  90.29) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (4.65, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 20.2:
      O   HA    LEU   71 - HN    PHE   72   2.39 +/- 0.16  92.146% * 99.9402% (1.00  10.0   5.74  20.24) =  99.998%  kept
          HA    VAL   43 - HN    PHE   72   6.99 +/- 1.31   5.678% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    PHE   72  11.40 +/- 5.56   2.176% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.598, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  15.08 +/- 1.94  19.586% * 29.8815% (0.73   0.02   0.02) =  35.715%  kept
          HA    ASP-  78 - HN    PHE   72  18.02 +/- 1.57  10.540% * 39.7133% (0.97   0.02   0.02) =  25.543%  kept
          HA    PHE   45 - HN    PHE   72  11.88 +/- 1.35  36.675% *  7.2068% (0.18   0.02   0.02) =  16.129%  kept
          HA    LEU   80 - HN    PHE   72  16.83 +/- 2.07  13.623% * 14.0368% (0.34   0.02   0.02) =  11.669%  kept
          HB    THR   23 - HN    PHE   72  15.39 +/- 2.15  19.576% *  9.1616% (0.22   0.02   0.02) =  10.944%  kept
    Distance limit 4.44 A violated in 20 structures by 6.15 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 0.444:
          HZ2   TRP   87 - HN    LEU   73  11.86 +/- 3.31  22.026% * 31.1892% (0.99   0.02   0.02) =  33.341%  kept
          HD21  ASN   28 - HN    LEU   73  12.41 +/- 2.38  17.638% * 30.8446% (0.98   0.02   0.34) =  26.403%  kept
          QE    PHE   60 - HN    LEU   73   9.41 +/- 2.63  29.759% * 15.3170% (0.49   0.02   1.55) =  22.122%  kept
          HN    LEU   63 - HN    LEU   73  10.23 +/- 1.99  23.779% * 12.9368% (0.41   0.02   0.02) =  14.930%  kept
          HN    ILE   56 - HN    LEU   73  16.44 +/- 3.85   6.798% *  9.7124% (0.31   0.02   0.02) =   3.204%  kept
    Distance limit 4.56 A violated in 17 structures by 3.02 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.54, residual support = 173.8:
      O   HA    LEU   73 - HN    LEU   73   2.87 +/- 0.05 100.000% *100.0000% (0.95  10.0   6.54 173.81) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.63, residual support = 44.3:
      O   HA    PHE   72 - HN    LEU   73   2.60 +/- 0.19 100.000% *100.0000% (0.53  10.0   5.63  44.33) = 100.000%  kept
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.665, support = 2.08, residual support = 2.23:
          HA    LEU   71 - HN    LEU   73   6.24 +/- 0.59  22.541% * 62.0687% (0.84   2.31   2.12) =  49.656%  kept
          HA    VAL   43 - HN    LEU   73   5.45 +/- 1.40  39.881% * 32.9420% (0.53   1.94   2.53) =  46.628%  kept
          HA    ALA   20 - HN    LEU   73   9.78 +/- 6.50  28.078% *  3.5196% (0.14   0.81   0.02) =   3.507%  kept
          HA    ASN   69 - HN    LEU   73  11.43 +/- 0.99   3.844% *  1.3424% (0.28   0.15   0.02) =   0.183%  kept
          HA    HIS   22 - HN    LEU   73  12.20 +/- 4.48   5.657% *  0.1274% (0.20   0.02   0.02) =   0.026%
    Distance limit 4.33 A violated in 0 structures by 0.26 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.128, support = 3.94, residual support = 8.95:
        T HN    CYS   21 - HN    LYS+  74   8.61 +/- 8.62  47.839% * 95.8247% (0.12 10.00   4.00   9.07) =  98.613%  kept
        T HN    ILE  119 - HN    LYS+  74  17.83 +/- 3.73  16.553% *  3.0978% (0.40 10.00   0.02   0.02) =   1.103%  kept
          HN    ILE   89 - HN    LYS+  74  14.93 +/- 1.76  18.040% *  0.4381% (0.57  1.00   0.02   0.02) =   0.170%  kept
          HN    SER   37 - HN    LYS+  74  16.55 +/- 1.60   7.971% *  0.5176% (0.67  1.00   0.02   0.02) =   0.089%
          HN    LYS+  38 - HN    LYS+  74  16.65 +/- 1.51   9.597% *  0.1218% (0.16  1.00   0.02   0.02) =   0.025%
    Distance limit 4.20 A violated in 5 structures by 1.85 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.578, support = 4.49, residual support = 21.5:
        T HN    ILE   19 - HN    LYS+  74  10.12 +/- 8.34  31.799% * 73.0144% (0.54 10.00   3.35   7.69) =  60.876%  kept
          HN    LEU   73 - HN    LYS+  74   4.22 +/- 0.40  55.472% * 26.8810% (0.64  1.00   6.27  43.08) =  39.097%  kept
          HN    VAL   42 - HN    LYS+  74   8.12 +/- 1.65  11.780% *  0.0857% (0.64  1.00   0.02   0.02) =   0.026%
          HN    LYS+ 106 - HN    LYS+  74  17.42 +/- 2.28   0.949% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.78, residual support = 43.1:
      O   HA    LEU   73 - HN    LYS+  74   2.60 +/- 0.18 100.000% *100.0000% (0.68  10.0   5.78  43.08) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.13, residual support = 186.6:
      O   HA    LYS+  74 - HN    LYS+  74   2.87 +/- 0.07  95.510% * 99.4309% (0.20  10.0   6.13 186.64) =  99.994%  kept
          HA    VAL   41 - HN    LYS+  74   9.52 +/- 1.67   3.343% *  0.0708% (0.14   1.0   0.02   0.02) =   0.002%
          HA    MET   92 - HN    LYS+  74  15.39 +/- 1.77   0.733% *  0.3102% (0.61   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    LYS+  74  19.85 +/- 3.58   0.413% *  0.1882% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.651, support = 3.07, residual support = 4.89:
          HA    ALA   20 - HN    LYS+  74   8.26 +/- 8.70  63.052% * 83.1908% (0.68   3.29   5.34) =  89.413%  kept
          HA    LEU   71 - HN    LYS+  74   7.90 +/- 1.56  36.948% * 16.8092% (0.37   1.22   1.13) =  10.587%  kept
    Distance limit 3.74 A violated in 3 structures by 0.49 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.26, residual support = 31.8:
      O   HA    LYS+  74 - HN    VAL   75   2.22 +/- 0.06  99.189% * 99.7992% (0.61  10.0   6.26  31.83) =  99.999%  kept
          HA    MET   92 - HN    VAL   75  12.37 +/- 1.02   0.631% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    VAL   75  19.51 +/- 2.53   0.180% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 35.6:
      O   HA    ASP-  76 - HN    ASP-  76   2.87 +/- 0.06  98.779% * 99.5538% (0.22  10.0   3.72  35.63) =  99.994%  kept
          HA    LEU   67 - HN    ASP-  76  14.38 +/- 2.71   1.221% *  0.4462% (1.00   1.0   0.02   0.02) =   0.006%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 19.6:
      O   HA    VAL  107 - HN    VAL  108   2.19 +/- 0.01  97.178% * 99.5919% (0.65  10.0   3.97  19.64) =  99.998%  kept
          HA    LYS+ 111 - HN    VAL  108   8.51 +/- 1.14   1.977% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    VAL  108  14.50 +/- 1.75   0.385% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  16.27 +/- 2.79   0.341% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  21.17 +/- 2.05   0.119% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 5.37, residual support = 27.7:
        T HN    ASP-  78 - HN    THR   77   2.60 +/- 0.14  91.134% * 96.7618% (0.98 10.00   5.38  27.80) =  99.699%  kept
          HN    VAL   75 - HN    THR   77   6.06 +/- 0.77   8.252% *  3.2209% (0.61  1.00   1.08   0.72) =   0.300%  kept
          HN    LYS+ 112 - HN    THR   77  16.84 +/- 3.61   0.615% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.38, residual support = 27.8:
        T HN    THR   77 - HN    ASP-  78   2.60 +/- 0.14 100.000% *100.0000% (1.00 10.00   5.38  27.80) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.87, residual support = 21.0:
        T HN    GLU-  79 - HN    ASP-  78   2.56 +/- 0.16  97.543% * 99.9158% (0.99 10.00   3.87  20.97) =  99.998%  kept
          HN    THR   94 - HN    ASP-  78   9.86 +/- 1.65   2.457% *  0.0842% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.87, residual support = 21.0:
        T HN    ASP-  78 - HN    GLU-  79   2.56 +/- 0.16  97.266% * 99.4412% (0.56 10.00   3.87  20.97) =  99.984%  kept
          HN    VAL   75 - HN    GLU-  79   8.53 +/- 0.50   2.734% *  0.5588% (0.56  1.00   0.11   0.02) =   0.016%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.603, support = 4.41, residual support = 56.4:
      O   HA    GLU-  79 - HN    GLU-  79   2.73 +/- 0.14  85.782% * 94.5863% (0.60  10.0   4.43  56.73) =  99.427%  kept
          HB    THR   77 - HN    GLU-  79   5.77 +/- 0.35   9.417% *  4.9279% (0.37   1.0   1.70   0.02) =   0.569%  kept
          HA1   GLY   51 - HN    GLU-  79  17.69 +/- 4.71   1.235% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.05 +/- 0.61   1.016% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLU-  79  11.66 +/- 0.60   1.144% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    GLU-  79  17.98 +/- 3.94   0.456% *  0.0729% (0.47   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  28.50 +/- 6.51   0.485% *  0.0465% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  19.87 +/- 2.45   0.278% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  22.11 +/- 2.11   0.186% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 21.0:
      O   HA    ASP-  78 - HN    GLU-  79   3.60 +/- 0.08  90.558% * 98.7485% (0.08  10.0   3.84  20.97) =  99.929%  kept
          HA    PHE   45 - HN    GLU-  79   8.52 +/- 1.27   8.167% *  0.7232% (0.60   1.0   0.02   0.02) =   0.066%
          HA    VAL   41 - HN    GLU-  79  16.82 +/- 1.83   0.995% *  0.3839% (0.32   1.0   0.02   0.02) =   0.004%
          HA    HIS  122 - HN    GLU-  79  25.70 +/- 2.58   0.280% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 10.5:
      O   HA    ASP-  76 - HN    THR   77   2.31 +/- 0.06  99.461% * 99.8354% (0.53  10.0   4.53  10.50) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  16.02 +/- 3.05   0.539% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.573, support = 1.14, residual support = 2.97:
          HA    ALA   47 - HN    THR   77   7.62 +/- 2.84  39.862% * 88.6258% (0.57   1.18   3.07) =  96.832%  kept
          HA    CYS   50 - HN    THR   77  12.20 +/- 3.11  11.981% *  2.5994% (0.98   0.02   0.02) =   0.854%  kept
          HA    CYS   21 - HN    THR   77  15.82 +/- 6.92  15.922% *  1.8216% (0.69   0.02   0.02) =   0.795%  kept
          HA    TRP   49 - HN    THR   77  12.89 +/- 3.00   7.873% *  2.3004% (0.87   0.02   0.02) =   0.496%  kept
          HA1   GLY  109 - HN    THR   77  16.64 +/- 3.35   7.004% *  2.5593% (0.97   0.02   0.02) =   0.491%  kept
          HA    VAL  108 - HN    THR   77  13.96 +/- 2.81  13.015% *  1.1889% (0.45   0.02   0.02) =   0.424%  kept
          HA    LYS+ 102 - HN    THR   77  20.20 +/- 2.17   4.344% *  0.9046% (0.34   0.02   0.02) =   0.108%  kept
    Distance limit 4.44 A violated in 12 structures by 2.53 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.415, support = 0.969, residual support = 8.01:
          HA    THR   46 - HN    THR   77   6.78 +/- 2.17  41.972% * 39.0318% (0.25   1.18  10.96) =  72.093%  kept
          HA    VAL   42 - HN    THR   77  12.80 +/- 1.22  10.305% * 53.7332% (0.87   0.47   0.41) =  24.368%  kept
          HA    GLN   90 - HN    THR   77   8.91 +/- 2.30  24.160% *  1.8153% (0.69   0.02   0.02) =   1.930%  kept
          HA    ALA  110 - HN    THR   77  15.66 +/- 4.69  12.345% *  1.4961% (0.57   0.02   0.02) =   0.813%  kept
          HA    PHE   55 - HN    THR   77  17.75 +/- 3.54   6.047% *  2.2923% (0.87   0.02   0.02) =   0.610%  kept
          HA    GLN   17 - HN    THR   77  20.81 +/- 6.92   3.677% *  0.8156% (0.31   0.02   0.02) =   0.132%  kept
          HA    SER   37 - HN    THR   77  24.58 +/- 1.66   1.494% *  0.8156% (0.31   0.02   0.02) =   0.054%
    Distance limit 4.34 A violated in 11 structures by 1.72 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   3.19 +/- 0.44  78.269% * 97.2490% (0.76  10.0   4.03  37.48) =  99.760%  kept
          HA    GLU-  79 - HN    THR   77   6.89 +/- 0.40   8.716% *  1.9628% (0.28   1.0   1.11   0.02) =   0.224%  kept
          HA    ASP-  44 - HN    THR   77   8.11 +/- 0.74   5.477% *  0.1063% (0.84   1.0   0.02   0.02) =   0.008%
          HA    SER   85 - HN    THR   77  11.61 +/- 1.28   1.913% *  0.0972% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    THR   77  12.91 +/- 1.68   1.559% *  0.1019% (0.80   1.0   0.02   0.02) =   0.002%
          HA    MET   11 - HN    THR   77  28.14 +/- 5.89   0.708% *  0.1104% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   77  17.46 +/- 1.62   0.552% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    THR   77  25.94 +/- 5.15   0.362% *  0.1063% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    THR   77  23.48 +/- 4.81   0.336% *  0.0924% (0.73   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  15.46 +/- 3.39   1.395% *  0.0196% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  20.46 +/- 1.54   0.346% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  20.54 +/- 1.77   0.367% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.645, support = 5.28, residual support = 39.1:
        T HN    LEU   80 - HN    LYS+  81   3.47 +/- 0.39  84.135% * 92.6403% (0.65 10.00   5.31  39.52) =  98.922%  kept
          HN    SER   85 - HN    LYS+  81   6.59 +/- 0.32  13.845% *  6.0868% (0.45  1.00   1.90   0.02) =   1.070%  kept
        T HN    ALA   34 - HN    LYS+  81  22.12 +/- 5.30   0.467% *  1.0944% (0.76 10.00   0.02   0.02) =   0.006%
          HN    GLN   32 - HN    LYS+  81  21.13 +/- 6.94   0.727% *  0.1196% (0.84  1.00   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  81  19.78 +/- 4.14   0.826% *  0.0589% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.02 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   2.76 +/- 0.15  97.334% * 99.8569% (1.00 10.00   4.81  19.90) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  10.90 +/- 1.44   1.832% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    LYS+  81  26.74 +/- 8.16   0.243% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  25.65 +/- 3.39   0.297% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  21.37 +/- 3.71   0.294% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.691, support = 5.76, residual support = 38.8:
      O   HA    LEU   80 - HN    LYS+  81   2.58 +/- 0.38  80.838% * 88.8602% (0.69  10.0   5.84  39.52) =  98.195%  kept
          HA    ASP-  78 - HN    LYS+  81   5.55 +/- 1.23  13.616% *  9.1779% (0.95   1.0   1.50   0.48) =   1.708%  kept
          HA    THR   23 - HN    LYS+  81  15.19 +/- 9.67   3.738% *  1.8579% (0.98   1.0   0.29   0.02) =   0.095%
          HB    THR   23 - HN    LYS+  81  16.66 +/- 9.12   1.662% *  0.0681% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  23.20 +/- 2.18   0.146% *  0.0360% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.36, residual support = 110.6:
      O   HA    LYS+  81 - HN    LYS+  81   2.75 +/- 0.05  97.813% * 99.7055% (0.99  10.0   5.36 110.64) =  99.999%  kept
          HA    ASN   28 - HN    LYS+  81  17.62 +/- 7.73   1.119% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  21.93 +/- 4.01   0.319% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  22.37 +/- 3.38   0.570% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  27.68 +/- 4.31   0.116% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  33.77 +/- 3.56   0.063% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 4.17, residual support = 34.7:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.04  95.738% * 98.7108% (0.25  10.0   4.17  34.68) =  99.987%  kept
          HA    GLU-  25 - HN    SER   82  17.58 +/- 9.98   1.931% *  0.3170% (0.80   1.0   0.02   0.02) =   0.006%
          HA    ILE   19 - HN    SER   82  21.62 +/- 8.44   0.864% *  0.3820% (0.97   1.0   0.02   0.02) =   0.003%
          HA    CYS   53 - HN    SER   82  21.36 +/- 3.45   0.342% *  0.3880% (0.98   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  19.93 +/- 9.25   0.801% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  25.65 +/- 3.48   0.324% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.32, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  22.57 +/- 2.60  39.090% * 67.5049% (0.41   0.02   0.02) =  57.140%  kept
          HB    THR   23 - HN    SER   82  17.54 +/- 9.33  60.910% * 32.4951% (0.20   0.02   0.02) =  42.860%  kept
    Distance limit 4.32 A violated in 20 structures by 10.64 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 19.0:
        T HN    VAL   83 - HN    SER   82   2.65 +/- 0.14  99.540% * 99.9274% (1.00 10.00   5.62  18.98) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  18.79 +/- 3.54   0.460% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.81, residual support = 19.9:
          HN    LYS+  81 - HN    SER   82   2.76 +/- 0.15  97.546% * 99.3756% (1.00   4.81  19.90) =  99.997%  kept
          QD    PHE   60 - HN    SER   82  18.10 +/- 3.12   0.449% *  0.3317% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  15.94 +/- 7.29   1.567% *  0.0922% (0.22   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    SER   82  22.47 +/- 2.59   0.202% *  0.1279% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.58 +/- 3.12   0.236% *  0.0726% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.53, residual support = 41.1:
        T HN    ALA   84 - HN    VAL   83   2.64 +/- 0.09  98.840% * 99.6823% (0.75 10.00   7.53  41.07) =  99.999%  kept
          HE21  GLN   32 - HN    VAL   83  22.51 +/- 8.13   0.398% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.21 +/- 3.01   0.330% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  22.29 +/- 2.52   0.197% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  20.50 +/- 1.91   0.235% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 19.0:
        T HN    SER   82 - HN    VAL   83   2.65 +/- 0.14  96.341% * 99.8569% (0.75 10.00   5.62  18.98) =  99.999%  kept
          HN    GLN   90 - HN    VAL   83   9.96 +/- 1.16   2.226% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    VAL   83  25.74 +/- 8.49   0.818% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  17.96 +/- 4.52   0.472% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  24.39 +/- 2.50   0.143% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.80 +/- 0.10  97.537% * 99.8725% (0.99 10.00   3.77  20.68) =  99.999%  kept
          HN    GLN   32 - HN    ALA   84  20.32 +/- 6.40   0.485% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ALA   84  11.34 +/- 1.06   1.650% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  21.08 +/- 4.84   0.327% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.53, residual support = 41.1:
        T HN    VAL   83 - HN    ALA   84   2.64 +/- 0.09  99.439% * 99.9274% (1.00 10.00   7.53  41.07) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  16.66 +/- 2.77   0.561% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.34, residual support = 5.97:
          HA    LYS+  81 - HN    ALA   84   3.34 +/- 0.28  95.187% * 95.8314% (0.80   2.34   5.97) =  99.973%  kept
          HA    ASN   28 - HN    ALA   84  17.02 +/- 7.17   1.834% *  0.4987% (0.49   0.02   0.02) =   0.010%
          HA    ARG+  54 - HN    ALA   84  21.10 +/- 2.78   0.548% *  0.9888% (0.97   0.02   0.02) =   0.006%
          HA    LEU  115 - HN    ALA   84  19.96 +/- 2.34   0.883% *  0.4593% (0.45   0.02   0.02) =   0.004%
          HA    GLU-  36 - HN    ALA   84  26.71 +/- 3.84   0.221% *  0.7038% (0.69   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ALA   84  19.41 +/- 4.49   0.776% *  0.1794% (0.18   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ALA   84  21.78 +/- 3.93   0.421% *  0.3162% (0.31   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   84  32.00 +/- 2.84   0.129% *  1.0223% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.484, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    VAL   83  20.14 +/- 2.91  14.455% * 27.0775% (0.70   0.02   0.02) =  24.277%  kept
          HA    GLU-  25 - HN    VAL   83  17.12 +/- 9.19  27.403% * 13.1508% (0.34   0.02   0.02) =  22.351%  kept
          HA    THR   26 - HN    VAL   83  19.03 +/- 8.71  15.425% * 21.2999% (0.55   0.02   0.02) =  20.377%  kept
          HA    ILE   19 - HN    VAL   83  20.36 +/- 8.25  14.477% * 20.1488% (0.52   0.02   0.02) =  18.092%  kept
          HA1   GLY  101 - HN    VAL   83  18.73 +/- 5.39  19.113% *  7.3142% (0.19   0.02   0.02) =   8.671%  kept
          HA    GLU- 114 - HN    VAL   83  23.96 +/- 2.79   9.127% * 11.0089% (0.28   0.02   0.02) =   6.232%  kept
    Distance limit 4.31 A violated in 20 structures by 7.02 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.573, support = 2.57, residual support = 5.06:
        T HN    SER   85 - HN    VAL   83   4.30 +/- 0.11  56.447% * 97.9507% (0.58 10.00   2.59   5.12) =  98.822%  kept
          HN    LEU   80 - HN    VAL   83   4.90 +/- 0.82  39.917% *  1.6395% (0.26  1.00   0.75   0.20) =   1.170%  kept
          HN    GLN   32 - HN    VAL   83  19.12 +/- 7.58   1.803% *  0.1279% (0.75  1.00   0.02   0.02) =   0.004%
        T HN    CYS   53 - HN    VAL   83  20.14 +/- 3.00   0.788% *  0.2245% (0.13 10.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  20.01 +/- 6.00   1.044% *  0.0575% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.14, residual support = 10.2:
          HN    SER   82 - HN    ALA   84   3.91 +/- 0.10  81.508% * 99.2145% (0.87   4.14  10.19) =  99.919%  kept
          HN    GLN   90 - HN    ALA   84   7.48 +/- 1.27  15.893% *  0.3792% (0.69   0.02   0.02) =   0.074%
          HN    ILE  103 - HN    ALA   84  18.04 +/- 3.81   1.104% *  0.2687% (0.49   0.02   0.02) =   0.004%
          HN    GLY   16 - HN    ALA   84  26.33 +/- 7.92   1.495% *  0.1376% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.39 +/- 0.04  98.977% * 97.4523% (0.80   3.33  13.44) =  99.995%  kept
          HN    GLN   30 - HN    SER   85  20.60 +/- 6.68   0.289% *  0.6344% (0.87   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    SER   85  19.93 +/- 3.19   0.214% *  0.4732% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    SER   85  20.89 +/- 7.29   0.300% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    SER   85  29.84 +/- 5.76   0.116% *  0.6344% (0.87   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  25.44 +/- 3.56   0.105% *  0.5311% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.80 +/- 0.10  94.563% * 97.8179% (0.90   3.77  20.68) =  99.989%  kept
          HZ2   TRP   87 - HN    SER   85   9.19 +/- 0.65   2.861% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    SER   85  16.52 +/- 8.06   1.589% *  0.1786% (0.31   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    SER   85  20.49 +/- 2.43   0.313% *  0.5190% (0.90   0.02   0.02) =   0.002%
          HN    LEU   63 - HN    SER   85  22.01 +/- 2.03   0.217% *  0.5342% (0.92   0.02   0.02) =   0.001%
          HN    ILE   56 - HN    SER   85  22.73 +/- 2.37   0.203% *  0.5672% (0.98   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    SER   85  24.98 +/- 7.30   0.254% *  0.2817% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.59, residual support = 5.12:
        T HN    VAL   83 - HN    SER   85   4.30 +/- 0.11  98.158% * 99.9526% (0.87 10.00   2.59   5.12) =  99.999%  kept
          HN    CYS   50 - HN    SER   85  18.00 +/- 2.98   1.842% *  0.0474% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.13 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.983, support = 3.65, residual support = 18.0:
      O   HA    SER   85 - HN    SER   85   2.84 +/- 0.01  76.722% * 92.5566% (0.99  10.0   3.65  18.02) =  98.559%  kept
          HA    ASP-  86 - HN    SER   85   4.88 +/- 0.05  15.099% *  6.8350% (0.45   1.0   3.27  13.44) =   1.432%  kept
          HB    THR   77 - HN    SER   85   8.55 +/- 1.73   4.271% *  0.0926% (0.99   1.0   0.02   0.02) =   0.005%
          HA    GLU-  79 - HN    SER   85  10.07 +/- 0.76   1.862% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    SER   85  13.52 +/- 0.91   0.749% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  17.92 +/- 3.26   0.376% *  0.0883% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  21.68 +/- 2.89   0.207% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  33.82 +/- 6.28   0.083% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  28.85 +/- 6.40   0.205% *  0.0350% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  23.97 +/- 2.42   0.143% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  31.53 +/- 5.92   0.090% *  0.0455% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  22.51 +/- 3.63   0.194% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.572, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  21.90 +/- 7.32   8.858% * 23.1039% (0.98   0.02   0.02) =  20.083%  kept
          HA1   GLY  101 - HN    SER   85  19.92 +/- 4.43  13.880% * 13.3446% (0.57   0.02   0.02) =  18.177%  kept
          HA    CYS   53 - HN    SER   85  20.47 +/- 2.86  11.340% * 14.2963% (0.61   0.02   0.02) =  15.909%  kept
          HA    GLU- 114 - HN    SER   85  23.75 +/- 2.41   6.809% * 17.1158% (0.73   0.02   0.02) =  11.438%  kept
          HA    ASN   28 - HN    SER   85  18.40 +/- 7.39  18.368% *  5.2476% (0.22   0.02   0.02) =   9.459%  kept
          HA    ILE   19 - HN    SER   85  22.98 +/- 7.26  10.292% *  8.0401% (0.34   0.02   0.02) =   8.120%  kept
          HA    GLU-  25 - HN    SER   85  19.84 +/- 8.03  14.476% *  4.1279% (0.18   0.02   0.02) =   5.864%  kept
          HA    LEU  115 - HN    SER   85  21.16 +/- 2.40  10.029% *  5.8774% (0.25   0.02   0.02) =   5.785%  kept
          HA    ALA   34 - HN    SER   85  23.24 +/- 3.87   5.948% *  8.8463% (0.38   0.02   0.02) =   5.164%  kept
    Distance limit 3.87 A violated in 20 structures by 8.65 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   2.39 +/- 0.04  98.663% * 99.7141% (0.99 10.00   3.33  13.44) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  21.26 +/- 5.25   0.217% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  20.47 +/- 6.87   0.346% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  12.56 +/- 1.12   0.773% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.935, support = 3.71, residual support = 22.7:
          HN    TRP   87 - HN    ASP-  86   2.73 +/- 0.07  94.066% * 73.6954% (0.95   3.71  22.70) =  98.326%  kept
          HE3   TRP   87 - HN    ASP-  86   7.55 +/- 0.36   4.607% * 25.4981% (0.31   3.94  22.70) =   1.666%  kept
          HN    GLN   17 - HN    ASP-  86  26.47 +/- 7.88   1.121% *  0.4189% (1.00   0.02   0.02) =   0.007%
          HD21  ASN   69 - HN    ASP-  86  24.09 +/- 3.39   0.206% *  0.3876% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.808, support = 4.1, residual support = 40.1:
      O   HA    ASP-  86 - HN    ASP-  86   2.73 +/- 0.02  60.588% * 79.5813% (0.87  10.0   4.16  42.50) =  91.557%  kept
      O   HA    SER   85 - HN    ASP-  86   3.54 +/- 0.02  27.835% * 14.1556% (0.15  10.0   3.26  13.44) =   7.482%  kept
          HA    TRP   87 - HN    ASP-  86   5.26 +/- 0.06   8.480% *  5.9605% (0.28   1.0   4.67  22.70) =   0.960%  kept
          HB    THR   77 - HN    ASP-  86   9.45 +/- 1.55   1.923% *  0.0142% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  86  28.20 +/- 6.52   0.242% *  0.0847% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  19.92 +/- 3.47   0.191% *  0.0885% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.05 +/- 1.09   0.608% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  30.95 +/- 5.93   0.073% *  0.0766% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  33.29 +/- 6.28   0.061% *  0.0204% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 22.7:
          HN    ASP-  86 - HN    TRP   87   2.73 +/- 0.07  97.978% * 98.4399% (1.00   3.71  22.70) =  99.993%  kept
          HN    GLN   30 - HN    TRP   87  19.56 +/- 5.79   0.490% *  0.5305% (1.00   0.02   0.02) =   0.003%
          HN    GLU-  29 - HN    TRP   87  20.23 +/- 6.18   0.447% *  0.3861% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    TRP   87  17.02 +/- 3.40   0.568% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    TRP   87  28.67 +/- 5.49   0.270% *  0.2798% (0.53   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  23.13 +/- 4.28   0.246% *  0.1996% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.813, support = 4.06, residual support = 67.7:
      O   HA    TRP   87 - HN    TRP   87   2.93 +/- 0.03  64.453% * 78.1363% (0.90  10.0   4.16  74.42) =  87.008%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.61 +/- 0.04  34.613% * 21.7248% (0.25  10.0   3.39  22.70) =  12.992%  kept
          HA    LEU  104 - HN    TRP   87  18.23 +/- 3.48   0.347% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  27.69 +/- 5.99   0.295% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  21.20 +/- 2.06   0.192% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  30.51 +/- 5.46   0.099% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.296, support = 1.89, residual support = 74.3:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  87.074% * 68.6322% (0.28  10.0   1.87  74.42) =  96.109%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.709% * 23.9903% (0.73   1.0   2.50  74.42) =   3.746%  kept
          HN    TRP   27 - HE1   TRP   87  15.45 +/- 6.98   1.270% *  6.7793% (0.90   1.0   0.57   5.60) =   0.138%  kept
          HN    ALA   91 - HE1   TRP   87  10.93 +/- 0.80   1.291% *  0.2618% (0.99   1.0   0.02   0.02) =   0.005%
          HN    ALA   61 - HE1   TRP   87  17.84 +/- 2.44   0.332% *  0.2549% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HE1   TRP   87  18.94 +/- 4.19   0.324% *  0.0815% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 1.97, residual support = 5.5:
          HZ2   TRP   27 - HE1   TRP   87  10.36 +/- 7.75  61.774% * 97.0708% (0.80   2.00   5.60) =  98.167%  kept
          HZ    PHE   72 - HE1   TRP   87  13.71 +/- 2.60  38.226% *  2.9292% (0.20   0.24   0.02) =   1.833%  kept
    Distance limit 4.24 A violated in 10 structures by 4.46 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.316, support = 2.93, residual support = 4.73:
      O   HA    TRP   87 - HN    ALA   88   3.32 +/- 0.10  30.057% * 88.6851% (0.28  10.0   3.09   5.06) =  93.457%  kept
          HA    ASP-  86 - HN    ALA   88   4.10 +/- 0.31  18.011% * 10.2136% (0.87   1.0   0.74   0.02) =   6.450%  kept
          HA    SER   85 - HN    ALA   88   2.89 +/- 0.47  49.100% *  0.0492% (0.15   1.0   0.02   0.02) =   0.085%
          HB    THR   77 - HN    ALA   88   9.49 +/- 1.71   1.764% *  0.0492% (0.15   1.0   0.02   0.02) =   0.003%
          HA    LEU  104 - HN    ALA   88  19.26 +/- 2.89   0.180% *  0.3078% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   88  12.34 +/- 1.13   0.668% *  0.0631% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   88  29.19 +/- 5.87   0.126% *  0.2944% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ALA   88  32.07 +/- 5.33   0.051% *  0.2664% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  34.50 +/- 5.78   0.043% *  0.0710% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.601, support = 0.839, residual support = 15.9:
          HA    TRP   87 - HN    ILE   89   4.30 +/- 0.28  73.043% * 76.8979% (0.61   0.88  17.05) =  93.198%  kept
          HA    ASP-  86 - HN    ILE   89   6.47 +/- 0.59  24.104% * 16.8119% (0.53   0.22   0.02) =   6.724%  kept
          HA    LEU  104 - HN    ILE   89  18.85 +/- 2.66   1.106% *  2.7126% (0.95   0.02   0.02) =   0.050%
          HA    GLU-  14 - HN    ILE   89  28.41 +/- 5.38   0.510% *  1.7393% (0.61   0.02   0.02) =   0.015%
          HA    PHE   59 - HN    ILE   89  20.26 +/- 2.25   0.948% *  0.4425% (0.15   0.02   0.02) =   0.007%
          HA    ALA   12 - HN    ILE   89  31.24 +/- 5.02   0.289% *  1.3958% (0.49   0.02   0.02) =   0.007%
    Distance limit 4.33 A violated in 0 structures by 0.07 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.74, residual support = 32.1:
          HN    ALA   91 - HN    GLN   90   2.67 +/- 0.47  96.018% * 95.0287% (0.92   6.75  32.14) =  99.850%  kept
          HE3   TRP   87 - HN    GLN   90   9.70 +/- 1.08   3.042% *  4.4383% (0.97   0.30   0.02) =   0.148%  kept
          HN    ALA   61 - HN    GLN   90  18.85 +/- 3.23   0.333% *  0.2945% (0.97   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    GLN   90  20.45 +/- 4.95   0.401% *  0.1851% (0.61   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    GLN   90  27.36 +/- 6.63   0.206% *  0.0534% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.38, support = 5.34, residual support = 90.2:
      O   HA    GLN   90 - HN    GLN   90   2.60 +/- 0.28  83.485% * 68.5480% (0.34  10.0   5.49  94.86) =  92.562%  kept
          HA    ALA   91 - HN    GLN   90   4.97 +/- 0.43  14.829% * 30.9982% (0.87   1.0   3.56  32.14) =   7.435%  kept
          HA    VAL  107 - HN    GLN   90  15.82 +/- 1.45   0.468% *  0.1939% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    GLN   90  14.83 +/- 3.04   0.705% *  0.0901% (0.45   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    GLN   90  20.09 +/- 4.70   0.251% *  0.1300% (0.65   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    GLN   90  20.52 +/- 3.19   0.261% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 94.9:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.946% * 99.0596% (0.92  10.0 10.00   1.00  94.86) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  31.22 +/- 6.20   0.024% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  31.68 +/- 7.13   0.030% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 94.9:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.982% * 99.4024% (0.76  10.0   1.00  94.86) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   8.00 +/- 0.82   1.121% *  0.0646% (0.25   1.0   0.02   3.57) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  13.54 +/- 4.33   0.547% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  17.68 +/- 2.43   0.122% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  25.88 +/- 6.53   0.043% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  32.96 +/- 4.14   0.016% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  24.16 +/- 3.74   0.048% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  31.22 +/- 6.20   0.024% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  28.19 +/- 3.27   0.027% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  30.01 +/- 4.24   0.026% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  32.11 +/- 5.66   0.024% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.87 +/- 4.62   0.019% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.1:
        T HN    GLN   90 - HN    ALA   91   2.67 +/- 0.47  93.214% * 99.6698% (0.95 10.00   6.75  32.14) =  99.998%  kept
          HN    GLY  109 - HN    ALA   91  11.63 +/- 2.43   1.863% *  0.0554% (0.53  1.00   0.02   0.02) =   0.001%
        T HN    GLN   90 - HN    TRP   27  20.45 +/- 4.95   0.389% *  0.1232% (0.12 10.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    ALA   91  19.77 +/- 2.48   0.333% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.35 +/- 1.05   1.235% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.53 +/- 4.24   0.694% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  16.79 +/- 9.23   2.090% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  23.41 +/- 2.35   0.181% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.54, support = 0.02, residual support = 2.55:
          HA    LEU   73 - HN    ALA   91  16.67 +/- 2.20  34.740% * 89.0027% (0.65   0.02   0.02) =  81.161%  kept
          HA    LEU   73 - HN    TRP   27  11.35 +/- 4.17  65.260% * 10.9973% (0.08   0.02  13.44) =  18.839%  kept
    Distance limit 4.43 A violated in 20 structures by 5.73 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 3.38, residual support = 25.6:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.02  44.944% * 89.2967% (1.00  10.0   3.12  14.40) =  87.943%  kept
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.04  52.595% * 10.4606% (0.12  10.0   5.31 107.20) =  12.056%  kept
          HA    VAL  107 - HN    ALA   91  15.11 +/- 1.42   0.352% *  0.0847% (0.95   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    ALA   91  20.53 +/- 4.29   0.182% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  16.24 +/- 3.60   0.498% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  13.41 +/- 3.23   0.787% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  21.30 +/- 4.88   0.289% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.56 +/- 2.69   0.142% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.91 +/- 4.37   0.120% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  24.62 +/- 3.48   0.092% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.66, residual support = 14.6:
          HN    ALA   91 - HN    MET   92   4.16 +/- 0.38  84.828% * 98.2812% (0.99   3.66  14.64) =  99.937%  kept
          HN    ALA   61 - HN    MET   92  16.05 +/- 3.08   3.484% *  0.5225% (0.97   0.02   0.02) =   0.022%
          HE3   TRP   87 - HN    MET   92  12.55 +/- 1.30   3.391% *  0.3931% (0.73   0.02   0.02) =   0.016%
          HN    TRP   27 - HN    MET   92  21.10 +/- 4.39   2.439% *  0.4856% (0.90   0.02   0.02) =   0.014%
          HD1   TRP   87 - HN    MET   92  10.78 +/- 1.65   5.413% *  0.1505% (0.28   0.02   0.02) =   0.010%
          HN    THR   39 - HN    MET   92  25.82 +/- 2.37   0.445% *  0.1671% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.51, residual support = 63.2:
      O   HA    MET   92 - HN    MET   92   2.78 +/- 0.05  88.388% * 99.1845% (0.25  10.0   4.52  63.17) =  99.985%  kept
          HA    PHE   45 - HN    MET   92   7.68 +/- 2.01  11.052% *  0.0992% (0.25   1.0   0.02   0.02) =   0.013%
          HA    VAL   41 - HN    MET   92  18.69 +/- 2.25   0.404% *  0.3185% (0.80   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    MET   92  23.81 +/- 2.16   0.156% *  0.3978% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.66, residual support = 14.6:
      O   HA    ALA   91 - HN    MET   92   2.56 +/- 0.23  95.997% * 99.6892% (0.80  10.0   3.66  14.64) =  99.997%  kept
          HA    PRO   52 - HN    MET   92  14.32 +/- 4.11   1.108% *  0.0855% (0.69   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    MET   92  13.23 +/- 1.11   0.785% *  0.0805% (0.65   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    MET   92  20.51 +/- 4.22   0.416% *  0.1201% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HN    MET   92  12.54 +/- 2.77   1.694% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.29, residual support = 27.1:
        T HN    PHE   45 - HN    THR   94   2.89 +/- 0.48  88.086% * 99.0130% (0.95 10.00   3.30  27.09) =  99.865%  kept
          HN    ALA  110 - HN    THR   94   9.19 +/- 2.87  11.914% *  0.9870% (1.00  1.00   0.19   0.02) =   0.135%  kept
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   9.03 +/- 0.70 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.36 A violated in 20 structures by 4.67 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.08, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.18 +/- 0.07  97.736% * 99.9112% (0.22  10.0   4.08  15.61) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   8.83 +/- 1.74   2.264% *  0.0888% (0.20   1.0   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.939, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.05 +/- 0.21  76.901% * 54.6147% (1.00   0.02   0.02) =  85.612%  kept
          HA    LYS+  74 - HN    THR   94   9.78 +/- 0.93  20.194% * 33.1992% (0.61   0.02   0.02) =  13.666%  kept
          HA    HIS  122 - HN    THR   94  18.94 +/- 2.13   2.905% * 12.1862% (0.22   0.02   0.02) =   0.722%  kept
    Distance limit 3.77 A violated in 20 structures by 2.20 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 41.4:
          HN    VAL  107 - HN    PHE   95   3.62 +/- 0.51  97.020% * 99.0525% (0.97   2.00  41.37) =  99.971%  kept
          HN    GLY   51 - HN    PHE   95  14.75 +/- 2.28   2.980% *  0.9475% (0.92   0.02   0.02) =   0.029%
    Distance limit 3.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.4:
          QD    PHE   95 - HN    PHE   95   2.82 +/- 0.56  88.305% * 99.3372% (0.87   3.86  73.47) =  99.962%  kept
          HN    ALA   47 - HN    PHE   95   9.98 +/- 1.66   4.381% *  0.5148% (0.87   0.02   0.02) =   0.026%
          QE    PHE   72 - HN    PHE   95   9.57 +/- 2.12   7.314% *  0.1480% (0.25   0.02   0.02) =   0.012%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.92 +/- 0.04 100.000% *100.0000% (1.00  10.0   4.33  73.47) = 100.000%  kept
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 15.1:
      O   HA    THR   94 - HN    PHE   95   2.38 +/- 0.19  97.042% * 99.8515% (0.65  10.0   3.16  15.11) =  99.998%  kept
          HA    LYS+  74 - HN    PHE   95  11.36 +/- 1.37   1.373% *  0.1180% (0.76   1.0   0.02   0.02) =   0.002%
          HA    MET   92 - HN    PHE   95   9.49 +/- 0.16   1.585% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.99, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.21 +/- 0.03 100.000% *100.0000% (0.95  10.0   3.99  11.96) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.4:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  95.539% * 99.9800% (0.94  10.0   4.09 115.41) =  99.999%  kept
          HA    PHE   72 - HN    MET   96   9.53 +/- 1.90   4.461% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.89, residual support = 60.7:
        T HN    ASP- 105 - HN    PHE   97   3.31 +/- 0.71  98.091% * 99.9802% (1.00 10.00   4.89  60.75) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  14.65 +/- 2.20   1.909% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.03 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   2.88 +/- 0.83  89.741% * 93.6820% (0.80   4.06  62.26) =  99.384%  kept
          HZ3   TRP   87 - HN    PHE   97   9.48 +/- 5.34   8.777% *  5.8569% (0.87   0.23   0.02) =   0.608%  kept
          HE3   TRP   49 - HN    PHE   97  20.26 +/- 3.59   1.482% *  0.4612% (0.80   0.02   0.02) =   0.008%
    Distance limit 3.54 A violated in 0 structures by 0.12 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.03, residual support = 10.9:
          HA    LYS+ 106 - HN    PHE   97   3.36 +/- 0.47 100.000% *100.0000% (0.98   3.03  10.88) = 100.000%  kept
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.0:
      O   HA    MET   96 - HN    PHE   97   2.27 +/- 0.08  98.853% * 99.9800% (0.99  10.0   6.07  44.01) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  11.20 +/- 1.98   1.147% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.44, residual support = 26.3:
        T HN    VAL   41 - HN    LEU   98   4.47 +/- 0.84 100.000% *100.0000% (0.69 10.00   5.44  26.26) = 100.000%  kept
    Distance limit 3.97 A violated in 3 structures by 0.63 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.95, residual support = 75.9:
      O   HA    LEU   98 - HN    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.80  10.0   4.95  75.93) = 100.000%  kept
    Distance limit 4.19 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 = 3.34, residual support = 10.6:
      O   HA    PHE   97 - HN    LEU   98   2.21 +/- 0.02 100.000% *100.0000% (0.98  10.0   3.34  10.62) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 1.49, residual support = 5.29:
          HA    LEU   40 - HN    LEU   98   6.09 +/- 0.94  25.886% * 68.2984% (0.53   2.06   9.89) =  51.457%  kept
          HA    VAL   42 - HN    LEU   98   3.73 +/- 1.26  65.487% * 25.3299% (0.45   0.90   0.41) =  48.279%  kept
          HA    GLU-  15 - HN    LEU   98  17.91 +/- 4.38   2.271% *  0.9143% (0.73   0.02   0.02) =   0.060%
          HA    GLN   17 - HN    LEU   98  17.01 +/- 5.18   1.618% *  1.2151% (0.97   0.02   0.02) =   0.057%
          HA    SER   37 - HN    LEU   98  14.75 +/- 0.93   1.256% *  1.2151% (0.97   0.02   0.02) =   0.044%
          HA    THR   46 - HN    LEU   98  15.27 +/- 1.39   1.183% *  1.2480% (0.99   0.02   0.02) =   0.043%
          HA    PRO   58 - HN    LEU   98  16.52 +/- 3.05   1.557% *  0.8649% (0.69   0.02   0.02) =   0.039%
          HA    SER   13 - HN    LEU   98  21.16 +/- 3.98   0.742% *  0.9143% (0.73   0.02   0.02) =   0.020%
    Distance limit 4.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 1.1, residual support = 1.52:
          HN    LYS+ 102 - HN    LYS+  99   3.23 +/- 0.71  71.389% * 59.2295% (0.95   0.88   1.66) =  89.788%  kept
          HN    ASP- 105 - HN    LYS+  99   6.36 +/- 0.31  12.442% * 38.2530% (0.18   3.06   0.34) =  10.106%  kept
          HN    GLU-  36 - HN    LYS+  99  13.17 +/- 2.10   1.767% *  1.1421% (0.80   0.02   0.02) =   0.043%
          HN    THR   39 - HN    LYS+  99  10.47 +/- 1.40   3.190% *  0.5353% (0.38   0.02   0.02) =   0.036%
          HD1   TRP   87 - HN    LYS+  99  16.09 +/- 3.74   1.151% *  0.5864% (0.41   0.02   0.02) =   0.014%
          HN    GLU-  36 - HN    GLN   30   9.75 +/- 0.66   3.682% *  0.0750% (0.05   0.02   0.02) =   0.006%
          HN    LYS+ 102 - HN    GLN   30  15.80 +/- 4.04   1.542% *  0.0886% (0.06   0.02   0.02) =   0.003%
          HN    THR   39 - HN    GLN   30  11.05 +/- 1.14   2.975% *  0.0352% (0.02   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    GLN   30  18.19 +/- 5.93   1.001% *  0.0385% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  17.33 +/- 3.42   0.860% *  0.0164% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.16 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.37, residual support = 18.5:
      O   HA    LEU   98 - HN    LYS+  99   2.32 +/- 0.08  99.368% * 99.9934% (0.99  10.0   4.37  18.51) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.66 +/- 3.10   0.632% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.25, residual support = 174.9:
      O   HA    LYS+  99 - HN    LYS+  99   2.89 +/- 0.03  88.556% * 99.5300% (0.80  10.0   5.25 174.90) =  99.996%  kept
          HA    ASN   35 - HN    LYS+  99  11.27 +/- 2.23   2.056% *  0.0804% (0.65   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    LYS+  99  17.55 +/- 2.83   0.556% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  20.54 +/- 6.41   0.590% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.40 +/- 2.10   0.208% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.01 +/- 3.11   0.278% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  16.18 +/- 3.32   0.690% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.18 +/- 3.35   1.975% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.53 +/- 0.53   1.874% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  24.62 +/- 8.40   2.019% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.17 +/- 3.53   0.450% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  26.75 +/- 3.92   0.152% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.00 +/- 3.29   0.199% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  20.22 +/- 5.15   0.397% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.997, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.31 +/- 0.49  80.556% * 99.8794% (1.00 10.00   3.61  14.93) =  99.971%  kept
          HN    LEU   40 - HN    GLU- 100   6.88 +/- 1.98  19.444% *  0.1206% (0.14  1.00   0.18   0.02) =   0.029%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 6.82, residual support = 39.7:
      O   HA    LYS+  99 - HN    GLU- 100   2.20 +/- 0.05  75.285% * 99.2091% (0.99  10.0   6.83  39.72) =  99.880%  kept
          HA    LEU   40 - HN    GLU- 100   4.99 +/- 1.97  21.238% *  0.4079% (0.20   1.0   0.41   0.02) =   0.116%  kept
          HA    ASN   35 - HN    GLU- 100   8.46 +/- 2.76   2.929% *  0.0924% (0.92   1.0   0.02   0.02) =   0.004%
          HA    LEU  123 - HN    GLU- 100  22.12 +/- 7.03   0.286% *  0.0801% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.00 +/- 3.03   0.072% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.18 +/- 2.34   0.054% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  19.30 +/- 2.70   0.136% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.50 +/- 0.88  90.964% * 98.8229% (0.95   3.13  12.51) =  99.972%  kept
          HN    GLU-  36 - HN    GLY  101  12.13 +/- 2.77   2.201% *  0.5348% (0.80   0.02   0.02) =   0.013%
          HN    THR   39 - HN    GLY  101  10.16 +/- 2.19   2.808% *  0.2507% (0.38   0.02   0.02) =   0.008%
          HN    ASP- 105 - HN    GLY  101   9.42 +/- 0.40   3.032% *  0.1170% (0.18   0.02   0.02) =   0.004%
          HD1   TRP   87 - HN    GLY  101  17.17 +/- 4.03   0.995% *  0.2746% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.979, support = 0.877, residual support = 1.66:
          HN    LYS+  99 - HN    LYS+ 102   3.23 +/- 0.71  91.642% * 94.7531% (0.98   0.88   1.66) =  99.905%  kept
          HE1   HIS  122 - HN    LYS+ 102  17.53 +/- 7.10   1.782% *  2.0830% (0.95   0.02   0.02) =   0.043%
          HN    GLU-  14 - HN    LYS+ 102  22.95 +/- 6.24   1.197% *  1.8393% (0.84   0.02   0.02) =   0.025%
          HN    GLN   30 - HN    LYS+ 102  15.80 +/- 4.04   2.008% *  0.5491% (0.25   0.02   0.02) =   0.013%
          HN    ASN   35 - HN    LYS+ 102  12.56 +/- 2.96   2.594% *  0.3398% (0.15   0.02   0.02) =   0.010%
          HN    ASP-  86 - HN    LYS+ 102  19.02 +/- 4.31   0.776% *  0.4358% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.63 A violated in 0 structures by 0.12 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   2.50 +/- 0.88  98.151% * 99.9864% (1.00 10.00   3.13  12.51) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  11.10 +/- 1.82   1.849% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.05 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   3.31 +/- 0.49 100.000% *100.0000% (0.80 10.00   3.61  14.93) = 100.000%  kept
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.41, residual support = 1.37:
          HA    LYS+  99 - HN    GLY  101   4.09 +/- 0.58  71.141% * 89.9658% (0.99   1.43   1.39) =  98.401%  kept
          HA    LEU   40 - HN    GLY  101   7.57 +/- 2.05  17.711% *  5.1752% (0.20   0.41   0.02) =   1.409%  kept
          HA    ASN   35 - HN    GLY  101  10.39 +/- 3.15   8.673% *  1.1723% (0.92   0.02   0.02) =   0.156%  kept
          HA    LEU  123 - HN    GLY  101  23.38 +/- 7.06   1.077% *  1.0169% (0.80   0.02   0.02) =   0.017%
          HA    ILE   56 - HN    GLY  101  25.00 +/- 3.15   0.371% *  1.1389% (0.90   0.02   0.02) =   0.007%
          HA    ASP- 113 - HN    GLY  101  25.46 +/- 2.19   0.347% *  1.1389% (0.90   0.02   0.02) =   0.006%
          HA    PHE   59 - HN    GLY  101  20.55 +/- 3.06   0.679% *  0.3920% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.67 +/- 0.18  94.468% * 99.5220% (1.00  10.0   2.86  15.43) =  99.995%  kept
          HA    ALA   34 - HN    GLY  101  10.32 +/- 2.99   2.783% *  0.0963% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    GLY  101  14.36 +/- 3.80   1.186% *  0.0833% (0.84   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLY  101  18.52 +/- 4.10   0.425% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  20.11 +/- 2.87   0.260% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  23.08 +/- 2.59   0.170% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  24.65 +/- 7.94   0.606% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  26.87 +/- 2.99   0.103% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.56, residual support = 37.9:
          HN    LEU  104 - HN    ILE  103   4.55 +/- 0.17  97.542% * 99.3903% (0.49   6.57  37.87) =  99.985%  kept
          HN    PHE   72 - HN    ILE  103  15.96 +/- 1.26   2.458% *  0.6097% (0.98   0.02   0.02) =   0.015%
    Distance limit 4.47 A violated in 0 structures by 0.12 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 23.6:
      O   HA    LYS+ 102 - HN    ILE  103   2.29 +/- 0.12  99.151% * 99.7796% (0.97  10.0   5.98  23.56) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  20.67 +/- 3.51   0.189% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  26.56 +/- 4.05   0.133% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.83 +/- 0.73   0.185% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.86 +/- 3.82   0.173% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.73 +/- 3.11   0.169% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.0, residual support = 139.0:
      O   HA    ILE  103 - HN    ILE  103   2.77 +/- 0.14  92.308% * 99.2916% (0.98  10.0   7.00 138.98) =  99.994%  kept
          HA    MET   11 - HN    ILE  103  29.43 +/- 6.94   2.328% *  0.0846% (0.84   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ILE  103  13.70 +/- 1.47   0.865% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ILE  103  14.54 +/- 1.65   0.760% *  0.0846% (0.84   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ILE  103  18.33 +/- 3.64   0.420% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  18.84 +/- 2.51   0.372% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  22.45 +/- 3.45   0.248% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  27.01 +/- 5.58   0.795% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  15.60 +/- 4.81   0.892% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.19 +/- 2.94   0.348% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  27.51 +/- 3.83   0.194% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  24.07 +/- 5.33   0.471% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 7.05, residual support = 35.9:
        T HN    ASP- 105 - HN    LEU  104   2.46 +/- 0.63  99.136% * 99.9802% (1.00 10.00   7.05  35.90) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  17.08 +/- 2.75   0.864% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.66, residual support = 10.1:
          HA    LEU   98 - HN    LEU  104   2.73 +/- 0.69 100.000% *100.0000% (0.80   3.66  10.11) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.05 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 37.9:
      O   HA    ILE  103 - HN    LEU  104   2.30 +/- 0.17  95.788% * 99.2645% (0.95  10.0   6.61  37.87) =  99.997%  kept
          HA    ASP-  44 - HN    LEU  104  11.55 +/- 1.24   0.922% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU  104  13.03 +/- 1.39   0.571% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  18.06 +/- 2.01   0.243% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  27.72 +/- 6.01   0.225% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  19.38 +/- 2.71   0.216% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.73 +/- 3.31   0.990% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  17.17 +/- 3.80   0.363% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.05 +/- 3.83   0.240% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  22.13 +/- 2.36   0.132% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  25.28 +/- 4.75   0.135% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  22.23 +/- 4.35   0.175% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.89, residual support = 60.7:
        T HN    PHE   97 - HN    ASP- 105   3.31 +/- 0.71  95.559% * 99.7623% (0.73 10.00   4.89  60.75) =  99.996%  kept
          HN    LEU  115 - HN    ASP- 105  13.59 +/- 2.09   2.582% *  0.0998% (0.73  1.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    ASP- 105  27.04 +/- 5.40   0.719% *  0.0998% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASN   35 - HN    ASP- 105  16.51 +/- 1.78   1.140% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.05, residual support = 35.9:
        T HN    LEU  104 - HN    ASP- 105   2.46 +/- 0.63  98.808% * 99.9822% (0.87 10.00   7.05  35.90) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.51 +/- 1.29   1.192% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 135.5:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.90 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.17 135.46) = 100.000%  kept
    Distance limit 3.86 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 = 21.9:
      O   HA    ASP- 105 - HN    LYS+ 106   2.48 +/- 0.07  96.423% * 99.6913% (0.92  10.0   3.49  21.95) =  99.997%  kept
          HB    THR   23 - HN    LYS+ 106  23.28 +/- 5.73   2.174% *  0.1078% (1.00   1.0   0.02   0.02) =   0.002%
          HA    THR   23 - HN    LYS+ 106  22.29 +/- 5.04   1.035% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HN    LYS+ 106  21.20 +/- 2.08   0.170% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  20.94 +/- 2.09   0.198% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 41.2:
      O   HA    ASP- 105 - HN    ASP- 105   2.87 +/- 0.04  91.497% * 99.6913% (0.92  10.0   4.34  41.18) =  99.992%  kept
          HB    THR   23 - HN    ASP- 105  21.73 +/- 5.80   4.458% *  0.1078% (1.00   1.0   0.02   0.02) =   0.005%
          HA    THR   23 - HN    ASP- 105  20.86 +/- 5.33   3.510% *  0.0655% (0.61   1.0   0.02   0.02) =   0.003%
          HA    LEU   80 - HN    ASP- 105  20.58 +/- 2.63   0.291% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  21.20 +/- 1.73   0.245% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.39, support = 5.73, residual support = 30.7:
      O   HA    LEU  104 - HN    ASP- 105   3.54 +/- 0.20  55.693% * 77.0666% (0.34  10.0   6.25  35.90) =  84.051%  kept
          HA    ILE  103 - HN    ASP- 105   4.22 +/- 0.71  37.799% * 21.5218% (0.65   1.0   2.95   3.24) =  15.931%  kept
          HA    ASP-  44 - HN    ASP- 105  10.72 +/- 1.12   2.203% *  0.1887% (0.84   1.0   0.02   0.02) =   0.008%
          HA    ASP-  86 - HN    ASP- 105  17.76 +/- 3.32   0.563% *  0.1809% (0.80   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ASP- 105  17.65 +/- 1.92   0.529% *  0.1727% (0.76   1.0   0.02   0.02) =   0.002%
          HA    MET   11 - HN    ASP- 105  28.22 +/- 5.82   0.344% *  0.1960% (0.87   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP- 105  19.57 +/- 2.33   0.371% *  0.1727% (0.76   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP- 105  22.70 +/- 3.90   0.318% *  0.1641% (0.73   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  14.02 +/- 1.17   0.990% *  0.0503% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  25.80 +/- 4.50   0.243% *  0.1887% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP- 105  23.51 +/- 3.74   0.703% *  0.0349% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  22.26 +/- 1.98   0.246% *  0.0628% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.24, residual support = 5.17:
          QD    PHE   97 - HN    VAL  107   4.91 +/- 1.47  70.802% * 99.0099% (0.87   2.25   5.19) =  99.722%  kept
          HZ3   TRP   87 - HN    VAL  107  11.21 +/- 4.37  22.564% *  0.8124% (0.80   0.02   0.02) =   0.261%  kept
          HE3   TRP   49 - HN    VAL  107  17.43 +/- 3.30   6.634% *  0.1777% (0.18   0.02   0.02) =   0.017%
    Distance limit 4.47 A violated in 3 structures by 0.70 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.4:
      O   HA    LYS+ 106 - HN    VAL  107   2.24 +/- 0.08 100.000% *100.0000% (0.98  10.0   4.58  26.36) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.65, residual support = 60.1:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  94.420% * 99.7406% (0.95  10.0   3.65  60.10) =  99.998%  kept
          HA    ALA   91 - HN    VAL  107  14.18 +/- 0.78   0.870% *  0.1052% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    VAL  107   9.54 +/- 1.44   3.456% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  17.76 +/- 1.99   0.492% *  0.0997% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  107  16.45 +/- 2.61   0.762% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.84, residual support = 60.7:
          QD    PHE   97 - HN    ASP- 105   3.66 +/- 0.56  89.240% * 99.6160% (0.87   5.84  60.75) =  99.972%  kept
          HZ3   TRP   87 - HN    ASP- 105  11.51 +/- 5.50   7.156% *  0.3151% (0.80   0.02   0.02) =   0.025%
          HE3   TRP   49 - HN    ASP- 105  22.54 +/- 4.44   3.604% *  0.0689% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.668, support = 0.544, residual support = 0.128:
          HA    LYS+  74 - HN    GLY  109  16.53 +/- 2.44   5.951% * 97.5428% (0.74   0.64   0.15) =  84.543%  kept
          HA    THR   94 - HN    GLY  109   5.90 +/- 1.91  75.229% *  1.0617% (0.26   0.02   0.02) =  11.632%  kept
          HA    MET   92 - HN    GLY  109   9.58 +/- 2.65  18.820% *  1.3954% (0.34   0.02   0.02) =   3.825%  kept
    Distance limit 4.41 A violated in 8 structures by 1.60 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 +/- 0.21  37.818% * 65.3009% (0.73  10.0   1.76   9.36) =  54.710%  kept
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.04  59.365% * 34.4347% (0.34  10.0   2.66   7.39) =  45.287%  kept
          HA    ALA   47 - HN    GLY  109  12.79 +/- 3.82   1.763% *  0.0435% (0.43   1.0   0.02   0.02) =   0.002%
          HA    CYS   50 - HN    GLY  109  14.01 +/- 3.10   0.464% *  0.0753% (0.74   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    GLY  109  15.99 +/- 4.32   0.424% *  0.0666% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY  109  23.10 +/- 2.71   0.069% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.14 +/- 0.69   0.096% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.11:
          HN    LYS+ 111 - HN    ALA  110   3.22 +/- 0.93  94.149% * 97.3090% (0.90   3.04   9.12) =  99.964%  kept
          HN    ILE   56 - HN    ALA  110  12.50 +/- 2.49   2.378% *  0.6995% (0.98   0.02   0.51) =   0.018%
          HN    LEU   63 - HN    ALA  110  15.96 +/- 2.57   1.308% *  0.6588% (0.92   0.02   0.02) =   0.009%
          HN    ALA   84 - HN    ALA  110  18.26 +/- 3.00   0.823% *  0.6400% (0.90   0.02   0.02) =   0.006%
          HZ2   TRP   87 - HN    ALA  110  17.83 +/- 3.16   0.836% *  0.1250% (0.18   0.02   0.02) =   0.001%
          HD21  ASN   28 - HN    ALA  110  24.37 +/- 2.93   0.340% *  0.2203% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  31.30 +/- 2.69   0.165% *  0.3474% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.14:
      O   HA1   GLY  109 - HN    ALA  110   3.27 +/- 0.40  56.929% * 93.8843% (0.69  10.0   2.07   6.39) =  95.979%  kept
          HA    VAL  108 - HN    ALA  110   4.50 +/- 1.30  38.696% *  5.7753% (0.80   1.0   1.06   0.02) =   4.013%  kept
          HA    ALA   47 - HN    ALA  110  13.57 +/- 3.99   1.509% *  0.1226% (0.90   1.0   0.02   0.02) =   0.003%
          HA    CYS   50 - HN    ALA  110  13.89 +/- 3.53   1.477% *  0.0992% (0.73   1.0   0.02   0.02) =   0.003%
          HA    TRP   49 - HN    ALA  110  15.99 +/- 4.78   1.147% *  0.0719% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA  110  23.73 +/- 3.66   0.243% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.58:
      O   HA    ALA  110 - HN    ALA  110   2.48 +/- 0.30  90.516% * 98.1886% (0.18  10.0   2.74   9.58) =  99.947%  kept
          HA    VAL  107 - HN    ALA  110   6.93 +/- 1.25   7.373% *  0.5304% (0.95   1.0   0.02   0.02) =   0.044%
          HA    ALA   91 - HN    ALA  110  12.98 +/- 3.33   1.025% *  0.5594% (1.00   1.0   0.02   0.02) =   0.006%
          HA    PRO   52 - HN    ALA  110  13.45 +/- 3.31   0.954% *  0.1912% (0.34   1.0   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    ALA  110  23.28 +/- 2.90   0.132% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.5:
        T HN    LYS+ 112 - HN    LYS+ 111   4.39 +/- 0.16  89.135% * 99.8172% (0.99 10.00   5.34  28.47) =  99.997%  kept
          HN    LYS+  74 - HN    LYS+ 111  19.59 +/- 3.75   1.666% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    THR   46 - HN    LYS+ 111  13.85 +/- 2.46   3.955% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    ASP-  78 - HN    LYS+ 111  18.13 +/- 4.25   4.983% *  0.0155% (0.15  1.00   0.02   0.02) =   0.001%
          HN    MET   11 - HN    LYS+ 111  34.45 +/- 6.83   0.261% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.28 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.12:
        T HN    ALA  110 - HN    LYS+ 111   3.22 +/- 0.93  97.360% * 99.9053% (1.00 10.00   3.04   9.12) =  99.997%  kept
          HN    PHE   45 - HN    LYS+ 111  12.28 +/- 2.07   2.640% *  0.0947% (0.95  1.00   0.02   0.02) =   0.003%
    Distance limit 4.33 A violated in 0 structures by 0.06 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.774, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  12.03 +/- 1.81  39.704% * 58.2608% (1.00   0.02   0.02) =  65.119%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.94 +/- 1.34  39.837% * 19.8732% (0.34   0.02   0.02) =  22.287%  kept
          HD2   HIS  122 - HN    LYS+ 111  15.06 +/- 1.31  20.459% * 21.8659% (0.38   0.02   0.02) =  12.594%  kept
    Distance limit 4.49 A violated in 20 structures by 5.71 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   2.99 +/- 0.39  82.865% * 99.3312% (0.45  10.0   3.04   9.12) =  99.961%  kept
          HA    VAL  107 - HN    LYS+ 111   7.64 +/- 2.12  13.560% *  0.2138% (0.97   1.0   0.02   0.02) =   0.035%
          HA    ALA   91 - HN    LYS+ 111  14.44 +/- 2.80   1.069% *  0.1922% (0.87   1.0   0.02   0.02) =   0.002%
          HA    PHE   55 - HN    LYS+ 111  12.52 +/- 2.85   1.749% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LYS+ 111  17.21 +/- 2.63   0.559% *  0.0756% (0.34   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LYS+ 111  23.72 +/- 3.02   0.197% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.15 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.5:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.43 +/- 0.24  96.226% * 99.8075% (0.53  10.0   7.09  28.47) =  99.996%  kept
          HA    VAL  108 - HN    LYS+ 112   9.37 +/- 1.08   2.252% *  0.1074% (0.57   1.0   0.02   0.02) =   0.003%
          HA    ALA   47 - HN    LYS+ 112  14.02 +/- 3.03   1.522% *  0.0851% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.39, residual support = 22.9:
        T HN    GLU- 114 - HN    ASP- 113   2.66 +/- 0.17  82.385% * 94.3079% (0.81 10.00   4.42  23.12) =  99.054%  kept
          HN    GLN  116 - HN    ASP- 113   5.02 +/- 0.39  13.382% *  5.5262% (0.76  1.00   1.24   1.85) =   0.943%  kept
          HN    THR  118 - HN    ASP- 113   8.50 +/- 0.51   2.633% *  0.0645% (0.55  1.00   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ASP- 113  11.30 +/- 1.87   1.385% *  0.0410% (0.35  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    ASP- 113  21.76 +/- 3.36   0.214% *  0.0605% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.42, residual support = 23.1:
        T HN    ASP- 113 - HN    GLU- 114   2.66 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.42  23.12) = 100.000%  kept
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.956, support = 3.8, residual support = 43.0:
      O   HA    GLU- 114 - HN    GLU- 114   2.80 +/- 0.05  83.302% * 89.0687% (0.97  10.0   3.79  43.42) =  98.006%  kept
          HA    LEU  115 - HN    GLU- 114   5.10 +/- 0.18  14.199% * 10.6271% (0.53   1.0   4.38  20.96) =   1.993%  kept
          HA    CYS   53 - HN    GLU- 114  11.10 +/- 2.22   2.003% *  0.0285% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLU- 114  27.62 +/- 4.21   0.118% *  0.0873% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.77 +/- 1.96   0.128% *  0.0801% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.08 +/- 2.27   0.113% *  0.0634% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  25.71 +/- 3.38   0.136% *  0.0449% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 3.71:
          HA    LYS+ 111 - HN    ASP- 113   4.01 +/- 0.45  84.270% * 99.1985% (0.74   2.18   3.71) =  99.945%  kept
          HA    PRO   52 - HN    ASP- 113  11.92 +/- 3.58   7.240% *  0.3571% (0.29   0.02   0.02) =   0.031%
          HA    VAL  108 - HN    ASP- 113  10.38 +/- 0.94   6.322% *  0.2611% (0.21   0.02   0.02) =   0.020%
          HA    ALA   47 - HN    ASP- 113  15.96 +/- 2.59   2.168% *  0.1834% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.30 A violated in 0 structures by 0.08 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.47, residual support = 14.4:
      O   HA    ASP- 113 - HN    ASP- 113   2.74 +/- 0.07  93.259% * 99.6702% (0.85  10.0   3.47  14.41) =  99.996%  kept
          HA    ILE   56 - HN    ASP- 113   9.35 +/- 2.32   3.970% *  0.0606% (0.52   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    ASP- 113  10.91 +/- 1.40   1.796% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  16.78 +/- 1.81   0.476% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.44 +/- 1.89   0.158% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  29.55 +/- 1.81   0.078% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  21.12 +/- 2.75   0.262% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.935, support = 8.11, residual support = 86.0:
        T HN    GLN  116 - HN    LEU  115   2.70 +/- 0.21  42.749% * 83.2406% (0.99 10.00   8.71  98.90) =  83.563%  kept
          HN    GLU- 114 - HN    LEU  115   2.58 +/- 0.20  48.885% * 14.0316% (0.65  1.00   5.17  20.96) =  16.108%  kept
          HN    THR  118 - HN    LEU  115   5.20 +/- 0.44   6.631% *  1.9508% (0.95  1.00   0.49   0.02) =   0.304%  kept
          HN    PHE   60 - HN    LEU  115   9.07 +/- 1.66   1.462% *  0.7406% (0.76  1.00   0.23   0.02) =   0.025%
          HN    LEU   71 - HN    LEU  115  18.69 +/- 3.50   0.218% *  0.0234% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.07 +/- 3.60   0.056% *  0.0130% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 8.71, residual support = 98.9:
        T HN    LEU  115 - HN    GLN  116   2.70 +/- 0.21  98.952% * 99.8619% (0.98 10.00   8.71  98.90) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  13.54 +/- 2.17   0.942% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  29.78 +/- 5.97   0.106% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.58, residual support = 28.6:
        T HN    SER  117 - HN    GLN  116   2.73 +/- 0.10  99.579% * 99.8966% (0.97 10.00   5.58  28.55) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  23.98 +/- 3.77   0.198% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  25.01 +/- 3.21   0.223% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.968, support = 4.2, residual support = 17.2:
        T HN    GLN  116 - HN    SER  117   2.73 +/- 0.10  45.387% * 50.0759% (0.99 10.00   5.58  28.55) =  51.524%  kept
        T HN    THR  118 - HN    SER  117   2.75 +/- 0.17  44.417% * 47.7927% (0.95 10.00   2.74   5.06) =  48.124%  kept
          HN    GLU- 114 - HN    SER  117   4.85 +/- 0.41   8.746% *  1.7235% (0.65  1.00   1.05   0.81) =   0.342%  kept
        T HN    PHE   60 - HN    SER  117  10.10 +/- 1.41   1.087% *  0.3861% (0.76 10.00   0.02   0.02) =   0.010%
          HN    LEU   71 - HN    SER  117  18.95 +/- 4.06   0.278% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.74 +/- 4.63   0.085% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.65, residual support = 119.0:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  98.850% * 99.8133% (0.95  10.0   2.65 119.05) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   9.14 +/- 1.51   0.877% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  16.69 +/- 2.05   0.130% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.46 +/- 5.66   0.143% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.65, residual support = 119.0:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  92.741% * 99.7477% (0.90  10.0 10.00   2.65 119.05) =  99.992%  kept
          HN    ALA  120 - HE22  GLN  116   6.45 +/- 1.83   5.783% *  0.1090% (0.98   1.0  1.00   0.02   0.18) =   0.007%
          HN    ALA   57 - HE22  GLN  116  10.27 +/- 2.25   0.804% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN  116  11.50 +/- 3.00   0.645% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  27.91 +/- 2.92   0.026% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.986, support = 1.18, residual support = 1.81:
          HA    ASP- 113 - HN    GLN  116   3.74 +/- 0.34  71.479% * 84.7910% (1.00   1.21   1.85) =  97.020%  kept
          HA    PHE   59 - HN    GLN  116   7.36 +/- 1.49  15.354% * 11.4273% (0.61   0.27   0.52) =   2.809%  kept
          HA    ILE   56 - HN    GLN  116   7.96 +/- 1.36   9.745% *  0.8510% (0.61   0.02   0.02) =   0.133%  kept
          HA    LEU  123 - HN    GLN  116  12.62 +/- 1.09   2.179% *  0.6830% (0.49   0.02   0.02) =   0.024%
          HA    LYS+  99 - HN    GLN  116  20.32 +/- 2.72   0.523% *  1.1235% (0.80   0.02   0.02) =   0.009%
          HA    ASN   35 - HN    GLN  116  26.36 +/- 2.57   0.225% *  0.9077% (0.65   0.02   0.02) =   0.003%
          HA    TRP   87 - HN    GLN  116  20.88 +/- 2.80   0.495% *  0.2165% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.81, residual support = 119.0:
      O   HA    GLN  116 - HN    GLN  116   2.74 +/- 0.04  97.677% * 99.5202% (1.00  10.0   6.81 119.05) =  99.999%  kept
          HA    VAL   70 - HN    GLN  116  18.00 +/- 3.38   0.531% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    GLN  116  20.08 +/- 3.38   0.332% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  17.31 +/- 2.58   0.692% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  27.18 +/- 4.14   0.143% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  27.82 +/- 3.21   0.115% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  25.97 +/- 2.79   0.154% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  25.76 +/- 3.08   0.142% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  23.69 +/- 4.29   0.214% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.914, support = 7.07, residual support = 175.0:
      O   HA    LEU  115 - HN    LEU  115   2.80 +/- 0.06  65.699% * 60.5049% (1.00  10.0   7.76 223.00) =  76.229%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.57 +/- 0.06  31.596% * 39.2280% (0.65  10.0   4.85  20.96) =  23.769%  kept
          HA    ARG+  54 - HN    LEU  115  12.02 +/- 2.01   1.461% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU  115  16.99 +/- 1.27   0.315% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  23.86 +/- 3.44   0.143% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.09 +/- 2.18   0.115% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.13 +/- 2.22   0.127% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  21.88 +/- 3.40   0.423% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  25.78 +/- 4.10   0.120% *  0.0187% (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 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.64, residual support = 15.4:
      O   HA    SER  117 - HN    SER  117   2.74 +/- 0.06  98.549% * 99.4282% (0.38  10.0   3.64  15.38) =  99.997%  kept
          HA    ASP-  62 - HN    SER  117  13.14 +/- 1.39   1.000% *  0.2506% (0.95   1.0   0.02   0.02) =   0.003%
          HB    THR   26 - HN    SER  117  25.00 +/- 5.57   0.280% *  0.2025% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    SER  117  26.70 +/- 3.14   0.171% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.85, residual support = 52.3:
        T HN    ILE  119 - HN    ALA  120   2.62 +/- 0.21  98.318% * 99.2864% (0.83 10.00   5.85  52.29) =  99.993%  kept
        T HN    CYS   21 - HN    ALA  120  20.74 +/- 5.69   1.324% *  0.4963% (0.41 10.00   0.02   0.02) =   0.007%
          HN    SER   37 - HN    ALA  120  25.42 +/- 4.76   0.200% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  23.46 +/- 2.21   0.158% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.75, residual support = 54.5:
          HN    HIS  122 - HN    LYS+ 121   2.71 +/- 0.04  88.814% * 99.4555% (0.80   6.75  54.49) =  99.988%  kept
          QE    PHE   59 - HN    LYS+ 121   6.13 +/- 0.99   9.220% *  0.0735% (0.20   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    LYS+ 121  10.88 +/- 1.70   1.651% *  0.1788% (0.49   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LYS+ 121  21.43 +/- 5.23   0.315% *  0.2922% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.256, support = 6.28, residual support = 39.0:
          HN    LEU  123 - HN    HIS  122   2.15 +/- 0.16  95.033% * 91.2959% (0.26   6.30  39.15) =  99.662%  kept
          HN    ALA  124 - HN    HIS  122   6.54 +/- 0.18   3.460% *  8.4446% (0.09   1.70   0.02) =   0.336%  kept
          HE21  GLN   17 - HN    HIS  122  20.78 +/- 6.51   1.203% *  0.1362% (0.12   0.02   0.02) =   0.002%
          HZ2   TRP   49 - HN    HIS  122  19.74 +/- 4.79   0.304% *  0.1232% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.3, residual support = 39.1:
          HN    HIS  122 - HN    LEU  123   2.15 +/- 0.16  96.667% * 99.1924% (0.87   6.30  39.15) =  99.992%  kept
          QE    PHE   59 - HN    LEU  123   7.67 +/- 0.92   2.476% *  0.1911% (0.53   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    LEU  123  11.75 +/- 1.73   0.719% *  0.3257% (0.90   0.02   0.02) =   0.002%
          HH2   TRP   87 - HN    LEU  123  23.65 +/- 5.25   0.138% *  0.2908% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.16, residual support = 12.3:
      O   HA    LEU  123 - HN    ALA  124   2.27 +/- 0.03  96.545% * 99.5133% (1.00  10.0   4.16  12.34) =  99.998%  kept
          HA    LYS+  99 - HN    ALA  124  21.80 +/- 7.09   0.457% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  16.85 +/- 3.18   0.331% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  20.95 +/- 7.27   0.626% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  15.94 +/- 2.36   0.370% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  25.90 +/- 8.35   0.210% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  25.97 +/- 9.65   0.648% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  23.24 +/- 7.76   0.460% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.00 +/- 2.32   0.352% *  0.0340% (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 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.82, residual support = 9.16:
      O   HA    ALA  124 - HN    ALA  124   2.76 +/- 0.24  97.031% * 99.5744% (1.00  10.0   1.82   9.16) =  99.998%  kept
          HA    ARG+  54 - HN    ALA  124  20.52 +/- 4.19   0.486% *  0.1061% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    ALA  124  27.02 +/- 8.91   0.703% *  0.0535% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA  124  15.28 +/- 0.75   0.603% *  0.0493% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  28.62 +/- 8.60   0.293% *  0.0755% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  24.32 +/- 7.59   0.619% *  0.0339% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  32.63 +/- 3.83   0.070% *  0.0880% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  26.42 +/- 7.09   0.195% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 39.2:
      O   HA    HIS  122 - HN    LEU  123   3.43 +/- 0.08  97.383% * 99.8702% (1.00  10.0   4.89  39.15) =  99.998%  kept
          HA    VAL   41 - HN    LEU  123  18.91 +/- 5.34   1.661% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    LEU  123  20.68 +/- 1.67   0.484% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.96 +/- 2.82   0.471% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 6.24, residual support = 203.9:
      O   HA    LEU  123 - HN    LEU  123   2.91 +/- 0.03  91.594% * 99.5133% (1.00  10.0   6.24 203.91) =  99.994%  kept
          HA    ILE   56 - HN    LEU  123  13.79 +/- 3.26   1.504% *  0.0989% (0.99   1.0   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    LEU  123  18.86 +/- 6.32   0.881% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  12.92 +/- 1.63   1.292% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    LEU  123  18.20 +/- 6.36   1.307% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  13.20 +/- 2.17   1.469% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    LEU  123  23.86 +/- 6.86   0.450% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  24.87 +/- 8.20   0.803% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  21.98 +/- 6.15   0.700% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.7, residual support = 75.9:
          HD2   HIS  122 - HN    HIS  122   2.70 +/- 0.38  91.503% * 97.2234% (0.11   6.70  75.97) =  99.945%  kept
          HE22  GLN   17 - HN    HIS  122  21.38 +/- 6.65   3.332% *  0.9216% (0.35   0.02   0.02) =   0.035%
          HE22  GLN  116 - HN    HIS  122   9.51 +/- 2.04   4.793% *  0.3207% (0.12   0.02   0.02) =   0.017%
          HE22  GLN   32 - HN    HIS  122  28.10 +/- 7.70   0.298% *  0.8156% (0.31   0.02   0.02) =   0.003%
          HE22  GLN   90 - HN    HIS  122  30.22 +/- 2.16   0.074% *  0.7186% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.25, residual support = 76.0:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.03  98.429% * 99.8131% (0.30  10.0   5.25  75.97) =  99.998%  kept
          HA    VAL   41 - HN    HIS  122  17.30 +/- 5.21   1.193% *  0.1192% (0.35   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    HIS  122  18.99 +/- 1.59   0.378% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.608, support = 5.22, residual support = 182.0:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  62.278% * 38.4533% (0.49  10.0   6.44 313.78) =  57.627%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.57 +/- 0.02  28.776% * 61.1842% (0.77  10.0   3.57   2.71) =  42.368%  kept
          QB    SER  117 - HN    LYS+ 121   6.00 +/- 0.59   6.799% *  0.0176% (0.22   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    LYS+ 121  16.84 +/- 1.91   0.332% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  21.78 +/- 5.82   0.310% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.99 +/- 1.75   0.294% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  21.36 +/- 3.64   0.304% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  21.15 +/- 3.19   0.187% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  19.64 +/- 3.43   0.361% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  25.48 +/- 2.64   0.091% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  24.98 +/- 6.18   0.183% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  25.94 +/- 2.84   0.086% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.734, support = 3.57, residual support = 13.3:
      O   HA    ALA  120 - HN    ALA  120   2.73 +/- 0.03  74.448% * 90.6703% (0.74  10.0   3.57  13.48) =  98.663%  kept
          HA    LYS+ 121 - HN    ALA  120   5.29 +/- 0.09  10.352% *  8.0538% (0.35   1.0   3.79   2.71) =   1.219%  kept
          QB    SER  117 - HN    ALA  120   5.01 +/- 0.31  12.471% *  0.6365% (0.12   1.0   0.83   5.21) =   0.116%  kept
          HA    LYS+  65 - HN    ALA  120  16.54 +/- 1.82   0.389% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    ALA  120  22.29 +/- 5.48   0.379% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ALA  120  18.38 +/- 3.01   0.464% *  0.0596% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.62 +/- 1.60   0.364% *  0.0508% (0.41   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  20.32 +/- 3.24   0.279% *  0.0641% (0.52   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  25.52 +/- 2.50   0.106% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  20.02 +/- 3.01   0.278% *  0.0349% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.01 +/- 5.44   0.161% *  0.0386% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  21.45 +/- 3.19   0.207% *  0.0175% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  25.83 +/- 2.72   0.101% *  0.0349% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.52, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.342, support = 3.43, residual support = 119.0:
      O   HG3   GLN  116 - HE22  GLN  116   3.84 +/- 0.49  44.133% * 62.0774% (0.41  10.0   3.23 119.05) =  57.296%  kept
      O   HG2   GLN  116 - HE22  GLN  116   3.58 +/- 0.42  54.230% * 37.6518% (0.25  10.0   3.71 119.05) =  42.702%  kept
          HB3   PHE   95 - HE22  GLN  116  13.45 +/- 1.98   1.271% *  0.0466% (0.31   1.0   0.02   0.75) =   0.001%
          HG2   GLU-  25 - HE22  GLN  116  30.95 +/- 7.53   0.149% *  0.1507% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE22  GLN  116  23.81 +/- 2.59   0.218% *  0.0735% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.24, residual support = 12.3:
          HB2   LEU  123 - HN    ALA  124   4.05 +/- 0.17  83.665% * 96.2421% (0.76   4.24  12.34) =  99.912%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.28 +/- 0.31   7.231% *  0.4312% (0.73   0.02   0.02) =   0.039%
          QD    LYS+  38 - HN    ALA  124  22.59 +/- 8.19   2.879% *  0.5618% (0.95   0.02   0.02) =   0.020%
          QD    LYS+  65 - HN    ALA  124  17.57 +/- 3.29   1.718% *  0.4539% (0.76   0.02   0.02) =   0.010%
          QD    LYS+ 102 - HN    ALA  124  23.23 +/- 6.40   1.122% *  0.5618% (0.95   0.02   0.02) =   0.008%
          HG3   PRO   93 - HN    ALA  124  23.71 +/- 4.07   0.848% *  0.4755% (0.80   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    ALA  124  21.92 +/- 1.97   0.600% *  0.2891% (0.49   0.02   0.02) =   0.002%
          HB    VAL   83 - HN    ALA  124  30.21 +/- 3.38   0.253% *  0.4961% (0.84   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    ALA  124  25.45 +/- 3.36   0.544% *  0.2229% (0.38   0.02   0.02) =   0.002%
          HB2   LEU   73 - HN    ALA  124  24.21 +/- 4.45   0.603% *  0.1481% (0.25   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ALA  124  24.02 +/- 3.78   0.538% *  0.1175% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.05 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.82, residual support = 9.16:
      O   QB    ALA  124 - HN    ALA  124   2.34 +/- 0.31  92.504% * 98.5561% (0.65  10.0   1.82   9.16) =  99.994%  kept
          HG3   LYS+  33 - HN    ALA  124  25.52 +/- 8.90   1.376% *  0.0817% (0.49   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ALA  124  23.14 +/- 8.37   2.745% *  0.0294% (0.18   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA  124  19.63 +/- 5.06   0.618% *  0.0950% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA  124  18.05 +/- 2.82   0.277% *  0.1283% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA  124  16.03 +/- 3.31   0.549% *  0.0630% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  20.77 +/- 3.84   0.225% *  0.1456% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  22.24 +/- 3.11   0.202% *  0.1505% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  22.96 +/- 5.87   0.229% *  0.1283% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  19.19 +/- 3.46   0.277% *  0.0950% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  25.71 +/- 7.15   0.190% *  0.1153% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  21.08 +/- 2.68   0.216% *  0.0817% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  24.04 +/- 4.29   0.141% *  0.1086% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  26.36 +/- 2.57   0.100% *  0.1456% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  25.99 +/- 8.57   0.288% *  0.0294% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  30.80 +/- 3.67   0.065% *  0.0467% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.971, support = 5.67, residual support = 25.5:
          HA    ALA  120 - HN    LEU  123   2.74 +/- 0.16  71.435% * 68.2236% (0.99   6.03  28.88) =  87.047%  kept
          HA    LYS+ 121 - HN    LEU  123   4.05 +/- 0.18  23.738% * 30.5258% (0.84   3.20   2.86) =  12.943%  kept
          QB    SER  117 - HN    LEU  123   8.82 +/- 0.54   2.196% *  0.1110% (0.49   0.02   0.02) =   0.004%
          HA2   GLY   16 - HN    LEU  123  21.11 +/- 6.00   0.499% *  0.1743% (0.76   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    LEU  123  22.32 +/- 4.37   0.342% *  0.1743% (0.76   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LEU  123  17.22 +/- 2.70   0.371% *  0.1567% (0.69   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  19.53 +/- 1.78   0.227% *  0.2046% (0.90   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LEU  123  22.35 +/- 4.03   0.207% *  0.2202% (0.97   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU  123  20.85 +/- 4.36   0.903% *  0.0352% (0.15   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LEU  123  27.55 +/- 2.50   0.082% *  0.1743% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.25, residual support = 37.2:
          HB3   HIS  122 - HN    LEU  123   3.51 +/- 0.39  77.758% * 79.2601% (0.99   5.44  39.15) =  94.739%  kept
          QE    LYS+ 121 - HN    LEU  123   6.56 +/- 0.80  16.696% * 20.4751% (0.76   1.82   2.86) =   5.255%  kept
          HG2   GLN   30 - HN    LEU  123  22.36 +/- 7.30   3.228% *  0.0818% (0.28   0.02   0.02) =   0.004%
          HB3   ASN   28 - HN    LEU  123  26.33 +/- 8.56   2.085% *  0.0398% (0.14   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HN    LEU  123  26.90 +/- 3.91   0.233% *  0.1432% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.8, residual support = 203.3:
          HG    LEU  123 - HN    LEU  123   3.31 +/- 0.43  67.590% * 95.6091% (0.76   5.81 203.91) =  99.712%  kept
          HG3   PRO   68 - HN    LEU  123  17.03 +/- 6.42   7.535% *  1.6053% (0.87   0.09   0.02) =   0.187%  kept
          HB3   PRO   52 - HN    LEU  123  19.34 +/- 4.63   8.846% *  0.3288% (0.76   0.02   0.02) =   0.045%
          HB3   ASP- 105 - HN    LEU  123  12.91 +/- 5.42   3.469% *  0.3288% (0.76   0.02   0.02) =   0.018%
          QB    LYS+  33 - HN    LEU  123  22.23 +/- 6.70   3.714% *  0.2784% (0.65   0.02   0.02) =   0.016%
          HG2   ARG+  54 - HN    LEU  123  19.25 +/- 4.51   1.279% *  0.3446% (0.80   0.02   0.02) =   0.007%
          HB    ILE  103 - HN    LEU  123  19.81 +/- 5.25   0.577% *  0.3594% (0.84   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU  123  15.21 +/- 3.12   1.071% *  0.1929% (0.45   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    LEU  123  13.66 +/- 4.26   2.221% *  0.0852% (0.20   0.02   0.02) =   0.003%
          HG12  ILE  103 - HN    LEU  123  19.46 +/- 5.08   0.585% *  0.2094% (0.49   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU  123  13.12 +/- 3.00   2.068% *  0.0582% (0.14   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    LEU  123  19.46 +/- 5.36   0.733% *  0.1468% (0.34   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    LEU  123  27.63 +/- 3.30   0.189% *  0.2094% (0.49   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU  123  28.76 +/- 2.20   0.124% *  0.2436% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.763, support = 6.19, residual support = 199.0:
      O   HB2   LEU  123 - HN    LEU  123   2.58 +/- 0.34  84.539% * 84.9749% (0.76  10.0   6.26 203.91) =  97.581%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.08 +/- 0.13  12.350% * 14.4023% (0.73   1.0   3.57   2.86) =   2.416%  kept
          QD    LYS+ 102 - HN    LEU  123  20.55 +/- 5.86   0.658% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    LEU  123  21.00 +/- 6.78   0.611% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    LEU  123  15.40 +/- 2.46   0.545% *  0.0850% (0.76   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LEU  123  20.06 +/- 3.42   0.302% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  18.54 +/- 1.24   0.262% *  0.0541% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  26.59 +/- 2.84   0.089% *  0.0929% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.67 +/- 2.66   0.188% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  21.01 +/- 4.26   0.259% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  20.87 +/- 3.33   0.197% *  0.0220% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.842, support = 6.63, residual support = 203.8:
          QD1   LEU  123 - HN    LEU  123   2.51 +/- 0.64  59.114% * 84.7457% (0.90   6.64 203.91) =  92.599%  kept
          QD2   LEU  123 - HN    LEU  123   3.77 +/- 0.80  27.784% * 14.3164% (0.15   6.52 203.91) =   7.352%  kept
          QG1   VAL   70 - HN    LEU  123  13.12 +/- 4.70   7.061% *  0.1955% (0.69   0.02   0.02) =   0.026%
          QD1   LEU   71 - HN    LEU  123  15.96 +/- 5.49   2.445% *  0.2552% (0.90   0.02   0.02) =   0.012%
          HB3   LEU  104 - HN    LEU  123  14.56 +/- 6.37   1.634% *  0.2821% (0.99   0.02   0.02) =   0.009%
          QG1   VAL   18 - HN    LEU  123  15.42 +/- 4.24   0.757% *  0.1611% (0.57   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU  123  12.91 +/- 3.59   1.206% *  0.0439% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 39.1:
          HB2   HIS  122 - HN    LEU  123   4.14 +/- 0.39  96.053% * 99.3381% (1.00   5.38  39.15) =  99.986%  kept
          HA    LYS+ 112 - HN    LEU  123  14.42 +/- 1.30   2.711% *  0.3310% (0.90   0.02   0.02) =   0.009%
          HB    THR   46 - HN    LEU  123  20.03 +/- 3.14   1.237% *  0.3310% (0.90   0.02   0.02) =   0.004%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.243, support = 7.2, residual support = 37.9:
      O   HA    LYS+ 121 - HN    HIS  122   3.51 +/- 0.04  48.179% * 65.7767% (0.20  10.0   7.70  54.49) =  68.391%  kept
          HA    ALA  120 - HN    HIS  122   3.64 +/- 0.21  43.632% * 33.5594% (0.33   1.0   6.11   1.89) =  31.600%  kept
          QB    SER  117 - HN    HIS  122   8.08 +/- 0.44   4.077% *  0.0290% (0.09   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    HIS  122  16.05 +/- 2.29   0.646% *  0.1072% (0.33   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    HIS  122  20.51 +/- 5.50   0.562% *  0.1121% (0.34   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    HIS  122  19.79 +/- 4.01   1.001% *  0.0396% (0.12   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  17.83 +/- 2.01   0.416% *  0.0752% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    HIS  122  21.23 +/- 3.64   0.330% *  0.0888% (0.27   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    HIS  122  21.36 +/- 4.05   0.481% *  0.0566% (0.17   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    HIS  122  26.04 +/- 2.62   0.134% *  0.1121% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  24.29 +/- 6.97   0.417% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  26.75 +/- 2.92   0.125% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.263, support = 6.52, residual support = 17.3:
          HA    ILE  119 - HN    HIS  122   3.43 +/- 0.17  76.935% * 61.5062% (0.27   6.71  19.28) =  87.101%  kept
          HA    THR  118 - HN    HIS  122   5.65 +/- 0.33  18.458% * 37.9454% (0.21   5.22   4.16) =  12.892%  kept
          HD3   PRO   58 - HN    HIS  122  12.02 +/- 2.62   2.778% *  0.0667% (0.10   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    HIS  122  23.02 +/- 4.69   0.448% *  0.1648% (0.24   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    HIS  122  17.14 +/- 2.25   0.728% *  0.0740% (0.11   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    HIS  122  20.60 +/- 2.48   0.426% *  0.1262% (0.19   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  24.81 +/- 2.24   0.228% *  0.1168% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.98, residual support = 76.0:
      O   HB2   HIS  122 - HN    HIS  122   3.49 +/- 0.38  91.255% * 99.5910% (0.11  10.0   5.98  75.97) =  99.990%  kept
          HA    LYS+ 112 - HN    HIS  122  13.46 +/- 0.95   1.818% *  0.1827% (0.20   1.0   0.02   0.02) =   0.004%
          HB2   HIS   22 - HN    HIS  122  23.92 +/- 6.88   1.829% *  0.1698% (0.19   1.0   0.02   0.02) =   0.003%
          HA    LEU   63 - HN    HIS  122  11.57 +/- 3.14   5.099% *  0.0565% (0.06   1.0   0.02   0.02) =   0.003%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.321, support = 6.54, residual support = 75.0:
      O   HB3   HIS  122 - HN    HIS  122   2.72 +/- 0.41  79.373% * 82.7204% (0.33  10.0   6.55  75.97) =  95.540%  kept
          QE    LYS+ 121 - HN    HIS  122   5.48 +/- 0.76  17.811% * 17.2059% (0.21   1.0   6.33  54.49) =   4.459%  kept
          HG2   GLN   30 - HN    HIS  122  21.14 +/- 6.78   2.678% *  0.0157% (0.06   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HN    HIS  122  25.41 +/- 3.37   0.138% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.31, support = 7.4, residual support = 52.2:
          HB2   LYS+ 121 - HN    HIS  122   3.32 +/- 0.17  63.514% * 71.9085% (0.33   7.71  54.49) =  85.290%  kept
          HB2   LEU  123 - HN    HIS  122   4.39 +/- 0.35  29.109% * 27.0333% (0.17   5.63  39.15) =  14.695%  kept
          QD    LYS+  38 - HN    HIS  122  20.09 +/- 6.31   1.141% *  0.1955% (0.35   0.02   0.02) =   0.004%
          QD    LYS+  65 - HN    HIS  122  14.52 +/- 2.22   1.009% *  0.1904% (0.34   0.02   0.02) =   0.004%
          QD    LYS+ 102 - HN    HIS  122  19.26 +/- 5.92   0.892% *  0.1432% (0.26   0.02   0.02) =   0.002%
          QB    ALA   57 - HN    HIS  122  12.40 +/- 2.40   1.948% *  0.0345% (0.06   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    HIS  122  18.68 +/- 2.98   0.608% *  0.1038% (0.19   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  24.89 +/- 2.88   0.179% *  0.1955% (0.35   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    HIS  122  19.39 +/- 3.11   0.410% *  0.0811% (0.15   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    HIS  122  17.69 +/- 0.97   0.434% *  0.0492% (0.09   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  20.23 +/- 2.25   0.362% *  0.0345% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  18.32 +/- 1.05   0.395% *  0.0304% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (1.52, 7.24, 114.00 ppm):
    9 chemical-shift based assignments, quality = 0.294, support = 6.59, residual support = 54.5:
          HB3   LYS+ 121 - HN    HIS  122   3.92 +/- 0.37  45.471% * 67.1598% (0.35   6.38  54.49) =  73.839%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.55 +/- 0.69  33.872% * 31.8739% (0.15   7.22  54.49) =  26.105%  kept
          QD    LYS+  66 - HN    HIS  122  13.77 +/- 4.81   5.050% *  0.1720% (0.28   0.02   0.02) =   0.021%
          QG2   THR   26 - HN    HIS  122  19.38 +/- 5.88   9.358% *  0.0597% (0.10   0.02   0.02) =   0.014%
          HG    LEU  104 - HN    HIS  122  14.92 +/- 6.52   2.454% *  0.2106% (0.35   0.02   0.02) =   0.012%
          HB3   LYS+ 111 - HN    HIS  122  15.89 +/- 1.08   0.677% *  0.1983% (0.33   0.02   0.02) =   0.003%
          HG2   LYS+  33 - HN    HIS  122  22.49 +/- 6.81   1.887% *  0.0597% (0.10   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    HIS  122  19.74 +/- 3.39   0.448% *  0.1927% (0.32   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    HIS  122  15.63 +/- 1.82   0.783% *  0.0733% (0.12   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.22, residual support = 39.1:
          QD1   LEU  123 - HN    HIS  122   3.20 +/- 0.86  59.362% * 98.4686% (0.31   6.23  39.15) =  99.787%  kept
          QG1   VAL   70 - HN    HIS  122  12.00 +/- 4.44  17.134% *  0.3610% (0.35   0.02   0.02) =   0.106%  kept
          QD1   LEU   71 - HN    HIS  122  14.92 +/- 5.23  11.237% *  0.3159% (0.31   0.02   0.02) =   0.061%
          HB3   LEU  104 - HN    HIS  122  13.09 +/- 6.51   6.492% *  0.1916% (0.19   0.02   0.02) =   0.021%
          HB3   LEU   63 - HN    HIS  122  11.55 +/- 3.55   3.177% *  0.2356% (0.23   0.02   0.02) =   0.013%
          QG1   VAL   18 - HN    HIS  122  14.77 +/- 3.78   1.875% *  0.3634% (0.35   0.02   0.02) =   0.012%
          QG1   VAL  108 - HN    HIS  122  15.30 +/- 2.06   0.723% *  0.0638% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.558, support = 3.58, residual support = 7.37:
          HA    ILE  119 - HN    LYS+ 121   3.86 +/- 0.14  41.111% * 63.6214% (0.61   4.11   8.24) =  57.214%  kept
          HA    THR  118 - HN    LYS+ 121   3.47 +/- 0.30  55.159% * 35.4513% (0.49   2.88   6.20) =  42.775%  kept
          HD3   PRO   58 - HN    LYS+ 121  12.20 +/- 2.35   2.031% *  0.1128% (0.22   0.02   0.02) =   0.005%
          HA2   GLY  109 - HN    LYS+ 121  15.36 +/- 2.41   0.915% *  0.1252% (0.25   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    LYS+ 121  22.88 +/- 4.30   0.337% *  0.2786% (0.55   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    LYS+ 121  20.77 +/- 2.12   0.276% *  0.2134% (0.42   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    LYS+ 121  24.28 +/- 1.98   0.171% *  0.1974% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.755, support = 6.91, residual support = 311.1:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.51 +/- 0.40  84.162% * 92.8672% (0.76  10.0   6.94 313.78) =  99.138%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.38 +/- 0.75  10.245% *  6.6061% (0.39   1.0   2.76   2.86) =   0.858%  kept
          QD    LYS+  65 - HN    LYS+ 121  15.24 +/- 2.15   0.803% *  0.0947% (0.77   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+ 121  18.73 +/- 5.59   0.983% *  0.0713% (0.58   1.0   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    LYS+ 121  12.71 +/- 2.26   1.580% *  0.0172% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  18.01 +/- 2.49   0.509% *  0.0517% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  20.87 +/- 5.45   0.260% *  0.0973% (0.79   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  24.61 +/- 2.56   0.120% *  0.0973% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  15.94 +/- 1.20   0.409% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  19.85 +/- 3.00   0.232% *  0.0404% (0.33   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  16.58 +/- 1.40   0.381% *  0.0151% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.31 +/- 1.84   0.317% *  0.0172% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.54, support = 5.43, residual support = 238.4:
          HD2   LYS+ 121 - HN    LYS+ 121   3.61 +/- 0.89  36.459% * 81.9650% (0.64   6.03 313.78) =  75.764%  kept
          QB    ALA  120 - HN    LYS+ 121   2.81 +/- 0.10  57.206% * 16.6898% (0.22   3.54   2.71) =  24.206%  kept
          QG2   THR   26 - HN    LYS+ 121  19.92 +/- 5.71   1.333% *  0.3132% (0.74   0.02   0.02) =   0.011%
          QD    LYS+  66 - HN    LYS+ 121  14.68 +/- 4.59   1.612% *  0.1395% (0.33   0.02   0.02) =   0.006%
          HB3   LEU   40 - HN    LYS+ 121  16.38 +/- 5.24   1.206% *  0.1652% (0.39   0.02   0.02) =   0.005%
          HG    LEU  115 - HN    LYS+ 121   9.64 +/- 0.97   1.591% *  0.0943% (0.22   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HN    LYS+ 121  16.51 +/- 1.84   0.356% *  0.2943% (0.70   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HN    LYS+ 121  20.10 +/- 3.52   0.237% *  0.3386% (0.80   0.02   0.02) =   0.002%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.79, residual support = 309.2:
          HG2   LYS+ 121 - HN    LYS+ 121   4.14 +/- 0.37  64.777% * 94.6235% (0.77   5.86 313.78) =  98.491%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.33 +/- 0.45  19.713% *  4.5536% (0.16   1.38   8.24) =   1.442%  kept
          QG2   VAL  107 - HN    LYS+ 121   9.25 +/- 1.90   8.431% *  0.3316% (0.79   0.02   0.02) =   0.045%
          QB    ALA   20 - HN    LYS+ 121  17.93 +/- 5.25   4.625% *  0.2164% (0.52   0.02   0.02) =   0.016%
          HG13  ILE  103 - HN    LYS+ 121  17.20 +/- 4.68   1.466% *  0.2164% (0.52   0.02   0.02) =   0.005%
          HB3   LEU   31 - HN    LYS+ 121  21.76 +/- 5.82   0.989% *  0.0586% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.14 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 2.09, residual support = 2.85:
          QD1   LEU  123 - HN    LYS+ 121   4.62 +/- 0.55  46.045% * 87.5646% (0.72   2.14   2.86) =  94.184%  kept
          QD2   LEU  123 - HN    LYS+ 121   5.99 +/- 0.85  24.294% *  9.4291% (0.12   1.34   2.86) =   5.351%  kept
          QD1   LEU   71 - HN    LYS+ 121  15.77 +/- 4.85   8.521% *  0.8181% (0.72   0.02   0.02) =   0.163%  kept
          HB3   LEU  104 - HN    LYS+ 121  12.68 +/- 5.98   6.983% *  0.9042% (0.79   0.02   0.02) =   0.147%  kept
          QG1   VAL   70 - HN    LYS+ 121  12.79 +/- 3.80   6.847% *  0.6266% (0.55   0.02   0.02) =   0.100%  kept
          QG1   VAL   18 - HN    LYS+ 121  15.38 +/- 4.25   3.493% *  0.5165% (0.45   0.02   0.02) =   0.042%
          HB3   LEU   63 - HN    LYS+ 121  12.26 +/- 3.21   3.817% *  0.1408% (0.12   0.02   0.02) =   0.013%
    Distance limit 4.20 A violated in 0 structures by 0.15 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.14, residual support = 52.3:
          HB    ILE  119 - HN    ALA  120   2.99 +/- 0.26  88.510% * 97.5296% (0.90   5.14  52.29) =  99.971%  kept
          HB3   PRO   68 - HN    ALA  120  18.30 +/- 4.61   2.757% *  0.2346% (0.56   0.02   0.02) =   0.007%
          HG3   GLN   30 - HN    ALA  120  21.99 +/- 5.52   0.887% *  0.3660% (0.87   0.02   0.02) =   0.004%
          HB    VAL  108 - HN    ALA  120  15.11 +/- 2.33   0.987% *  0.3231% (0.77   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    ALA  120  21.87 +/- 5.59   0.790% *  0.3792% (0.90   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    ALA  120  17.10 +/- 3.02   0.834% *  0.2957% (0.71   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    ALA  120  21.19 +/- 5.80   2.455% *  0.0965% (0.23   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    ALA  120  12.76 +/- 1.17   1.303% *  0.1194% (0.28   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    ALA  120  16.42 +/- 2.53   0.765% *  0.1734% (0.41   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ALA  120  23.34 +/- 4.76   0.328% *  0.3860% (0.92   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ALA  120  21.59 +/- 4.66   0.386% *  0.0965% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.0, residual support = 13.3:
      O   QB    ALA  120 - HN    ALA  120   2.04 +/- 0.09  89.746% * 83.5704% (0.49  10.0   4.00  13.48) =  98.718%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.89 +/- 1.13   6.138% * 15.8166% (0.49   1.0   3.79   2.71) =   1.278%  kept
          HG    LEU  115 - HN    ALA  120   8.07 +/- 1.03   1.728% *  0.0836% (0.49   1.0   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    ALA  120  20.14 +/- 5.58   0.598% *  0.1091% (0.63   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ALA  120  17.48 +/- 4.46   0.281% *  0.1214% (0.71   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  14.42 +/- 4.31   0.892% *  0.0314% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  16.01 +/- 1.74   0.210% *  0.0963% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.98 +/- 3.56   0.134% *  0.1466% (0.85   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  17.41 +/- 4.38   0.273% *  0.0245% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.489, support = 5.69, residual support = 51.7:
          QG2   ILE  119 - HN    ALA  120   3.16 +/- 0.62  85.195% * 87.0567% (0.49   5.74  52.29) =  98.885%  kept
          QD2   LEU   71 - HN    ALA  120  16.20 +/- 4.88   7.712% * 10.4369% (0.77   0.43   0.02) =   1.073%  kept
          QD2   LEU   40 - HN    ALA  120  13.37 +/- 3.75   1.921% *  0.4402% (0.71   0.02   0.02) =   0.011%
          QD1   LEU   67 - HN    ALA  120  14.21 +/- 3.52   1.820% *  0.4613% (0.74   0.02   0.02) =   0.011%
          QG2   ILE  103 - HN    ALA  120  13.57 +/- 3.22   1.445% *  0.5166% (0.83   0.02   0.02) =   0.010%
          HG3   LYS+  74 - HN    ALA  120  20.05 +/- 3.81   0.621% *  0.5559% (0.89   0.02   0.02) =   0.005%
          QD1   ILE  103 - HN    ALA  120  16.05 +/- 2.64   0.753% *  0.4183% (0.67   0.02   0.02) =   0.004%
          HB    VAL   75 - HN    ALA  120  18.62 +/- 2.22   0.532% *  0.1140% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.252, support = 2.78, residual support = 15.3:
      O   QB    SER  117 - HN    SER  117   2.26 +/- 0.22  93.403% * 88.2595% (0.25  10.0   2.79  15.38) =  99.640%  kept
          HA    ALA  120 - HN    SER  117   7.50 +/- 0.66   3.024% *  9.6057% (0.95   1.0   0.57   5.21) =   0.351%  kept
          HA    LYS+ 121 - HN    SER  117   9.44 +/- 0.52   1.472% *  0.2004% (0.57   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    SER  117  13.89 +/- 1.08   0.462% *  0.2290% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER  117  16.95 +/- 1.48   0.255% *  0.3267% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    SER  117  18.30 +/- 2.63   0.296% *  0.2705% (0.76   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    SER  117  15.90 +/- 2.00   0.405% *  0.1207% (0.34   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    SER  117  23.37 +/- 2.49   0.128% *  0.3416% (0.97   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER  117  17.74 +/- 1.70   0.246% *  0.1723% (0.49   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER  117  24.47 +/- 5.02   0.119% *  0.3416% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  23.11 +/- 2.67   0.115% *  0.0620% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.22 +/- 3.45   0.075% *  0.0700% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.385, support = 5.5, residual support = 28.5:
          HG3   GLN  116 - HN    SER  117   4.91 +/- 0.55  40.721% * 69.1390% (0.49   5.38  28.55) =  64.811%  kept
          HG2   GLN  116 - HN    SER  117   4.53 +/- 1.07  51.058% * 29.9125% (0.20   5.72  28.55) =  35.158%  kept
          HB3   PHE   95 - HN    SER  117   9.81 +/- 1.56   7.134% *  0.1317% (0.25   0.02   0.02) =   0.022%
          HB3   TRP   87 - HN    SER  117  19.91 +/- 2.03   0.751% *  0.2990% (0.57   0.02   0.02) =   0.005%
          HG2   GLU-  25 - HN    SER  117  29.19 +/- 6.06   0.335% *  0.5177% (0.98   0.02   0.02) =   0.004%
    Distance limit 4.19 A violated in 0 structures by 0.24 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.9, residual support = 28.5:
          HB2   GLN  116 - HN    SER  117   3.57 +/- 0.26  90.109% * 98.7756% (0.97   4.90  28.55) =  99.963%  kept
          HB2   PRO   58 - HN    SER  117  10.48 +/- 2.12   6.040% *  0.3033% (0.73   0.02   0.02) =   0.021%
          HB3   PHE   97 - HN    SER  117  13.20 +/- 2.60   2.935% *  0.4177% (1.00   0.02   0.02) =   0.014%
          HB2   GLU- 100 - HN    SER  117  23.93 +/- 3.16   0.374% *  0.3746% (0.90   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    SER  117  22.68 +/- 2.75   0.542% *  0.1289% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.27 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 7.11, residual support = 118.1:
          HG2   GLN  116 - HN    GLN  116   3.65 +/- 0.53  89.803% * 92.8342% (0.73   7.16 119.05) =  99.193%  kept
          HB3   PHE   95 - HN    GLN  116   9.04 +/- 1.85   9.805% *  6.9066% (0.80   0.48   0.75) =   0.806%  kept
          HG2   GLU-  25 - HN    GLN  116  28.59 +/- 5.44   0.391% *  0.2592% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.18 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.36, residual support = 119.0:
      O   HB2   GLN  116 - HN    GLN  116   2.15 +/- 0.09  96.542% * 99.6757% (0.98  10.0   7.37 119.05) =  99.998%  kept
          HB2   PRO   58 - HN    GLN  116   9.27 +/- 1.94   2.568% *  0.0456% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLN  116  13.62 +/- 2.52   0.612% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    GLN  116  24.44 +/- 3.00   0.077% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  21.44 +/- 2.95   0.134% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  25.85 +/- 3.04   0.067% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.781, support = 7.06, residual support = 82.0:
          HB2   LEU  115 - HN    GLN  116   3.47 +/- 0.37  59.401% * 64.4529% (0.80   7.55  98.90) =  82.561%  kept
          QB    GLU- 114 - HN    GLN  116   4.95 +/- 0.33  23.249% * 34.7081% (0.69   4.74   1.78) =  17.401%  kept
          HG3   PRO   58 - HN    GLN  116   9.25 +/- 1.84   5.970% *  0.1781% (0.84   0.02   0.02) =   0.023%
          HB2   LYS+ 111 - HN    GLN  116   7.29 +/- 0.98   7.448% *  0.0329% (0.15   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    GLN  116  17.99 +/- 3.82   1.275% *  0.1781% (0.84   0.02   0.02) =   0.005%
          HB    ILE   19 - HN    GLN  116  21.03 +/- 3.59   0.382% *  0.1629% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  17.45 +/- 2.81   0.679% *  0.0877% (0.41   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLN  116  19.59 +/- 4.35   0.621% *  0.0422% (0.20   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN  116  27.29 +/- 5.91   0.268% *  0.0727% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  22.31 +/- 3.74   0.433% *  0.0422% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  23.27 +/- 3.31   0.273% *  0.0422% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.10 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.847, support = 8.47, residual support = 97.7:
          HG    LEU  115 - HN    GLN  116   3.23 +/- 1.09  52.945% * 39.0908% (0.73   8.53  98.90) =  51.118%  kept
          HB3   LEU  115 - HN    GLN  116   3.78 +/- 0.64  36.407% * 53.0167% (0.98   8.57  98.90) =  47.673%  kept
          QB    ALA  120 - HN    GLN  116   6.85 +/- 0.78   6.621% *  7.3476% (0.73   1.60   0.18) =   1.202%  kept
          HG    LEU   73 - HN    GLN  116  17.72 +/- 5.86   1.438% *  0.0714% (0.57   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    GLN  116  17.54 +/- 3.06   0.402% *  0.1262% (1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    GLN  116  17.14 +/- 2.99   0.383% *  0.1237% (0.98   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLN  116  13.75 +/- 2.76   0.970% *  0.0474% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    GLN  116  18.96 +/- 2.79   0.274% *  0.0614% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  23.59 +/- 2.79   0.179% *  0.0867% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  17.53 +/- 3.34   0.381% *  0.0281% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 98.9:
          QD1   LEU  115 - HN    GLN  116   4.07 +/- 0.63  96.625% * 99.6391% (0.49   7.79  98.90) =  99.987%  kept
          QG1   VAL   75 - HN    GLN  116  13.83 +/- 1.96   3.375% *  0.3609% (0.69   0.02   0.02) =   0.013%
    Distance limit 4.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.569, support = 10.0, residual support = 97.8:
          QD2   LEU  115 - HN    GLN  116   2.74 +/- 0.91  71.292% * 93.0330% (0.57  10.15  98.90) =  98.922%  kept
          QD1   LEU   63 - HN    GLN  116   9.25 +/- 2.58  11.478% *  5.9456% (0.90   0.41   0.02) =   1.018%  kept
          QD2   LEU   63 - HN    GLN  116  10.19 +/- 2.58  11.094% *  0.2706% (0.84   0.02   0.02) =   0.045%
          QD1   LEU   73 - HN    GLN  116  15.44 +/- 4.70   2.272% *  0.2905% (0.90   0.02   0.02) =   0.010%
          QD2   LEU   80 - HN    GLN  116  19.34 +/- 2.54   0.709% *  0.1704% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    GLN  116  14.25 +/- 2.43   0.982% *  0.1000% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    GLN  116  16.57 +/- 2.20   0.670% *  0.0901% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  16.12 +/- 2.24   0.755% *  0.0500% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    GLN  116  19.11 +/- 2.78   0.749% *  0.0500% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.714, support = 2.01, residual support = 15.0:
          QD1   ILE  119 - HN    GLN  116   5.07 +/- 0.82  55.165% * 92.2709% (0.73   2.08  15.60) =  96.290%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.39 +/- 1.17  34.438% *  5.3285% (0.38   0.23   0.02) =   3.471%  kept
          QG2   VAL  108 - HN    GLN  116  10.28 +/- 1.36   7.944% *  1.2216% (1.00   0.02   0.02) =   0.184%  kept
          HB2   LEU  104 - HN    GLN  116  15.47 +/- 2.67   2.452% *  1.1790% (0.97   0.02   0.02) =   0.055%
    Distance limit 4.88 A violated in 0 structures by 0.14 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 0.996, residual support = 2.48:
          HA    LYS+ 112 - HN    LEU  115   3.31 +/- 0.30  95.194% * 95.9313% (0.90   1.00   2.48) =  99.895%  kept
          HB    THR   46 - HN    LEU  115  12.52 +/- 2.75   3.347% *  1.9237% (0.90   0.02   0.02) =   0.070%
          HB2   HIS  122 - HN    LEU  115  13.66 +/- 0.78   1.460% *  2.1450% (1.00   0.02   0.02) =   0.034%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.28, support = 4.61, residual support = 89.0:
          HB2   GLN  116 - HN    LEU  115   4.60 +/- 0.22  66.147% * 68.2592% (0.22   5.06  98.90) =  89.993%  kept
          HB2   PRO   58 - HN    LEU  115  10.55 +/- 2.44  16.666% * 29.6253% (0.80   0.61   0.02) =   9.841%  kept
          HG2   PRO   52 - HN    LEU  115  12.15 +/- 2.70  10.910% *  0.5435% (0.45   0.02   0.02) =   0.118%  kept
          HB3   PHE   97 - HN    LEU  115  13.04 +/- 2.33   4.258% *  0.4135% (0.34   0.02   0.02) =   0.035%
          HG3   GLU-  25 - HN    LEU  115  28.84 +/- 5.01   0.446% *  0.7843% (0.65   0.02   0.02) =   0.007%
          HB2   GLU-  79 - HN    LEU  115  21.30 +/- 3.12   1.068% *  0.1871% (0.15   0.02   0.02) =   0.004%
          HB2   GLU- 100 - HN    LEU  115  24.10 +/- 2.44   0.506% *  0.1871% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 0 structures by 0.25 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.788, support = 7.14, residual support = 200.4:
      O   HB2   LEU  115 - HN    LEU  115   2.25 +/- 0.35  59.676% * 79.5411% (0.80  10.0   7.34 223.00) =  88.800%  kept
          QB    GLU- 114 - HN    LEU  115   3.04 +/- 0.44  31.085% * 19.1936% (0.69   1.0   5.63  20.96) =  11.162%  kept
          HG3   PRO   58 - HN    LEU  115  10.48 +/- 2.11   1.991% *  0.9574% (0.84   1.0   0.23   0.02) =   0.036%
          HB2   LYS+ 111 - HN    LEU  115   5.40 +/- 1.22   6.471% *  0.0153% (0.15   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    LEU  115  18.68 +/- 3.22   0.192% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.32 +/- 3.25   0.088% *  0.0759% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  17.79 +/- 2.22   0.147% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  20.18 +/- 4.56   0.143% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  27.03 +/- 5.14   0.055% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  22.95 +/- 3.61   0.083% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  23.83 +/- 3.42   0.070% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.933, support = 7.51, residual support = 223.0:
      O   HB3   LEU  115 - HN    LEU  115   3.21 +/- 0.35  50.428% * 78.0525% (0.98  10.0   7.52 223.00) =  81.558%  kept
          HG    LEU  115 - HN    LEU  115   3.54 +/- 0.80  41.288% * 21.5458% (0.73   1.0   7.45 223.00) =  18.433%  kept
          QB    ALA  120 - HN    LEU  115   8.38 +/- 0.66   2.782% *  0.0578% (0.73   1.0   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LEU  115  17.32 +/- 5.71   2.985% *  0.0451% (0.57   1.0   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    LEU  115  17.12 +/- 2.60   0.432% *  0.0781% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU  115  17.87 +/- 2.69   0.365% *  0.0796% (1.00   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU  115  14.46 +/- 2.81   0.914% *  0.0299% (0.38   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LEU  115  19.02 +/- 2.39   0.290% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.80 +/- 2.41   0.156% *  0.0547% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.86 +/- 2.85   0.359% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.52, support = 1.56, residual support = 6.35:
          QG2   VAL  107 - HN    LEU  115   4.49 +/- 1.75  48.424% * 47.8623% (0.53   1.73   6.33) =  74.323%  kept
          HG13  ILE  119 - HN    LEU  115   7.79 +/- 1.48  11.949% * 40.6651% (0.73   1.07   8.96) =  15.582%  kept
          HD3   LYS+ 112 - HN    LEU  115   5.51 +/- 1.15  35.692% *  8.7421% (0.15   1.08   2.48) =  10.006%  kept
          HG2   LYS+ 121 - HN    LEU  115  12.88 +/- 1.41   1.841% *  0.8016% (0.76   0.02   0.02) =   0.047%
          QB    ALA   20 - HN    LEU  115  17.36 +/- 3.87   0.896% *  1.0466% (1.00   0.02   0.02) =   0.030%
          HB3   LEU   31 - HN    LEU  115  22.89 +/- 2.40   0.327% *  0.7205% (0.69   0.02   0.02) =   0.008%
          HG13  ILE  103 - HN    LEU  115  16.58 +/- 1.82   0.871% *  0.1618% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.87 A violated in 0 structures by 0.25 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 8.85, residual support = 222.7:
          QD2   LEU  115 - HN    LEU  115   3.26 +/- 0.86  82.563% * 97.4593% (0.65   8.86 223.00) =  99.848%  kept
          QD1   LEU   63 - HN    LEU  115   9.61 +/- 2.56   7.216% *  1.4598% (0.31   0.28   0.02) =   0.131%  kept
          QD1   LEU   73 - HN    LEU  115  15.04 +/- 4.61   4.687% *  0.1049% (0.31   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    LEU  115  14.12 +/- 2.12   1.402% *  0.3049% (0.90   0.02   0.02) =   0.005%
          QG1   VAL   83 - HN    LEU  115  17.03 +/- 1.84   0.954% *  0.3216% (0.95   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    LEU  115  18.39 +/- 2.59   1.198% *  0.2335% (0.69   0.02   0.02) =   0.003%
          QG2   ILE   89 - HN    LEU  115  13.22 +/- 1.31   1.980% *  0.1160% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.4, residual support = 223.0:
          QD1   LEU  115 - HN    LEU  115   3.80 +/- 0.48  96.939% * 99.6816% (0.80   7.40 223.00) =  99.990%  kept
          QG1   VAL   75 - HN    LEU  115  12.94 +/- 1.73   3.061% *  0.3184% (0.95   0.02   0.02) =   0.010%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (1.84, 8.62, 122.05 ppm):
    14 chemical-shift based assignments, quality = 0.573, support = 6.76, residual support = 139.0:
      O   HB    ILE  103 - HN    ILE  103   2.23 +/- 0.16  67.899% * 65.0681% (0.53  10.0   6.73 138.98) =  82.912%  kept
          HG12  ILE  103 - HN    ILE  103   3.41 +/- 0.55  26.607% * 34.2122% (0.80   1.0   6.91 138.98) =  17.083%  kept
          HB    VAL   41 - HN    ILE  103   9.47 +/- 1.89   1.299% *  0.0800% (0.65   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ILE  103   8.96 +/- 0.43   1.064% *  0.0554% (0.45   1.0   0.02   3.24) =   0.001%
          QB    LYS+ 106 - HN    ILE  103   7.75 +/- 1.04   1.702% *  0.0245% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    ILE  103  24.99 +/- 4.49   0.165% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.65 +/- 2.95   0.313% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  22.17 +/- 4.43   0.092% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  19.57 +/- 3.39   0.143% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  19.84 +/- 2.82   0.306% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  18.54 +/- 2.82   0.143% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  26.60 +/- 3.59   0.067% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  19.93 +/- 3.08   0.112% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  21.33 +/- 2.68   0.087% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.22, residual support = 138.9:
          HG13  ILE  103 - HN    ILE  103   3.64 +/- 0.64  86.156% * 98.5435% (0.65   6.23 138.98) =  99.955%  kept
          QG2   VAL  107 - HN    ILE  103  12.09 +/- 1.16   3.294% *  0.4851% (0.99   0.02   0.02) =   0.019%
          HG2   LYS+ 121 - HN    ILE  103  17.31 +/- 7.50   2.567% *  0.4723% (0.97   0.02   0.02) =   0.014%
          HB3   LEU   31 - HN    ILE  103  13.03 +/- 4.15   5.948% *  0.0857% (0.18   0.02   0.02) =   0.006%
          QB    ALA   20 - HN    ILE  103  18.06 +/- 3.15   1.235% *  0.3166% (0.65   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    ILE  103  19.58 +/- 3.18   0.800% *  0.0968% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.786, support = 6.17, residual support = 138.9:
          QG2   ILE  103 - HN    ILE  103   3.59 +/- 0.10  36.092% * 71.1987% (1.00   6.49 138.98) =  61.271%  kept
          QD1   ILE  103 - HN    ILE  103   2.92 +/- 0.81  58.214% * 27.8842% (0.45   5.67 138.98) =  38.704%  kept
          QD2   LEU   40 - HN    ILE  103   8.32 +/- 0.93   3.030% *  0.2117% (0.97   0.02   0.02) =   0.015%
          QD1   LEU   67 - HN    ILE  103  13.91 +/- 2.57   1.037% *  0.2150% (0.98   0.02   0.02) =   0.005%
          QD2   LEU   71 - HN    ILE  103  14.50 +/- 1.63   0.539% *  0.1242% (0.57   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    ILE  103  20.26 +/- 2.58   0.220% *  0.2150% (0.98   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    ILE  103  15.73 +/- 1.81   0.491% *  0.0902% (0.41   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  17.38 +/- 3.32   0.376% *  0.0610% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.46, support = 7.14, residual support = 205.5:
          HG    LEU  104 - HN    LEU  104   2.68 +/- 0.62  81.249% * 76.0835% (0.45   7.43 216.03) =  95.137%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.25 +/- 0.93  14.069% * 22.3750% (0.69   1.43   0.11) =   4.845%  kept
          HB3   LYS+ 121 - HN    LEU  104  12.75 +/- 6.39   2.990% *  0.2047% (0.45   0.02   0.02) =   0.009%
          HG2   LYS+  33 - HN    LEU  104  16.27 +/- 3.43   0.602% *  0.4525% (0.99   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HN    LEU  104  18.21 +/- 2.89   0.416% *  0.2585% (0.57   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    LEU  104  18.79 +/- 2.03   0.387% *  0.2769% (0.61   0.02   0.02) =   0.002%
          QG    LYS+  81 - HN    LEU  104  20.44 +/- 2.40   0.287% *  0.3489% (0.76   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.266, support = 7.09, residual support = 150.5:
      O   HB2   LEU  104 - HN    LEU  104   2.75 +/- 0.36  42.409% * 65.9451% (0.22  10.0   7.38 216.03) =  63.197%  kept
          QG2   ILE  103 - HN    LEU  104   2.55 +/- 0.51  48.921% * 33.2663% (0.34   1.0   6.58  37.87) =  36.775%  kept
          QD2   LEU   40 - HN    LEU  104   6.03 +/- 1.22   6.057% *  0.1442% (0.49   1.0   0.02   0.02) =   0.020%
          QD1   LEU   67 - HN    LEU  104  11.55 +/- 2.97   1.619% *  0.1328% (0.45   1.0   0.02   0.02) =   0.005%
          HB    VAL   75 - HN    LEU  104  14.12 +/- 1.75   0.296% *  0.2936% (0.99   1.0   0.02   0.02) =   0.002%
          QD1   ILE  119 - HN    LEU  104  13.13 +/- 2.98   0.495% *  0.1442% (0.49   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    LEU  104  18.24 +/- 2.38   0.204% *  0.0739% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.777, support = 7.23, residual support = 172.8:
          QD2   LEU  104 - HN    LEU  104   3.13 +/- 0.81  65.471% * 64.5741% (0.80   7.83 216.03) =  79.002%  kept
          QD1   LEU   98 - HN    LEU  104   4.33 +/- 0.77  31.932% * 35.1833% (0.69   4.97  10.11) =  20.994%  kept
          QD1   ILE   19 - HN    LEU  104  15.08 +/- 2.59   0.720% *  0.1332% (0.65   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    LEU  104  14.49 +/- 1.96   1.058% *  0.0636% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU  104  15.68 +/- 3.52   0.819% *  0.0458% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.672, support = 7.66, residual support = 59.3:
          HB2   PHE   97 - HN    ASP- 105   2.21 +/- 0.50  81.421% * 72.7081% (0.69   7.77  60.75) =  96.390%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.91 +/- 1.04  11.237% * 18.1964% (0.25   5.35  21.95) =   3.329%  kept
          QE    LYS+  99 - HN    ASP- 105   8.80 +/- 0.75   1.861% *  6.1027% (0.90   0.50   0.34) =   0.185%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.35 +/- 1.18   1.907% *  1.9060% (0.41   0.34   0.02) =   0.059%
          HB3   TRP   27 - HN    ASP- 105  15.97 +/- 4.00   2.439% *  0.8735% (0.73   0.09   0.02) =   0.035%
          QE    LYS+  38 - HN    ASP- 105  15.16 +/- 1.86   0.375% *  0.1764% (0.65   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    ASP- 105  14.43 +/- 2.81   0.759% *  0.0369% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.62, residual support = 60.7:
          HB3   PHE   97 - HN    ASP- 105   2.66 +/- 0.67  95.207% * 98.7191% (0.90   5.62  60.75) =  99.985%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.40 +/- 1.16   2.031% *  0.3914% (1.00   0.02   0.02) =   0.008%
          HB2   GLN  116 - HN    ASP- 105  15.85 +/- 2.42   0.664% *  0.3836% (0.98   0.02   0.02) =   0.003%
          HB2   PRO   58 - HN    ASP- 105  17.23 +/- 4.04   1.017% *  0.1755% (0.45   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    ASP- 105  19.82 +/- 2.29   0.396% *  0.2216% (0.57   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    ASP- 105  17.53 +/- 2.52   0.684% *  0.1088% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.63, residual support = 41.2:
      O   HB2   ASP- 105 - HN    ASP- 105   3.52 +/- 0.34  84.252% * 99.3924% (0.80  10.0   4.63  41.18) =  99.989%  kept
          HG12  ILE  119 - HN    ASP- 105  12.62 +/- 3.57   3.295% *  0.0853% (0.69   1.0   0.02   0.12) =   0.003%
          HG2   GLU- 100 - HN    ASP- 105  11.59 +/- 0.86   2.483% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    ASP- 105  20.30 +/- 3.82   0.863% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ASP- 105  17.67 +/- 1.74   0.811% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP- 105  12.10 +/- 1.51   2.372% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  11.75 +/- 1.60   2.772% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    ASP- 105  19.59 +/- 1.87   0.602% *  0.0703% (0.57   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP- 105  18.84 +/- 1.75   0.642% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  19.89 +/- 4.01   1.349% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.00 +/- 3.50   0.558% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.774, support = 4.52, residual support = 39.5:
      O   HB3   ASP- 105 - HN    ASP- 105   2.84 +/- 0.25  69.973% * 70.4471% (0.76  10.0   4.54  41.18) =  93.117%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.17 +/- 0.29  12.704% * 21.4898% (0.98   1.0   4.76  21.95) =   5.157%  kept
          HB    ILE  103 - HN    ASP- 105   5.46 +/- 0.73  12.249% *  7.4320% (0.69   1.0   2.35   3.24) =   1.720%  kept
          HB    ILE   56 - HN    ASP- 105  16.25 +/- 2.94   0.656% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  16.09 +/- 3.62   0.725% *  0.0596% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASP- 105  15.33 +/- 3.37   0.862% *  0.0485% (0.53   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  16.45 +/- 2.42   0.501% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  16.37 +/- 1.88   0.468% *  0.0669% (0.73   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ASP- 105  21.94 +/- 4.03   0.443% *  0.0669% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ASP- 105  20.56 +/- 2.07   0.222% *  0.0890% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  21.06 +/- 1.58   0.185% *  0.0851% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  17.57 +/- 4.00   0.662% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.61 +/- 1.40   0.351% *  0.0346% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.54, support = 5.46, residual support = 30.5:
          HG    LEU  104 - HN    ASP- 105   4.24 +/- 0.57  49.167% * 51.0973% (0.45   6.43  35.90) =  61.258%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.21 +/- 0.87  33.238% * 47.7065% (0.69   3.92  21.95) =  38.664%  kept
          HB3   LYS+ 121 - HN    ASP- 105  11.01 +/- 6.09  13.909% *  0.1588% (0.45   0.02   0.02) =   0.054%
          HG2   LYS+  33 - HN    ASP- 105  17.49 +/- 3.04   1.325% *  0.3512% (0.99   0.02   0.02) =   0.011%
          HB3   LYS+ 111 - HN    ASP- 105  16.13 +/- 3.05   1.197% *  0.2006% (0.57   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HN    ASP- 105  18.36 +/- 1.83   0.688% *  0.2149% (0.61   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    ASP- 105  20.54 +/- 2.04   0.477% *  0.2708% (0.76   0.02   0.02) =   0.003%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.27, support = 4.84, residual support = 22.8:
          HB2   LEU  104 - HN    ASP- 105   2.70 +/- 0.40  44.403% * 60.2273% (0.22   6.36  35.90) =  59.780%  kept
          QG2   ILE  103 - HN    ASP- 105   2.70 +/- 0.71  47.883% * 37.5074% (0.34   2.58   3.24) =  40.147%  kept
          QD2   LEU   40 - HN    ASP- 105   6.40 +/- 1.23   4.915% *  0.4142% (0.49   0.02   0.02) =   0.046%
          QD1   LEU   67 - HN    ASP- 105  11.38 +/- 3.06   1.541% *  0.3815% (0.45   0.02   0.02) =   0.013%
          QD1   ILE  119 - HN    ASP- 105  11.62 +/- 2.91   0.777% *  0.4142% (0.49   0.02   0.12) =   0.007%
          HB    VAL   75 - HN    ASP- 105  13.89 +/- 1.67   0.305% *  0.8433% (0.99   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HN    ASP- 105  17.90 +/- 2.31   0.176% *  0.2122% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.978, support = 3.75, residual support = 21.9:
          HB2   ASP- 105 - HN    LYS+ 106   2.95 +/- 0.44  88.496% * 91.1277% (0.98   3.76  21.95) =  99.659%  kept
          HG12  ILE  119 - HN    LYS+ 106  11.69 +/- 3.06   3.690% *  7.0148% (0.41   0.69   0.02) =   0.320%  kept
          HB2   MET   96 - HN    LYS+ 106   8.07 +/- 0.83   5.248% *  0.1525% (0.31   0.02   2.13) =   0.010%
          HG3   MET   92 - HN    LYS+ 106  15.48 +/- 1.70   0.766% *  0.4430% (0.90   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    LYS+ 106  15.82 +/- 1.00   0.755% *  0.3775% (0.76   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LYS+ 106  20.11 +/- 1.78   0.337% *  0.4126% (0.84   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    LYS+ 106  23.00 +/- 3.41   0.247% *  0.3956% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    LYS+ 106  17.86 +/- 1.64   0.462% *  0.0762% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.966, support = 5.28, residual support = 127.9:
      O   QB    LYS+ 106 - HN    LYS+ 106   2.86 +/- 0.34  61.913% * 86.5193% (0.98  10.0   5.39 135.46) =  93.343%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.87 +/- 0.40  29.772% * 12.8158% (0.76   1.0   3.80  21.95) =   6.649%  kept
          HB    ILE  103 - HN    LYS+ 106   7.39 +/- 0.74   3.887% *  0.0606% (0.69   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    LYS+ 106  14.84 +/- 2.31   0.653% *  0.0766% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    LYS+ 106  20.78 +/- 3.88   0.708% *  0.0641% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LYS+ 106  19.50 +/- 2.19   0.302% *  0.0766% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.14 +/- 2.79   0.473% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  20.56 +/- 2.26   0.227% *  0.0852% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  16.89 +/- 3.90   0.951% *  0.0197% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  18.40 +/- 3.61   0.314% *  0.0571% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  19.82 +/- 1.43   0.199% *  0.0815% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  15.54 +/- 1.04   0.410% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  20.21 +/- 1.89   0.192% *  0.0641% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.57, residual support = 3.05:
          QG2   THR  118 - HN    LYS+ 106   6.65 +/- 3.90 100.000% *100.0000% (0.53   2.57   3.05) = 100.000%  kept
    Distance limit 4.70 A violated in 8 structures by 2.36 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 41.4:
          HB2   PHE   95 - HN    VAL  107   3.26 +/- 0.64 100.000% *100.0000% (1.00   2.31  41.37) = 100.000%  kept
    Distance limit 4.43 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   2.38 +/- 0.15  94.661% * 99.7350% (0.99  10.0   3.33  60.10) =  99.996%  kept
          QE    LYS+ 112 - HN    VAL  107  10.39 +/- 2.66   2.607% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    VAL  107   9.64 +/- 1.69   2.215% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    VAL  107  20.82 +/- 1.80   0.159% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  17.88 +/- 1.45   0.248% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.75 +/- 2.41   0.110% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.52, support = 5.04, residual support = 25.8:
          QB    LYS+ 106 - HN    VAL  107   3.21 +/- 0.25  72.697% * 85.1665% (0.53   5.13  26.36) =  97.865%  kept
          HB3   ASP- 105 - HN    VAL  107   6.27 +/- 0.65  11.962% * 10.8216% (0.25   1.37   0.02) =   2.046%  kept
          HB3   PRO   58 - HN    VAL  107  14.89 +/- 3.42   4.651% *  0.4586% (0.73   0.02   0.02) =   0.034%
          HB    ILE   56 - HN    VAL  107  12.23 +/- 1.57   1.701% *  0.5830% (0.92   0.02   0.02) =   0.016%
          HB2   MET   92 - HN    VAL  107  11.85 +/- 0.82   1.581% *  0.5664% (0.90   0.02   0.02) =   0.014%
          HB    ILE  103 - HN    VAL  107   9.40 +/- 1.05   3.463% *  0.1250% (0.20   0.02   0.02) =   0.007%
          HB3   GLN   30 - HN    VAL  107  17.55 +/- 1.92   0.594% *  0.6191% (0.98   0.02   0.02) =   0.006%
          QB    LYS+  81 - HN    VAL  107  18.03 +/- 2.20   0.786% *  0.3074% (0.49   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HN    VAL  107  21.05 +/- 1.47   0.293% *  0.6260% (0.99   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    VAL  107  16.57 +/- 1.14   0.578% *  0.2597% (0.41   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL  107  17.65 +/- 2.53   0.733% *  0.1406% (0.22   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    VAL  107  19.57 +/- 1.61   0.393% *  0.2154% (0.34   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    VAL  107  17.48 +/- 3.00   0.570% *  0.1106% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.197, support = 4.12, residual support = 59.9:
          QG1   VAL  107 - HN    VAL  107   3.42 +/- 0.31  86.141% * 91.2141% (0.20   4.13  60.10) =  99.755%  kept
          HG13  ILE  119 - HN    VAL  107  11.57 +/- 2.20   3.198% *  2.2113% (0.99   0.02   0.02) =   0.090%
          HD3   LYS+ 112 - HN    VAL  107  11.80 +/- 2.06   3.893% *  1.3532% (0.61   0.02   0.02) =   0.067%
          QG1   VAL   24 - HN    VAL  107  16.95 +/- 3.25   1.741% *  1.0859% (0.49   0.02   0.02) =   0.024%
          HB3   LEU   31 - HN    VAL  107  17.28 +/- 2.14   0.809% *  2.2261% (1.00   0.02   0.02) =   0.023%
          HG2   LYS+ 121 - HN    VAL  107  12.93 +/- 4.40   3.021% *  0.5563% (0.25   0.02   0.02) =   0.021%
          QB    ALA   20 - HN    VAL  107  16.21 +/- 2.50   1.197% *  1.3532% (0.61   0.02   0.02) =   0.021%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.7, residual support = 65.0:
      O   HB    VAL  108 - HN    VAL  108   2.92 +/- 0.45  89.508% * 99.4150% (0.95  10.0   4.70  65.00) =  99.993%  kept
          HB2   PRO   93 - HN    VAL  108  11.28 +/- 1.81   2.566% *  0.0994% (0.95   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    VAL  108  12.61 +/- 2.40   1.598% *  0.0803% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    VAL  108  17.66 +/- 2.48   0.825% *  0.1030% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    VAL  108  14.62 +/- 2.96   3.038% *  0.0184% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    VAL  108  21.32 +/- 1.78   0.286% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  16.05 +/- 3.85   1.121% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.40 +/- 0.75   0.267% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  21.94 +/- 2.10   0.279% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.92 +/- 2.51   0.300% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.78 +/- 3.53   0.119% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  33.98 +/- 5.54   0.093% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.63, residual support = 19.6:
          QG2   VAL  107 - HN    VAL  108   3.57 +/- 0.41  87.346% * 92.9846% (0.28   3.64  19.64) =  99.837%  kept
          HG13  ILE  119 - HN    VAL  108  12.89 +/- 2.12   2.827% *  1.7401% (0.95   0.02   0.02) =   0.060%
          HD3   LYS+ 112 - HN    VAL  108  11.30 +/- 1.54   4.150% *  0.6275% (0.34   0.02   0.02) =   0.032%
          HG2   LYS+ 121 - HN    VAL  108  14.03 +/- 4.14   2.673% *  0.8954% (0.49   0.02   0.02) =   0.029%
          QB    ALA   20 - HN    VAL  108  18.59 +/- 2.92   1.191% *  1.5957% (0.87   0.02   0.02) =   0.023%
          HB3   LEU   31 - HN    VAL  108  20.89 +/- 2.14   0.515% *  1.6981% (0.92   0.02   0.02) =   0.011%
          QG1   VAL   24 - HN    VAL  108  19.25 +/- 3.41   1.300% *  0.4587% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.65 A violated in 0 structures by 0.14 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.65, residual support = 19.6:
          QG1   VAL  107 - HN    VAL  108   3.51 +/- 0.38  93.119% * 95.7584% (0.25   4.66  19.64) =  99.903%  kept
          HG3   LYS+ 112 - HN    VAL  108  10.87 +/- 1.46   4.018% *  1.0004% (0.61   0.02   0.02) =   0.045%
          HG    LEU   63 - HN    VAL  108  14.97 +/- 2.71   2.081% *  1.5918% (0.97   0.02   0.02) =   0.037%
          QG2   VAL   24 - HN    VAL  108  18.69 +/- 2.58   0.781% *  1.6494% (1.00   0.02   0.02) =   0.014%
    Distance limit 3.51 A violated in 0 structures by 0.16 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.5:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.03  98.633% * 99.6957% (0.69  10.0   4.64  26.49) =  99.999%  kept
          HA    ALA   61 - HN    ASP-  76  12.60 +/- 2.48   0.766% *  0.0997% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ASP-  76  17.90 +/- 2.96   0.229% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  15.56 +/- 2.60   0.372% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.66, residual support = 35.5:
      O   HB2   ASP-  76 - HN    ASP-  76   2.81 +/- 0.38  89.266% * 96.3220% (1.00  10.0   3.67  35.63) =  99.696%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.07 +/- 0.78   7.395% *  3.5259% (0.73   1.0   1.01   3.93) =   0.302%  kept
          HB2   ASN   69 - HN    ASP-  76  17.90 +/- 2.83   0.576% *  0.0944% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    ASP-  76  16.06 +/- 5.27   1.285% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  15.35 +/- 2.41   0.838% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  17.40 +/- 3.86   0.641% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.7, residual support = 35.5:
      O   HB3   ASP-  76 - HN    ASP-  76   2.93 +/- 0.57  85.580% * 93.9855% (0.28  10.0   3.71  35.63) =  99.714%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.30 +/- 0.95   5.067% *  4.1521% (0.45   1.0   0.55   0.02) =   0.261%  kept
          QG    GLN   90 - HN    ASP-  76  11.43 +/- 1.74   2.308% *  0.2187% (0.65   1.0   0.02   0.02) =   0.006%
          HB3   PHE   72 - HN    ASP-  76  11.20 +/- 1.09   2.130% *  0.1914% (0.57   1.0   0.02   0.02) =   0.005%
          HG3   MET   92 - HN    ASP-  76  14.22 +/- 2.07   1.367% *  0.2932% (0.87   1.0   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HN    ASP-  76  17.32 +/- 5.86   0.951% *  0.3198% (0.95   1.0   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    ASP-  76  18.33 +/- 2.32   0.477% *  0.3198% (0.95   1.0   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    ASP-  76  18.86 +/- 5.09   0.780% *  0.1645% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ASP-  76  18.37 +/- 1.70   0.479% *  0.1645% (0.49   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  76  19.85 +/- 5.62   0.536% *  0.1153% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  21.03 +/- 2.37   0.325% *  0.0753% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.5:
          QG1   VAL   75 - HN    ASP-  76   3.20 +/- 0.38  97.053% * 99.7155% (0.69   4.97  26.49) =  99.991%  kept
          QD1   LEU  115 - HN    ASP-  76  12.81 +/- 2.74   2.947% *  0.2845% (0.49   0.02   0.02) =   0.009%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 26.5:
          QG2   VAL   75 - HN    ASP-  76   3.55 +/- 0.59  94.304% * 99.6072% (0.98   4.64  26.49) =  99.976%  kept
          QG2   VAL   42 - HN    ASP-  76  10.51 +/- 1.21   5.696% *  0.3928% (0.90   0.02   0.02) =   0.024%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.36:
      O   HA2   GLY  109 - HN    GLY  109   2.73 +/- 0.27  94.906% * 99.3336% (0.43  10.0   2.20   9.36) =  99.992%  kept
          HB2   TRP   49 - HN    GLY  109  15.68 +/- 4.22   1.607% *  0.1620% (0.70   1.0   0.02   0.02) =   0.003%
          HA    THR  118 - HN    GLY  109  12.52 +/- 2.20   1.321% *  0.1522% (0.65   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    GLY  109  14.67 +/- 1.86   0.718% *  0.1693% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    GLY  109  14.50 +/- 2.33   0.865% *  0.1341% (0.58   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  16.44 +/- 2.23   0.583% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.616, support = 0.157, residual support = 0.0413:
          HG3   LYS+ 111 - HN    GLY  109   7.09 +/- 1.41  46.927% * 24.2666% (0.70   0.11   0.02) =  69.809%  kept
          HG2   LYS+  74 - HN    GLY  109  16.94 +/- 2.80   4.779% * 57.0753% (0.46   0.41   0.15) =  16.722%  kept
          HD2   LYS+ 112 - HN    GLY  109  10.58 +/- 1.97  20.328% *  5.6453% (0.15   0.12   0.02) =   7.035%  kept
          HG12  ILE   89 - HN    GLY  109  11.59 +/- 2.75  19.164% *  4.4806% (0.73   0.02   0.02) =   5.264%  kept
          HG    LEU   71 - HN    GLY  109  21.81 +/- 3.49   2.788% *  3.0034% (0.49   0.02   0.02) =   0.513%  kept
          HG3   LYS+  99 - HN    GLY  109  21.78 +/- 0.84   1.884% *  2.6285% (0.43   0.02   0.02) =   0.304%  kept
          HG13  ILE   19 - HN    GLY  109  23.97 +/- 3.17   1.672% *  1.7425% (0.28   0.02   0.02) =   0.179%  kept
          HB3   LEU   71 - HN    GLY  109  21.66 +/- 3.69   2.457% *  1.1577% (0.19   0.02   0.02) =   0.174%  kept
    Distance limit 4.63 A violated in 12 structures by 1.95 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   2.60 +/- 0.32  98.424% * 98.9380% (0.65   3.09   7.39) =  99.994%  kept
          QD1   LEU   40 - HN    GLY  109  15.33 +/- 1.42   0.664% *  0.5069% (0.52   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    GLY  109  16.06 +/- 2.94   0.554% *  0.2517% (0.26   0.02   0.02) =   0.001%
          QD2   LEU   67 - HN    GLY  109  17.82 +/- 2.43   0.358% *  0.3034% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.39:
      O   HA2   GLY  109 - HN    ALA  110   2.88 +/- 0.37  94.410% * 99.3336% (0.57  10.0   2.20   6.39) =  99.991%  kept
          HB2   TRP   49 - HN    ALA  110  15.53 +/- 4.68   1.916% *  0.1620% (0.92   1.0   0.02   0.02) =   0.003%
          HA    THR  118 - HN    ALA  110  12.50 +/- 1.95   1.476% *  0.1522% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    ALA  110  14.48 +/- 1.72   0.898% *  0.1693% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    ALA  110  16.34 +/- 2.62   0.728% *  0.1341% (0.76   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  110  17.72 +/- 3.07   0.572% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.611, support = 0.02, residual support = 0.02:
          HB3   PRO   52 - HN    ALA  110  12.40 +/- 3.86  13.703% * 13.7167% (0.98   0.02   0.02) =  32.766%  kept
          HG2   PRO   93 - HN    ALA  110   8.54 +/- 3.55  29.472% *  3.1155% (0.22   0.02   0.02) =  16.006%  kept
          QB    LYS+ 106 - HN    ALA  110   9.13 +/- 1.09  19.777% *  2.7693% (0.20   0.02   0.02) =   9.547%  kept
          HG12  ILE  103 - HN    ALA  110  16.52 +/- 2.00   3.146% * 11.2053% (0.80   0.02   0.02) =   6.144%  kept
          HB3   ASP- 105 - HN    ALA  110  13.66 +/- 1.48   5.441% *  6.2738% (0.45   0.02   0.02) =   5.951%  kept
          HG    LEU  123 - HN    ALA  110  17.99 +/- 2.21   2.390% * 13.7167% (0.98   0.02   0.02) =   5.714%  kept
          QB    LYS+  81 - HN    ALA  110  19.14 +/- 4.21   9.060% *  3.1155% (0.22   0.02   0.02) =   4.921%  kept
          HG2   ARG+  54 - HN    ALA  110  16.17 +/- 2.76   3.294% *  6.8115% (0.49   0.02   0.02) =   3.912%  kept
          HB    ILE  103 - HN    ALA  110  16.85 +/- 1.53   2.983% *  7.3624% (0.53   0.02   0.02) =   3.828%  kept
          HB    VAL   41 - HN    ALA  110  19.95 +/- 2.14   1.801% *  9.0526% (0.65   0.02   0.02) =   2.842%  kept
          QB    LYS+  66 - HN    ALA  110  18.19 +/- 3.40   2.564% *  6.2738% (0.45   0.02   0.02) =   2.805%  kept
          HB3   GLN   90 - HN    ALA  110  16.09 +/- 2.74   3.804% *  3.8908% (0.28   0.02   0.02) =   2.580%  kept
          HG3   PRO   68 - HN    ALA  110  22.82 +/- 2.95   1.546% *  7.9226% (0.57   0.02   0.02) =   2.135%  kept
          QB    LYS+  33 - HN    ALA  110  25.66 +/- 2.33   1.018% *  4.7734% (0.34   0.02   0.02) =   0.847%  kept
    Distance limit 4.39 A violated in 12 structures by 2.16 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.58:
      O   QB    ALA  110 - HN    ALA  110   2.77 +/- 0.18  83.844% * 98.9553% (0.69  10.0   2.12   9.58) =  99.986%  kept
          HB3   LEU  115 - HN    ALA  110   8.31 +/- 2.28  11.561% *  0.0592% (0.41   1.0   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    ALA  110  18.99 +/- 5.06   1.616% *  0.1292% (0.90   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ALA  110  13.97 +/- 2.11   0.807% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA  110  18.26 +/- 3.48   0.444% *  0.1428% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  21.12 +/- 3.30   0.243% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  20.98 +/- 3.47   0.280% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.94 +/- 1.83   0.157% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.65 +/- 2.50   0.275% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  24.31 +/- 2.91   0.158% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  21.11 +/- 3.44   0.268% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.89 +/- 3.51   0.348% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.04, residual support = 314.5:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.12 +/- 0.67  54.318% * 99.2155% (1.00  10.0   7.06 315.03) =  99.839%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.56 +/- 1.22  43.050% *  0.1996% (0.53   1.0   0.08   0.24) =   0.159%  kept
          HB    ILE  119 - HN    LYS+ 111  12.11 +/- 1.08   1.109% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+ 111  23.39 +/- 3.08   0.203% *  0.0892% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  26.09 +/- 3.55   0.158% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  26.78 +/- 3.55   0.143% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.61 +/- 4.11   0.118% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.18 +/- 3.58   0.268% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  24.74 +/- 3.16   0.165% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  24.02 +/- 3.26   0.171% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.30 +/- 2.75   0.169% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.80 +/- 2.21   0.128% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 315.0:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.91 +/- 0.53  95.332% * 99.4649% (0.92  10.0   5.49 315.03) =  99.997%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  15.19 +/- 1.45   0.919% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    LYS+ 111  18.61 +/- 3.98   0.612% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+ 111  18.71 +/- 3.14   0.555% *  0.0863% (0.80   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  15.35 +/- 2.44   0.974% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  19.42 +/- 2.45   0.363% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.57 +/- 3.12   0.856% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.90 +/- 3.20   0.260% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  27.89 +/- 2.65   0.129% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.09 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.909, support = 6.5, residual support = 309.6:
          HG3   LYS+ 111 - HN    LYS+ 111   3.22 +/- 0.44  85.211% * 86.9420% (0.92   6.55 315.03) =  98.095%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.61 +/- 1.36  11.867% * 12.0772% (0.20   4.24  28.47) =   1.898%  kept
          HG12  ILE   89 - HN    LYS+ 111  15.19 +/- 2.29   1.122% *  0.2777% (0.97   0.02   0.02) =   0.004%
          HG2   LYS+  74 - HN    LYS+ 111  18.09 +/- 3.53   0.601% *  0.1745% (0.61   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    LYS+ 111  22.93 +/- 4.33   0.367% *  0.1861% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  23.59 +/- 2.08   0.246% *  0.1629% (0.57   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  24.50 +/- 3.27   0.235% *  0.1080% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.87 +/- 4.34   0.351% *  0.0717% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.731, support = 0.02, residual support = 0.02:
          QD1   ILE   56 - HN    LYS+ 111   7.57 +/- 2.97  57.184% * 26.3685% (0.76   0.02   0.02) =  65.464%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  16.40 +/- 2.03  11.369% * 33.2982% (0.97   0.02   0.02) =  16.436%  kept
          QD2   LEU  123 - HN    LYS+ 111  14.33 +/- 1.90  19.332% * 11.7694% (0.34   0.02   0.02) =   9.878%  kept
          QD2   LEU   73 - HN    LYS+ 111  16.38 +/- 3.87   9.310% * 16.7946% (0.49   0.02   0.02) =   6.788%  kept
          HG    LEU   31 - HN    LYS+ 111  24.18 +/- 2.76   2.805% * 11.7694% (0.34   0.02   0.02) =   1.433%  kept
    Distance limit 3.86 A violated in 16 structures by 3.33 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 = 238.2:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.78 +/- 0.07  96.872% * 99.8622% (0.87  10.0   5.76 238.19) =  99.999%  kept
          HB    THR   46 - HN    LYS+ 112  12.55 +/- 3.24   2.404% *  0.0393% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    LYS+ 112  17.39 +/- 1.31   0.422% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  23.44 +/- 5.70   0.302% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.863, support = 6.98, residual support = 28.3:
          HB2   LYS+ 111 - HN    LYS+ 112   3.58 +/- 0.42  63.955% * 95.8728% (0.87   7.03  28.47) =  99.203%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.23 +/- 0.55  22.744% *  2.1011% (0.28   0.48   1.17) =   0.773%  kept
          HB    ILE  119 - HN    LYS+ 112  11.00 +/- 1.21   2.760% *  0.1530% (0.49   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HN    LYS+ 112  11.82 +/- 3.31   5.604% *  0.0700% (0.22   0.02   0.02) =   0.006%
          HB    VAL  108 - HN    LYS+ 112  11.36 +/- 1.21   2.438% *  0.0874% (0.28   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    LYS+ 112  22.41 +/- 3.49   0.409% *  0.3143% (1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LYS+ 112  25.17 +/- 3.65   0.266% *  0.2517% (0.80   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    LYS+ 112  24.79 +/- 2.56   0.224% *  0.2517% (0.80   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 112  26.16 +/- 3.10   0.213% *  0.2517% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  24.47 +/- 2.37   0.230% *  0.1530% (0.49   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 112  28.47 +/- 4.48   0.181% *  0.1906% (0.61   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+ 112  21.28 +/- 4.12   0.554% *  0.0550% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  27.95 +/- 1.67   0.152% *  0.1779% (0.57   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.53 +/- 2.85   0.268% *  0.0700% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.73, residual support = 238.2:
      O   HB2   LYS+ 112 - HN    LYS+ 112   3.15 +/- 0.49  81.399% * 98.9690% (0.76  10.0   5.73 238.19) =  99.990%  kept
          HB3   PRO   93 - HN    LYS+ 112   9.10 +/- 3.10  12.371% *  0.0200% (0.15   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LYS+ 112  18.02 +/- 3.30   1.533% *  0.1195% (0.92   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    LYS+ 112  15.24 +/- 1.55   0.911% *  0.0838% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+ 112  19.14 +/- 4.39   0.636% *  0.1123% (0.87   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+ 112  17.52 +/- 1.96   0.594% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  18.25 +/- 1.44   0.500% *  0.0890% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+ 112  16.79 +/- 1.64   0.605% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  18.94 +/- 3.54   0.535% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  26.45 +/- 4.47   0.187% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.78 +/- 1.99   0.176% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  27.93 +/- 2.30   0.141% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  21.75 +/- 3.12   0.412% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.13 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.872, support = 6.02, residual support = 238.2:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.49 +/- 0.51  66.901% * 84.2027% (0.90  10.0   5.97 238.19) =  93.864%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.33 +/- 0.94  23.582% * 15.6017% (0.49   1.0   6.83 238.19) =   6.131%  kept
          QG2   THR   94 - HN    LYS+ 112   9.63 +/- 1.50   1.924% *  0.0814% (0.87   1.0   0.02   0.02) =   0.003%
          QG2   VAL  107 - HN    LYS+ 112   6.79 +/- 1.69   7.219% *  0.0186% (0.20   1.0   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 112  19.20 +/- 1.57   0.191% *  0.0569% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  22.66 +/- 3.76   0.184% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 237.9:
          HG2   LYS+ 112 - HN    LYS+ 112   3.82 +/- 0.53  85.908% * 98.1776% (0.34   6.24 238.19) =  99.887%  kept
          QB    ALA   47 - HN    LYS+ 112  10.74 +/- 2.77   9.196% *  0.7391% (0.80   0.02   0.02) =   0.080%
          QG1   VAL   42 - HN    LYS+ 112  12.91 +/- 1.71   2.824% *  0.6340% (0.69   0.02   0.02) =   0.021%
          QB    ALA   64 - HN    LYS+ 112  13.91 +/- 1.76   2.072% *  0.4493% (0.49   0.02   0.02) =   0.011%
    Distance limit 4.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 0.969, residual support = 5.49:
          QD1   ILE   56 - HN    LYS+ 112   5.77 +/- 3.19  62.036% * 94.5935% (0.76   0.98   5.54) =  99.197%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  17.07 +/- 1.08   7.537% *  2.4450% (0.97   0.02   0.02) =   0.312%  kept
          QD2   LEU  123 - HN    LYS+ 112  13.20 +/- 2.61  20.551% *  0.8642% (0.34   0.02   0.02) =   0.300%  kept
          QD2   LEU   73 - HN    LYS+ 112  16.24 +/- 3.81   7.594% *  1.2332% (0.49   0.02   0.02) =   0.158%  kept
          HG    LEU   31 - HN    LYS+ 112  24.61 +/- 2.79   2.281% *  0.8642% (0.34   0.02   0.02) =   0.033%
    Distance limit 4.01 A violated in 6 structures by 1.57 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 238.1:
          HG3   LYS+ 112 - HN    LYS+ 112   3.20 +/- 0.69  88.279% * 99.2155% (0.87   5.92 238.19) =  99.984%  kept
          HG    LEU   63 - HN    LYS+ 112  14.88 +/- 2.73   1.809% *  0.3785% (0.98   0.02   0.02) =   0.008%
          QG2   VAL  108 - HN    LYS+ 112   9.73 +/- 1.48   9.326% *  0.0596% (0.15   0.02   0.02) =   0.006%
          QG2   VAL   24 - HN    LYS+ 112  20.68 +/- 3.60   0.586% *  0.3463% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.17 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.43, residual support = 15.5:
      O   HA    LYS+ 112 - HN    ASP- 113   3.56 +/- 0.05  95.758% * 99.8622% (0.74  10.0   5.43  15.52) =  99.998%  kept
          HB    THR   46 - HN    ASP- 113  14.27 +/- 3.18   2.453% *  0.0393% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    ASP- 113  16.41 +/- 1.06   1.030% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  24.28 +/- 6.23   0.759% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.47, residual support = 14.4:
      O   QB    ASP- 113 - HN    ASP- 113   2.18 +/- 0.20 100.000% *100.0000% (0.82  10.0   3.47  14.41) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.265, support = 3.16, residual support = 23.0:
          QG    GLU- 114 - HN    ASP- 113   4.68 +/- 0.76  66.494% * 94.1585% (0.26   3.18  23.12) =  99.376%  kept
          HG2   PRO   52 - HN    ASP- 113  12.19 +/- 3.84  19.679% *  1.4646% (0.65   0.02   0.02) =   0.457%  kept
          HB2   PRO   58 - HN    ASP- 113  11.95 +/- 2.27   7.245% *  0.9328% (0.41   0.02   0.02) =   0.107%  kept
          HG2   MET   92 - HN    ASP- 113  14.04 +/- 3.67   5.279% *  0.4779% (0.21   0.02   0.02) =   0.040%
          HB2   GLU-  79 - HN    ASP- 113  23.25 +/- 3.73   0.770% *  0.7193% (0.32   0.02   0.02) =   0.009%
          HG3   GLU-  25 - HN    ASP- 113  31.15 +/- 5.22   0.302% *  1.7691% (0.79   0.02   0.02) =   0.008%
          HG3   GLU-  36 - HN    ASP- 113  33.08 +/- 2.71   0.230% *  0.4779% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.72 A violated in 0 structures by 0.12 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.728, support = 2.59, residual support = 9.62:
          HB2   LYS+ 111 - HN    ASP- 113   3.61 +/- 0.42  62.037% * 52.5667% (0.85   2.18   3.71) =  69.509%  kept
          QB    GLU- 114 - HN    ASP- 113   4.58 +/- 0.30  32.052% * 44.5953% (0.45   3.51  23.12) =  30.467%  kept
          HB    ILE  119 - HN    ASP- 113   9.74 +/- 0.93   3.532% *  0.1203% (0.21   0.02   0.02) =   0.009%
          HB3   PRO   68 - HN    ASP- 113  22.39 +/- 3.48   0.356% *  0.4327% (0.76   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    ASP- 113  25.39 +/- 3.94   0.310% *  0.4730% (0.84   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    ASP- 113  26.24 +/- 3.41   0.204% *  0.4730% (0.84   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    ASP- 113  21.22 +/- 4.08   0.471% *  0.1811% (0.32   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    ASP- 113  29.32 +/- 5.28   0.196% *  0.4185% (0.74   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASP- 113  23.95 +/- 3.23   0.272% *  0.2163% (0.38   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ASP- 113  25.31 +/- 2.90   0.213% *  0.2539% (0.45   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASP- 113  25.04 +/- 2.73   0.218% *  0.1203% (0.21   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  28.11 +/- 1.90   0.140% *  0.1489% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.16, residual support = 15.5:
          HB2   LYS+ 112 - HN    ASP- 113   3.63 +/- 0.35  86.372% * 96.1178% (0.65   5.16  15.52) =  99.962%  kept
          HG3   LYS+  65 - HN    ASP- 113  18.35 +/- 2.53   1.171% *  0.4502% (0.79   0.02   0.02) =   0.006%
          HB3   LEU   73 - HN    ASP- 113  20.21 +/- 4.61   1.115% *  0.4230% (0.74   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    ASP- 113  10.77 +/- 2.77   5.439% *  0.0752% (0.13   0.02   0.02) =   0.005%
          HB    VAL   42 - HN    ASP- 113  18.00 +/- 2.39   0.866% *  0.4502% (0.79   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HN    ASP- 113  15.63 +/- 1.39   1.165% *  0.3155% (0.55   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ASP- 113  15.70 +/- 1.84   1.296% *  0.1830% (0.32   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP- 113  18.72 +/- 1.43   0.697% *  0.3350% (0.59   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    ASP- 113  20.14 +/- 3.44   0.675% *  0.2005% (0.35   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    ASP- 113  26.64 +/- 4.76   0.292% *  0.4502% (0.79   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    ASP- 113  25.97 +/- 2.16   0.266% *  0.4073% (0.71   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ASP- 113  28.32 +/- 2.60   0.205% *  0.4706% (0.82   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  23.28 +/- 2.84   0.439% *  0.1216% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.21 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.681, support = 4.95, residual support = 15.4:
          HB3   LYS+ 112 - HN    ASP- 113   3.40 +/- 0.45  59.027% * 58.1801% (0.76   4.79  15.52) =  76.783%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.34 +/- 1.18  26.731% * 37.1354% (0.41   5.64  15.52) =  22.194%  kept
          QG2   VAL  107 - HN    ASP- 113   7.07 +/- 1.62  10.785% *  4.1743% (0.17   1.56   0.02) =   1.007%  kept
          QG2   THR   94 - HN    ASP- 113  10.66 +/- 1.29   2.642% *  0.2348% (0.74   0.02   0.02) =   0.014%
          HG13  ILE  103 - HN    ASP- 113  19.77 +/- 1.42   0.354% *  0.1642% (0.52   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    ASP- 113  23.11 +/- 4.17   0.462% *  0.1113% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.91 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 = 3.4, residual support = 23.1:
      O   HA    ASP- 113 - HN    GLU- 114   3.57 +/- 0.05  88.142% * 99.6702% (1.00  10.0   3.40  23.12) =  99.992%  kept
          HA    ILE   56 - HN    GLU- 114   9.93 +/- 1.70   5.539% *  0.0606% (0.61   1.0   0.02   0.02) =   0.004%
          HA    PHE   59 - HN    GLU- 114  10.61 +/- 1.37   4.078% *  0.0606% (0.61   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    GLU- 114  16.12 +/- 1.13   1.015% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  21.88 +/- 2.12   0.417% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.22 +/- 2.16   0.189% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  20.02 +/- 2.64   0.621% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.4, residual support = 23.1:
          QB    ASP- 113 - HN    GLU- 114   2.84 +/- 0.25  98.714% * 99.8644% (0.97   3.40  23.12) =  99.998%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.02 +/- 1.67   1.286% *  0.1356% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.32, residual support = 43.4:
          QG    GLU- 114 - HN    GLU- 114   2.69 +/- 0.62  91.845% * 97.6887% (0.84   4.32  43.42) =  99.955%  kept
          HG2   PRO   52 - HN    GLU- 114  12.89 +/- 3.19   5.720% *  0.5302% (0.98   0.02   0.02) =   0.034%
          HG2   MET   92 - HN    GLU- 114  13.75 +/- 3.40   2.005% *  0.4134% (0.76   0.02   0.02) =   0.009%
          HB2   GLU-  79 - HN    GLU- 114  22.82 +/- 3.39   0.242% *  0.4851% (0.90   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    GLU- 114  30.52 +/- 5.20   0.108% *  0.4692% (0.87   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    GLU- 114  31.83 +/- 2.82   0.080% *  0.4134% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.839, support = 4.03, residual support = 41.1:
      O   QB    GLU- 114 - HN    GLU- 114   2.28 +/- 0.23  66.589% * 89.1279% (0.84  10.0   4.13  43.42) =  94.601%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.51 +/- 1.04  32.824% * 10.3174% (0.90   1.0   2.16   0.24) =   5.398%  kept
          HG2   PRO   68 - HN    GLU- 114  20.66 +/- 3.69   0.134% *  0.0733% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  24.93 +/- 3.99   0.086% *  0.1009% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.27 +/- 3.45   0.082% *  0.0815% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  28.73 +/- 5.31   0.060% *  0.1067% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  21.91 +/- 3.14   0.099% *  0.0647% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  25.60 +/- 3.73   0.062% *  0.1009% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  24.37 +/- 3.13   0.064% *  0.0266% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.921, support = 0.125, residual support = 0.233:
          HB3   LYS+ 111 - HN    GLU- 114   3.75 +/- 0.66  87.281% * 54.0668% (0.92   0.13   0.24) =  98.374%  kept
          HB3   LYS+ 121 - HN    GLU- 114  12.79 +/- 0.79   2.658% *  9.0659% (0.98   0.02   0.02) =   0.502%  kept
          QD    LYS+  66 - HN    GLU- 114  17.19 +/- 3.36   2.273% *  7.4061% (0.80   0.02   0.02) =   0.351%  kept
          HD2   LYS+ 121 - HN    GLU- 114  12.95 +/- 1.97   3.154% *  3.8024% (0.41   0.02   0.02) =   0.250%  kept
          HD3   LYS+  74 - HN    GLU- 114  18.88 +/- 3.85   1.076% *  8.2948% (0.90   0.02   0.02) =   0.186%  kept
          HG    LEU  104 - HN    GLU- 114  18.83 +/- 2.33   0.936% *  9.0659% (0.98   0.02   0.02) =   0.177%  kept
          HG2   LYS+  65 - HN    GLU- 114  18.14 +/- 2.60   1.615% *  3.1549% (0.34   0.02   0.02) =   0.106%  kept
          QG2   THR   26 - HN    GLU- 114  21.66 +/- 3.68   0.679% *  2.5716% (0.28   0.02   0.02) =   0.036%
          HG2   LYS+  33 - HN    GLU- 114  27.41 +/- 2.95   0.330% *  2.5716% (0.28   0.02   0.02) =   0.018%
    Distance limit 4.20 A violated in 0 structures by 0.07 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 = 0.445, support = 1.54, residual support = 3.49:
          QG2   VAL  107 - HN    GLU- 114   5.64 +/- 1.76  45.868% * 43.8520% (0.53   1.37   4.97) =  63.664%  kept
          HD3   LYS+ 112 - HN    GLU- 114   5.84 +/- 1.13  39.720% * 21.1964% (0.15   2.26   1.17) =  26.648%  kept
          HG13  ILE  119 - HN    GLU- 114   9.76 +/- 1.43   9.503% * 31.7821% (0.73   0.72   0.15) =   9.559%  kept
          HG2   LYS+ 121 - HN    GLU- 114  14.20 +/- 1.55   2.243% *  0.9305% (0.76   0.02   0.02) =   0.066%
          QB    ALA   20 - HN    GLU- 114  18.83 +/- 4.17   1.210% *  1.2149% (1.00   0.02   0.02) =   0.047%
          HB3   LEU   31 - HN    GLU- 114  24.79 +/- 2.28   0.410% *  0.8363% (0.69   0.02   0.02) =   0.011%
          HG13  ILE  103 - HN    GLU- 114  18.03 +/- 1.61   1.046% *  0.1879% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.82 A violated in 0 structures by 0.13 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.19 +/- 0.50  96.184% * 99.4046% (0.57  10.0   3.86  14.93) =  99.996%  kept
          HA    GLN   30 - HN    GLY  101  13.91 +/- 3.94   2.082% *  0.1065% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    GLY  101  17.70 +/- 5.02   0.945% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLY  101  25.43 +/- 3.06   0.263% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  24.98 +/- 3.37   0.307% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  28.95 +/- 4.19   0.219% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.84 +/- 0.15  98.551% * 99.9154% (0.53  10.0   2.86  15.43) =  99.999%  kept
          HB2   TRP   27 - HN    GLY  101  16.46 +/- 3.73   1.038% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.27 +/- 2.96   0.411% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.38, residual support = 75.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.26 +/- 0.11  97.998% * 99.4046% (0.57  10.0   6.38  75.73) =  99.998%  kept
          HA    GLN   30 - HN    GLU- 100  12.25 +/- 3.60   1.413% *  0.1065% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    GLU- 100  18.32 +/- 4.59   0.329% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  24.63 +/- 2.71   0.089% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  23.77 +/- 3.01   0.102% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  28.44 +/- 3.82   0.069% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.686, support = 4.29, residual support = 75.7:
          HG3   GLU- 100 - HN    GLU- 100   3.56 +/- 0.49  86.660% * 97.4353% (0.69   4.30  75.73) =  99.919%  kept
          QB    GLN   32 - HN    GLU- 100  11.56 +/- 3.30   6.357% *  0.6474% (0.98   0.02   0.02) =   0.049%
          HB2   PRO   68 - HN    GLU- 100  15.62 +/- 3.37   2.644% *  0.6474% (0.98   0.02   0.02) =   0.020%
          HB    VAL   24 - HN    GLU- 100  18.99 +/- 3.10   0.708% *  0.6248% (0.95   0.02   0.02) =   0.005%
          HB2   GLU-  14 - HN    GLU- 100  19.52 +/- 5.14   2.032% *  0.1470% (0.22   0.02   0.02) =   0.004%
          HG2   MET   11 - HN    GLU- 100  24.57 +/- 6.41   0.899% *  0.1307% (0.20   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU- 100  23.25 +/- 2.99   0.423% *  0.1836% (0.28   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU- 100  27.76 +/- 4.60   0.276% *  0.1836% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 39.7:
          HB2   LYS+  99 - HN    GLU- 100   4.41 +/- 0.14  92.320% * 99.1221% (0.73   5.59  39.72) =  99.970%  kept
          HB    VAL   43 - HN    GLU- 100  11.96 +/- 1.43   5.677% *  0.4080% (0.84   0.02   0.02) =   0.025%
          QD    LYS+  81 - HN    GLU- 100  23.11 +/- 3.15   0.807% *  0.3733% (0.76   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    GLU- 100  19.96 +/- 2.72   1.197% *  0.0967% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 6.37, residual support = 39.7:
          HG2   LYS+  99 - HN    GLU- 100   3.15 +/- 0.67  80.289% * 98.3918% (0.90   6.38  39.72) =  99.940%  kept
          HG2   LYS+  38 - HN    GLU- 100   9.04 +/- 2.53   7.092% *  0.3321% (0.97   0.02   0.02) =   0.030%
          HB2   LEU   31 - HN    GLU- 100  10.61 +/- 3.55   8.535% *  0.1948% (0.57   0.02   0.02) =   0.021%
          QB    ALA   88 - HN    GLU- 100  18.30 +/- 1.53   0.624% *  0.3255% (0.95   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    GLU- 100  16.60 +/- 1.89   0.970% *  0.2087% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    GLU- 100  19.77 +/- 4.59   0.674% *  0.1415% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    GLU- 100  16.36 +/- 2.02   0.771% *  0.1062% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  16.02 +/- 1.20   0.857% *  0.0766% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLU- 100  26.30 +/- 2.56   0.187% *  0.2226% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.82, residual support = 174.9:
      O   HB2   LYS+  99 - HN    LYS+  99   2.94 +/- 0.23  88.650% * 99.7262% (0.99  10.0   4.82 174.90) =  99.996%  kept
          HB    VAL   43 - HN    LYS+  99  10.41 +/- 1.48   2.594% *  0.0952% (0.95   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LYS+  99  19.57 +/- 5.11   0.924% *  0.0570% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HN    GLN   30  14.80 +/- 4.15   3.658% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  22.26 +/- 2.69   0.241% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  13.62 +/- 3.33   2.263% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  13.88 +/- 3.46   1.218% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  20.63 +/- 6.48   0.452% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.98, residual support = 18.5:
          QB    LEU   98 - HN    LYS+  99   3.17 +/- 0.42  64.203% * 93.7739% (0.57   3.99  18.51) =  99.893%  kept
          QB    ALA   61 - HN    LYS+  99  15.46 +/- 3.79   2.447% *  0.5040% (0.61   0.02   0.02) =   0.020%
          HD3   LYS+ 121 - HN    LYS+  99  15.72 +/- 7.20   1.680% *  0.7207% (0.87   0.02   0.02) =   0.020%
          HB3   LYS+  74 - HN    LYS+  99  17.14 +/- 2.64   0.930% *  0.6940% (0.84   0.02   0.02) =   0.011%
          HG12  ILE   19 - HN    LYS+  99  16.94 +/- 3.52   0.703% *  0.7452% (0.90   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    LYS+  99  18.66 +/- 4.39   0.619% *  0.8019% (0.97   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    LYS+  99  14.66 +/- 2.86   1.194% *  0.3725% (0.45   0.02   0.02) =   0.007%
          HG    LEU   80 - HN    LYS+  99  19.28 +/- 4.82   0.649% *  0.6653% (0.80   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    LYS+  99  18.29 +/- 1.46   0.406% *  0.6940% (0.84   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    GLN   30   9.37 +/- 2.40   4.157% *  0.0490% (0.06   0.02   4.00) =   0.003%
          QG    LYS+  66 - HN    LYS+  99  16.16 +/- 3.26   0.846% *  0.2310% (0.28   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LYS+  99  13.88 +/- 2.69   1.206% *  0.1282% (0.15   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    LYS+  99  20.00 +/- 4.00   0.601% *  0.2565% (0.31   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    GLN   30  16.36 +/- 8.01   1.697% *  0.0527% (0.06   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    GLN   30  16.03 +/- 8.68   1.773% *  0.0437% (0.05   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    GLN   30  10.25 +/- 4.97   8.716% *  0.0084% (0.01   0.02   4.06) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  13.51 +/- 3.18   1.237% *  0.0456% (0.05   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  12.05 +/- 2.71   1.816% *  0.0309% (0.04   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    GLN   30  23.01 +/- 7.20   1.100% *  0.0474% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  15.46 +/- 2.69   1.076% *  0.0331% (0.04   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN   30  15.11 +/- 2.47   0.910% *  0.0245% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  14.03 +/- 3.20   1.217% *  0.0168% (0.02   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  22.41 +/- 2.37   0.223% *  0.0456% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  16.96 +/- 2.59   0.593% *  0.0152% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.747, support = 3.6, residual support = 17.9:
          QD2   LEU  104 - HN    LYS+  99   3.35 +/- 1.22  42.692% * 49.6571% (0.80   3.37  17.37) =  53.878%  kept
          QD1   LEU   98 - HN    LYS+  99   3.71 +/- 1.00  36.905% * 48.9146% (0.69   3.87  18.51) =  45.878%  kept
          QD1   ILE   19 - HN    GLN   30   7.22 +/- 2.13   9.622% *  0.9464% (0.04   1.21   4.00) =   0.231%  kept
          QD1   ILE   19 - HN    LYS+  99  14.30 +/- 2.95   0.904% *  0.2378% (0.65   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    LYS+  99  15.62 +/- 3.86   1.085% *  0.0818% (0.22   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    GLN   30  13.76 +/- 4.24   3.222% *  0.0193% (0.05   0.02   0.92) =   0.002%
          QG2   THR   46 - HN    LYS+  99  15.69 +/- 1.50   0.499% *  0.1135% (0.31   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  12.03 +/- 2.94   1.972% *  0.0166% (0.05   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    GLN   30  10.65 +/- 2.14   2.414% *  0.0054% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  15.60 +/- 2.99   0.685% *  0.0075% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.852, support = 4.23, residual support = 17.1:
          QD1   LEU  104 - HN    LYS+  99   3.67 +/- 0.85  46.178% * 92.2359% (0.87   4.28  17.37) =  98.091%  kept
          QD1   LEU   73 - HN    GLN   30   8.36 +/- 5.00  20.484% *  3.0329% (0.06   2.14   4.06) =   1.431%  kept
          QD1   LEU  104 - HN    GLN   30  13.00 +/- 4.07   7.554% *  1.8398% (0.06   1.30   0.92) =   0.320%  kept
          QD2   LEU   80 - HN    GLN   30  12.80 +/- 7.78   5.149% *  0.6141% (0.07   0.38   0.02) =   0.073%
          QD1   LEU   63 - HN    LYS+  99  12.25 +/- 1.95   2.183% *  0.4313% (0.87   0.02   0.02) =   0.022%
          QD1   LEU   73 - HN    LYS+  99  12.09 +/- 2.45   2.126% *  0.4313% (0.87   0.02   0.02) =   0.021%
          QD2   LEU   80 - HN    LYS+  99  15.72 +/- 4.02   1.046% *  0.4928% (0.99   0.02   0.02) =   0.012%
          QD2   LEU  115 - HN    LYS+  99  15.65 +/- 2.29   0.881% *  0.4961% (1.00   0.02   0.02) =   0.010%
          QG1   VAL   83 - HN    LYS+  99  13.31 +/- 4.16   1.869% *  0.2044% (0.41   0.02   0.02) =   0.009%
          QD2   LEU   63 - HN    LYS+  99  11.94 +/- 2.43   2.201% *  0.1382% (0.28   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    GLN   30  13.21 +/- 3.63   4.142% *  0.0283% (0.06   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    GLN   30  13.09 +/- 6.68   3.332% *  0.0134% (0.03   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  13.55 +/- 3.58   2.304% *  0.0091% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  18.92 +/- 3.19   0.552% *  0.0326% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 3.94, residual support = 10.6:
          HB3   PHE   97 - HN    LEU   98   3.96 +/- 0.48  84.590% * 97.4914% (0.65   3.94  10.62) =  99.896%  kept
          HB2   GLU- 100 - HN    LEU   98   9.23 +/- 0.66   7.889% *  0.6856% (0.90   0.02   0.02) =   0.066%
          QG    GLN   32 - HN    LEU   98  14.37 +/- 2.21   2.697% *  0.4022% (0.53   0.02   0.02) =   0.013%
          QG    GLU-  79 - HN    LEU   98  17.13 +/- 2.64   1.471% *  0.6385% (0.84   0.02   0.02) =   0.011%
          HB2   GLN  116 - HN    LEU   98  17.70 +/- 2.54   1.278% *  0.6121% (0.80   0.02   0.02) =   0.009%
          HB2   PRO   58 - HN    LEU   98  17.42 +/- 3.18   2.075% *  0.1702% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.696, support = 4.06, residual support = 27.2:
          HB    VAL   41 - HN    LEU   98   5.12 +/- 1.38  32.047% * 44.2302% (0.65   5.01  26.26) =  53.005%  kept
          HG12  ILE  103 - HN    LEU   98   5.25 +/- 1.13  29.995% * 35.6936% (0.80   3.27  30.51) =  40.036%  kept
          HB3   ASP- 105 - HN    LEU   98   6.66 +/- 0.49  10.790% * 10.1021% (0.45   1.65   5.97) =   4.076%  kept
          HB    ILE  103 - HN    LEU   98   7.19 +/- 0.46   8.887% *  7.8189% (0.53   1.09  30.51) =   2.599%  kept
          QB    LYS+ 106 - HN    LEU   98   8.07 +/- 0.62   6.565% *  0.9205% (0.20   0.34   0.02) =   0.226%  kept
          HG3   PRO   68 - HN    LEU   98  13.39 +/- 2.93   2.594% *  0.1544% (0.57   0.02   0.02) =   0.015%
          QB    LYS+  66 - HN    LEU   98  12.87 +/- 2.56   2.449% *  0.1223% (0.45   0.02   0.02) =   0.011%
          HG    LEU  123 - HN    LEU   98  17.94 +/- 4.28   1.001% *  0.2674% (0.98   0.02   0.02) =   0.010%
          HB3   PRO   52 - HN    LEU   98  21.07 +/- 3.72   0.775% *  0.2674% (0.98   0.02   0.02) =   0.008%
          QB    LYS+  33 - HN    LEU   98  12.93 +/- 1.76   1.664% *  0.0931% (0.34   0.02   0.02) =   0.006%
          HG2   PRO   93 - HN    LEU   98  16.48 +/- 2.26   1.803% *  0.0607% (0.22   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    LEU   98  21.48 +/- 3.20   0.515% *  0.1328% (0.49   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    LEU   98  18.73 +/- 2.07   0.536% *  0.0607% (0.22   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   98  20.40 +/- 1.58   0.379% *  0.0758% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.08 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.831, support = 4.77, residual support = 75.5:
      O   QB    LEU   98 - HN    LEU   98   2.79 +/- 0.26  65.975% * 97.2677% (0.84  10.0   4.78  75.93) =  99.421%  kept
          HB    VAL   42 - HN    LEU   98   5.40 +/- 1.46  18.122% *  2.0062% (0.18   1.0   1.97   0.41) =   0.563%  kept
          HD3   LYS+ 121 - HN    LEU   98  13.91 +/- 6.35   2.684% *  0.1162% (1.00   1.0   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    LEU   98  12.14 +/- 3.76   5.724% *  0.0397% (0.34   1.0   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    LEU   98  13.62 +/- 2.49   1.610% *  0.1154% (0.99   1.0   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    LEU   98  16.16 +/- 3.79   0.552% *  0.1141% (0.98   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    LEU   98  14.91 +/- 3.32   0.735% *  0.0753% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   98  11.61 +/- 2.83   1.903% *  0.0259% (0.22   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LEU   98  16.81 +/- 4.14   0.488% *  0.0613% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.55 +/- 1.53   0.435% *  0.0659% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  19.07 +/- 3.24   0.431% *  0.0659% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.12 +/- 2.08   0.843% *  0.0259% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  15.34 +/- 2.27   0.498% *  0.0204% (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 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.948, support = 4.37, residual support = 12.1:
          QD2   LEU   40 - HN    LEU   98   3.44 +/- 0.70  49.522% * 72.7073% (0.97   4.71   9.89) =  88.966%  kept
          QG2   ILE  103 - HN    LEU   98   5.18 +/- 0.37  17.175% * 23.8052% (0.87   1.72  30.51) =  10.102%  kept
          QD1   ILE  103 - HN    LEU   98   6.00 +/- 0.86  12.360% *  2.6195% (0.20   0.83  30.51) =   0.800%  kept
          QD1   LEU   67 - HN    LEU   98   8.69 +/- 2.72  13.114% *  0.3025% (0.95   0.02   0.02) =   0.098%
          HG3   LYS+  74 - HN    LEU   98  14.82 +/- 2.50   2.397% *  0.2444% (0.76   0.02   0.02) =   0.014%
          HB    VAL   75 - HN    LEU   98  10.95 +/- 1.47   2.194% *  0.2322% (0.73   0.02   0.02) =   0.013%
          QD2   LEU   71 - HN    LEU   98   9.59 +/- 1.41   3.239% *  0.0889% (0.28   0.02   0.02) =   0.007%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.575, support = 3.27, residual support = 45.7:
          QD1   LEU   98 - HN    LEU   98   4.04 +/- 0.89  30.570% * 44.2349% (0.38   4.66  75.93) =  52.643%  kept
          QD2   LEU  104 - HN    LEU   98   4.97 +/- 1.08  23.217% * 39.7691% (0.99   1.59  10.11) =  35.944%  kept
          QG1   VAL   41 - HN    LEU   98   5.16 +/- 1.04  18.838% * 10.9602% (0.15   2.81  26.26) =   8.038%  kept
          QG1   VAL   43 - HN    LEU   98   5.78 +/- 1.93  21.037% *  4.0157% (0.28   0.57   0.02) =   3.289%  kept
          QD1   ILE   19 - HN    LEU   98  12.73 +/- 2.82   2.722% *  0.4670% (0.92   0.02   0.02) =   0.049%
          QG2   VAL   18 - HN    LEU   98  13.37 +/- 3.88   2.317% *  0.2463% (0.49   0.02   0.02) =   0.022%
          QG2   THR   46 - HN    LEU   98  12.43 +/- 1.43   1.298% *  0.3069% (0.61   0.02   0.02) =   0.016%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.251, support = 3.94, residual support = 36.5:
          QG2   VAL   41 - HN    LEU   98   4.64 +/- 1.35  22.602% * 46.2222% (0.28   4.64  26.26) =  39.957%  kept
          QD2   LEU   98 - HN    LEU   98   3.76 +/- 0.65  30.749% * 25.8462% (0.15   4.68  75.93) =  30.397%  kept
          QD1   LEU  104 - HN    LEU   98   3.98 +/- 1.08  30.445% * 25.1564% (0.31   2.28  10.11) =  29.293%  kept
          QD1   LEU   63 - HN    LEU   98   9.08 +/- 2.03   5.187% *  0.6422% (0.90   0.02   0.02) =   0.127%  kept
          QD2   LEU   63 - HN    LEU   98   8.88 +/- 2.52   5.388% *  0.5981% (0.84   0.02   0.02) =   0.123%  kept
          QD1   LEU   73 - HN    LEU   98   9.71 +/- 2.20   2.780% *  0.6422% (0.90   0.02   0.02) =   0.068%
          QD2   LEU  115 - HN    LEU   98  12.53 +/- 2.21   1.067% *  0.4054% (0.57   0.02   0.02) =   0.017%
          QD2   LEU   80 - HN    LEU   98  13.74 +/- 3.44   0.900% *  0.3767% (0.53   0.02   0.02) =   0.013%
          QD1   LEU   80 - HN    LEU   98  13.75 +/- 3.59   0.879% *  0.1105% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.943, support = 4.79, residual support = 61.9:
      O   HB2   PHE   97 - HN    PHE   97   2.73 +/- 0.52  77.543% * 96.2374% (0.95  10.0   4.81  62.26) =  99.372%  kept
          QE    LYS+ 106 - HN    PHE   97   5.59 +/- 0.83  13.293% *  3.5154% (0.53   1.0   1.31  10.88) =   0.622%  kept
          HB3   TRP   27 - HN    PHE   97  14.43 +/- 2.43   1.559% *  0.0982% (0.97   1.0   0.02   0.02) =   0.002%
          QE    LYS+  99 - HN    PHE   97   9.70 +/- 0.62   2.410% *  0.0617% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   PHE   60 - HN    PHE   97  12.58 +/- 2.60   2.455% *  0.0347% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    PHE   97   9.69 +/- 0.80   2.162% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    PHE   97  15.51 +/- 1.81   0.578% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 44.0:
          HG2   MET   96 - HN    PHE   97   3.89 +/- 0.70  92.583% * 99.4687% (0.73   5.59  44.01) =  99.985%  kept
          HB2   ASP-  62 - HN    PHE   97  14.31 +/- 3.16   5.820% *  0.1221% (0.25   0.02   0.02) =   0.008%
          HB2   PRO   52 - HN    PHE   97  18.96 +/- 4.05   1.597% *  0.4091% (0.84   0.02   0.02) =   0.007%
    Distance limit 4.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.13, residual support = 61.8:
      O   HB3   PHE   97 - HN    PHE   97   3.08 +/- 0.55  84.750% * 93.7717% (0.34  10.0   5.16  62.26) =  99.208%  kept
          HB    VAL  107 - HN    PHE   97   6.43 +/- 0.66  11.564% *  5.4239% (0.28   1.0   1.42   5.19) =   0.783%  kept
          HB2   GLU- 100 - HN    PHE   97  12.58 +/- 0.93   1.533% *  0.1667% (0.61   1.0   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    PHE   97  17.42 +/- 1.89   0.664% *  0.2743% (1.00   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    PHE   97  17.25 +/- 2.08   0.624% *  0.2296% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  15.25 +/- 2.17   0.865% *  0.1338% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.688, support = 4.58, residual support = 53.4:
          HB2   ASP- 105 - HN    PHE   97   4.81 +/- 1.00  38.266% * 63.3127% (0.98   3.44  60.75) =  56.450%  kept
          HB2   MET   96 - HN    PHE   97   4.05 +/- 0.36  52.991% * 35.2350% (0.31   6.07  44.01) =  43.505%  kept
          HG12  ILE  119 - HN    PHE   97  12.12 +/- 3.24   3.494% *  0.1546% (0.41   0.02   0.72) =   0.013%
          HG2   GLU- 100 - HN    PHE   97  12.73 +/- 0.74   1.760% *  0.2874% (0.76   0.02   0.02) =   0.012%
          HG3   MET   92 - HN    PHE   97  15.04 +/- 1.52   1.189% *  0.3372% (0.90   0.02   0.02) =   0.009%
          HB3   ASP-  76 - HN    PHE   97  16.71 +/- 1.67   0.806% *  0.3141% (0.84   0.02   0.02) =   0.006%
          HB2   GLU-  29 - HN    PHE   97  19.41 +/- 2.47   0.622% *  0.3011% (0.80   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    PHE   97  16.33 +/- 1.53   0.872% *  0.0580% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.06, residual support = 43.9:
          HB3   MET   96 - HN    PHE   97   4.10 +/- 0.50  85.816% * 91.3840% (0.15   6.07  44.01) =  99.761%  kept
          HB3   PRO   58 - HN    PHE   97  16.63 +/- 3.46   3.247% *  1.9122% (0.98   0.02   0.02) =   0.079%
          HB3   GLN   30 - HN    PHE   97  14.35 +/- 2.21   2.941% *  1.4166% (0.73   0.02   0.02) =   0.053%
          HB2   MET   92 - HN    PHE   97  14.92 +/- 1.22   2.005% *  1.6922% (0.87   0.02   0.02) =   0.043%
          HB    ILE   56 - HN    PHE   97  14.88 +/- 2.37   2.899% *  0.7321% (0.38   0.02   0.02) =   0.027%
          HB3   LYS+  38 - HN    PHE   97  16.68 +/- 1.54   1.524% *  1.0263% (0.53   0.02   0.02) =   0.020%
          HB3   GLU-  14 - HN    PHE   97  22.60 +/- 3.58   0.985% *  0.7321% (0.38   0.02   0.02) =   0.009%
          HG3   MET   11 - HN    PHE   97  27.92 +/- 5.33   0.583% *  1.1044% (0.57   0.02   0.02) =   0.008%
    Distance limit 4.39 A violated in 0 structures by 0.06 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.627, support = 1.82, residual support = 2.17:
          QG2   ILE  103 - HN    PHE   97   3.31 +/- 0.57  70.083% * 57.5405% (0.61   1.94   2.30) =  86.323%  kept
          QD2   LEU   40 - HN    PHE   97   6.40 +/- 1.01  15.711% * 40.1058% (0.76   1.07   1.40) =  13.489%  kept
          QD1   LEU   67 - HN    PHE   97  10.28 +/- 2.84   6.975% *  0.7097% (0.73   0.02   0.02) =   0.106%  kept
          HB    VAL   75 - HN    PHE   97  11.06 +/- 1.65   2.728% *  0.9245% (0.95   0.02   0.02) =   0.054%
          QD1   ILE  119 - HN    PHE   97  11.14 +/- 2.56   3.520% *  0.2437% (0.25   0.02   0.72) =   0.018%
          HG3   LYS+  74 - HN    PHE   97  15.41 +/- 2.18   0.982% *  0.4757% (0.49   0.02   0.02) =   0.010%
    Distance limit 4.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.98, residual support = 11.9:
          HB3   PHE   95 - HN    MET   96   3.66 +/- 0.23  89.334% * 95.7068% (0.24   3.99  11.96) =  99.878%  kept
          HB3   TRP   87 - HN    MET   96   9.96 +/- 2.42   6.697% *  1.0895% (0.54   0.02   0.02) =   0.085%
          HG3   GLN  116 - HN    MET   96  14.94 +/- 2.15   1.582% *  0.9367% (0.46   0.02   0.02) =   0.017%
          HG2   GLU-  25 - HN    MET   96  21.15 +/- 1.75   0.499% *  1.8862% (0.93   0.02   0.02) =   0.011%
          HG2   GLN  116 - HN    MET   96  14.24 +/- 2.03   1.888% *  0.3808% (0.19   0.02   0.02) =   0.008%
    Distance limit 4.15 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 = 0.944, support = 4.03, residual support = 115.4:
      O   HB2   MET   96 - HN    MET   96   2.78 +/- 0.34  86.657% * 99.6054% (0.94  10.0   4.03 115.41) =  99.992%  kept
          HB    VAL   70 - HN    MET   96   9.96 +/- 1.60   3.629% *  0.0725% (0.69   1.0   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HN    MET   96   7.89 +/- 0.87   4.956% *  0.0448% (0.42   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    MET   96  12.96 +/- 1.59   1.229% *  0.0686% (0.65   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    MET   96  16.57 +/- 4.58   1.232% *  0.0646% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.32 +/- 0.75   0.615% *  0.0763% (0.72   1.0   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    MET   96  12.01 +/- 1.44   1.432% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  20.33 +/- 1.75   0.251% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.4:
      O   HB3   MET   96 - HN    MET   96   2.86 +/- 0.43  91.389% * 99.5022% (0.57  10.0   3.97 115.41) =  99.992%  kept
          HB2   LEU   40 - HN    MET   96  11.24 +/- 1.16   2.253% *  0.1552% (0.89   1.0   0.02   0.02) =   0.004%
          HB2   LEU   67 - HN    MET   96  11.84 +/- 2.23   3.477% *  0.0456% (0.26   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    MET   96  15.98 +/- 5.58   1.770% *  0.0863% (0.50   1.0   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HN    MET   96  16.89 +/- 2.04   0.675% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  21.79 +/- 3.54   0.277% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  26.94 +/- 5.09   0.159% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.22, support = 1.39, residual support = 14.3:
          HB    VAL   43 - HN    MET   96   4.60 +/- 0.91  52.890% * 60.3004% (0.19   1.50  15.58) =  91.474%  kept
          HG2   PRO   93 - HN    MET   96  10.49 +/- 1.27   8.056% * 22.9258% (0.46   0.23   0.02) =   5.297%  kept
          QB    LYS+  65 - HN    MET   96  11.60 +/- 3.07  13.977% *  3.3935% (0.79   0.02   0.02) =   1.360%  kept
          HB2   LEU   71 - HN    MET   96  11.92 +/- 2.69  12.156% *  3.5241% (0.82   0.02   0.02) =   1.229%  kept
          QB    LYS+ 102 - HN    MET   96  12.14 +/- 0.55   2.733% *  2.9501% (0.69   0.02   0.02) =   0.231%  kept
          HB3   GLN   17 - HN    MET   96  18.49 +/- 4.48   1.298% *  3.7504% (0.87   0.02   0.02) =   0.140%  kept
          QB    LYS+  66 - HN    MET   96  12.20 +/- 2.62   4.435% *  1.0130% (0.24   0.02   0.02) =   0.129%  kept
          HB2   LYS+  99 - HN    MET   96  11.44 +/- 0.72   3.352% *  1.1296% (0.26   0.02   0.02) =   0.109%  kept
          QD    LYS+  81 - HN    MET   96  16.88 +/- 1.47   1.104% *  1.0130% (0.24   0.02   0.02) =   0.032%
    Distance limit 4.03 A violated in 0 structures by 0.32 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.84, support = 1.8, residual support = 3.5:
          QG2   THR   94 - HN    MET   96   4.30 +/- 0.40  75.113% * 87.6727% (0.85   1.81   3.50) =  98.665%  kept
          HG12  ILE   89 - HN    MET   96  10.35 +/- 2.21   8.196% *  9.0118% (0.21   0.75   4.56) =   1.107%  kept
          HB3   LEU   71 - HN    MET   96  12.45 +/- 2.58   6.757% *  1.0211% (0.89   0.02   0.02) =   0.103%  kept
          HD2   LYS+ 112 - HN    MET   96  13.50 +/- 2.97   4.535% *  1.0580% (0.93   0.02   0.02) =   0.072%
          HB3   LYS+ 112 - HN    MET   96  14.06 +/- 1.99   2.996% *  0.9363% (0.82   0.02   0.02) =   0.042%
          HG3   LYS+ 111 - HN    MET   96  14.52 +/- 2.13   2.403% *  0.3001% (0.26   0.02   0.02) =   0.011%
    Distance limit 4.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.772, support = 2.74, residual support = 14.2:
          QG1   VAL   43 - HN    MET   96   4.45 +/- 1.04  51.161% * 79.1631% (0.76   2.96  15.58) =  91.162%  kept
          QG2   THR   46 - HN    MET   96   8.01 +/- 1.76  20.201% * 18.7205% (0.94   0.56   0.12) =   8.512%  kept
          QD2   LEU  104 - HN    MET   96   9.32 +/- 1.39  10.863% *  0.4855% (0.69   0.02   0.02) =   0.119%  kept
          QG2   VAL   18 - HN    MET   96  13.11 +/- 4.36   5.691% *  0.6453% (0.91   0.02   0.02) =   0.083%
          QG1   VAL   41 - HN    MET   96   8.92 +/- 0.75   8.340% *  0.4056% (0.57   0.02   0.02) =   0.076%
          QD1   ILE   19 - HN    MET   96  13.67 +/- 3.02   3.744% *  0.5800% (0.82   0.02   0.02) =   0.049%
    Distance limit 4.71 A violated in 1 structures by 0.14 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.782, support = 0.636, residual support = 0.208:
          QD1   LEU   63 - HN    MET   96   7.44 +/- 2.70  16.833% * 33.4438% (0.85   0.73   0.28) =  42.343%  kept
          QD2   LEU   63 - HN    MET   96   7.86 +/- 2.86  15.777% * 19.7648% (0.79   0.46   0.28) =  23.454%  kept
          QD1   LEU   73 - HN    MET   96   8.61 +/- 2.54  14.025% * 17.0646% (0.85   0.37   0.02) =  18.001%  kept
          QD2   LEU  115 - HN    MET   96   9.02 +/- 1.75   7.202% * 28.2765% (0.54   0.98   0.13) =  15.316%  kept
          QD1   LEU  104 - HN    MET   96   8.47 +/- 1.23  10.800% *  0.3149% (0.29   0.02   0.02) =   0.256%  kept
          QG2   VAL   41 - HN    MET   96   7.51 +/- 1.10  10.806% *  0.2837% (0.26   0.02   0.02) =   0.231%  kept
          QD2   LEU   98 - HN    MET   96   6.63 +/- 1.25  16.544% *  0.1574% (0.15   0.02   0.16) =   0.196%  kept
          QD2   LEU   80 - HN    MET   96  11.80 +/- 2.39   3.824% *  0.5368% (0.50   0.02   0.02) =   0.154%  kept
          QD1   LEU   80 - HN    MET   96  11.63 +/- 2.86   4.190% *  0.1574% (0.15   0.02   0.02) =   0.050%
    Distance limit 4.63 A violated in 0 structures by 0.38 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 = 0.655, support = 1.43, residual support = 3.67:
          QD1   ILE   89 - HN    MET   96   7.38 +/- 2.43  48.353% * 65.8024% (0.72   1.50   4.56) =  74.355%  kept
          QG2   VAL   83 - HN    MET   96   8.73 +/- 2.52  32.147% * 34.0422% (0.46   1.22   1.08) =  25.574%  kept
          QD2   LEU   31 - HN    MET   96  10.64 +/- 1.95  19.500% *  0.1554% (0.13   0.02   0.02) =   0.071%
    Distance limit 4.50 A violated in 11 structures by 2.11 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.71 +/- 0.32 100.000% *100.0000% (0.87  10.0   3.86  73.47) = 100.000%  kept
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.55 +/- 0.28  96.819% * 99.8580% (0.98  10.0   4.19  73.47) =  99.997%  kept
          HG2   GLN  116 - HN    PHE   95  12.40 +/- 1.69   2.829% *  0.0964% (0.95   1.0   0.02   0.75) =   0.003%
          HG2   GLU-  25 - HN    PHE   95  23.79 +/- 1.93   0.351% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 2.97, residual support = 39.0:
          HB    VAL  107 - HN    PHE   95   3.51 +/- 0.67  63.430% * 81.7603% (0.99   3.12  41.37) =  93.670%  kept
          QE    LYS+ 112 - HN    PHE   95   8.75 +/- 3.15  21.778% * 13.6906% (0.69   0.75   4.49) =   5.385%  kept
          HB3   PHE   45 - HN    PHE   95   6.84 +/- 1.21  13.388% *  3.8834% (0.69   0.21   1.89) =   0.939%  kept
          QG    GLU-  79 - HN    PHE   95  15.82 +/- 1.29   0.790% *  0.1983% (0.38   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    PHE   95  21.08 +/- 1.79   0.353% *  0.3628% (0.69   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    PHE   95  23.39 +/- 2.00   0.260% *  0.1045% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.814, support = 4.46, residual support = 17.2:
          QG2   THR   94 - HN    PHE   95   2.19 +/- 0.35  70.031% * 80.5293% (0.87   4.46  15.11) =  92.095%  kept
          QG2   VAL  107 - HN    PHE   95   3.56 +/- 0.93  26.157% * 18.4712% (0.20   4.48  41.37) =   7.890%  kept
          HD2   LYS+ 112 - HN    PHE   95  10.59 +/- 2.90   1.563% *  0.2026% (0.49   0.02   4.49) =   0.005%
          HB3   LYS+ 112 - HN    PHE   95  10.87 +/- 1.93   0.783% *  0.3733% (0.90   0.02   4.49) =   0.005%
          HG13  ILE  103 - HN    PHE   95  10.13 +/- 0.89   0.905% *  0.2525% (0.61   0.02   0.02) =   0.004%
          HB3   LEU   71 - HN    PHE   95  15.91 +/- 3.09   0.561% *  0.1711% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.4:
      O   HB    THR   94 - HN    THR   94   2.68 +/- 0.21  88.248% * 98.9931% (0.65  10.0   3.08  25.37) =  99.988%  kept
          HA    LYS+  65 - HN    THR   94  14.18 +/- 4.16   2.721% *  0.1413% (0.92   1.0   0.02   0.02) =   0.004%
          QB    SER   48 - HN    THR   94  11.16 +/- 0.93   1.371% *  0.1169% (0.76   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    THR   94  13.00 +/- 1.33   0.958% *  0.1477% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    THR   94  11.92 +/- 2.46   1.609% *  0.0522% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    THR   94  11.56 +/- 1.64   2.402% *  0.0268% (0.18   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    THR   94  14.25 +/- 1.46   0.696% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  18.33 +/- 1.78   0.305% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    THR   94  24.03 +/- 5.78   0.285% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  12.73 +/- 1.08   0.949% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.69 +/- 1.44   0.285% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.54 +/- 2.34   0.171% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 2.95, residual support = 27.1:
          HB2   PHE   45 - HN    THR   94   2.94 +/- 1.03  95.622% * 96.5413% (0.95   2.96  27.09) =  99.899%  kept
          QE    LYS+ 111 - HN    THR   94  11.34 +/- 2.53   2.854% *  3.0679% (1.00   0.09   0.02) =   0.095%
          HB2   CYS   21 - HN    THR   94  17.63 +/- 4.53   1.525% *  0.3908% (0.57   0.02   0.02) =   0.006%
    Distance limit 4.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.548, support = 1.38, residual support = 23.5:
          HB3   PHE   45 - HN    THR   94   3.64 +/- 0.89  52.051% * 57.0817% (0.57   1.50  27.09) =  86.649%  kept
          QE    LYS+ 112 - HN    THR   94   9.09 +/- 3.69  19.315% * 13.7750% (0.57   0.36   0.02) =   7.759%  kept
          HB    VAL  107 - HN    THR   94   7.46 +/- 0.70   8.414% * 14.8878% (0.20   1.12   0.02) =   3.653%  kept
          HG3   MET   96 - HN    THR   94   8.97 +/- 0.79   4.893% * 10.4853% (0.28   0.56   3.50) =   1.496%  kept
          HB3   ASP-  62 - HN    THR   94  12.76 +/- 3.51  12.355% *  0.9234% (0.69   0.02   0.02) =   0.333%  kept
          HB3   ASP-  86 - HN    THR   94  12.63 +/- 1.84   2.552% *  1.3324% (0.99   0.02   0.02) =   0.099%
          HG2   GLU-  29 - HN    THR   94  23.46 +/- 2.25   0.250% *  1.3324% (0.99   0.02   0.02) =   0.010%
          HG2   GLU-  36 - HN    THR   94  26.01 +/- 1.91   0.172% *  0.1819% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.38, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.94 +/- 0.26  73.922% * 99.5171% (0.98  10.0   4.38  15.61) =  99.980%  kept
          HB    VAL  108 - HN    THR   94   8.83 +/- 1.72  11.228% *  0.0697% (0.69   1.0   0.02   0.02) =   0.011%
          HG3   PRO   52 - HN    THR   94  12.50 +/- 3.74   5.897% *  0.0417% (0.41   1.0   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    THR   94  14.21 +/- 1.86   1.932% *  0.0776% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    THR   94  14.56 +/- 2.12   1.920% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    THR   94  14.13 +/- 2.21   2.094% *  0.0417% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.64 +/- 2.19   0.935% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    THR   94  18.29 +/- 2.91   0.931% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  25.30 +/- 3.95   0.368% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  21.56 +/- 0.91   0.463% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  30.16 +/- 5.29   0.310% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.888, support = 2.81, residual support = 15.3:
      O   HB3   PRO   93 - HN    THR   94   3.68 +/- 0.28  48.113% * 94.9347% (0.90  10.0   2.83  15.61) =  98.015%  kept
          HB3   ASP-  44 - HN    THR   94   5.44 +/- 1.09  21.376% *  4.2325% (0.49   1.0   1.64   0.02) =   1.941%  kept
          HG3   LYS+  65 - HN    THR   94  14.92 +/- 4.73   8.244% *  0.0599% (0.57   1.0   0.02   0.02) =   0.011%
          QB    ALA   84 - HN    THR   94   8.92 +/- 1.24   4.104% *  0.0918% (0.87   1.0   0.02   0.02) =   0.008%
          HB3   LEU   73 - HN    THR   94  11.45 +/- 2.74   4.071% *  0.0685% (0.65   1.0   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    THR   94  10.36 +/- 1.75   2.759% *  0.0918% (0.87   1.0   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - HN    THR   94  11.51 +/- 2.25   2.349% *  0.0809% (0.76   1.0   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    THR   94  11.15 +/- 1.11   2.035% *  0.0599% (0.57   1.0   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    THR   94  11.66 +/- 2.90   2.578% *  0.0397% (0.38   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    THR   94  13.58 +/- 1.70   1.126% *  0.0809% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   94  12.25 +/- 1.94   1.651% *  0.0294% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    THR   94  19.94 +/- 1.18   0.313% *  0.0727% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.52 +/- 1.89   0.321% *  0.0685% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.28 +/- 1.94   0.273% *  0.0515% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.87 +/- 2.51   0.421% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  23.15 +/- 3.47   0.266% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.375, support = 3.37, residual support = 23.6:
          QG2   THR   94 - HN    THR   94   3.70 +/- 0.44  68.771% * 57.9118% (0.34   3.62  25.37) =  91.572%  kept
          HG12  ILE   89 - HN    THR   94   7.71 +/- 1.19   9.791% * 26.8613% (0.76   0.75   5.28) =   6.047%  kept
          HD2   LYS+ 112 - HN    THR   94  11.03 +/- 3.72   8.369% *  9.5663% (0.73   0.28   0.02) =   1.841%  kept
          HG3   LYS+ 111 - HN    THR   94  11.80 +/- 2.55   4.580% *  3.4797% (0.84   0.09   0.02) =   0.366%  kept
          HB3   LYS+ 112 - HN    THR   94  11.69 +/- 2.33   3.886% *  1.2858% (0.31   0.09   0.02) =   0.115%  kept
          HB3   LEU   71 - HN    THR   94  16.46 +/- 2.96   3.164% *  0.7505% (0.80   0.02   0.02) =   0.055%
          HG    LEU   71 - HN    THR   94  16.92 +/- 2.84   1.438% *  0.1446% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.896, support = 0.749, residual support = 5.27:
          QG2   ILE   89 - HN    THR   94   5.13 +/- 1.00  82.377% * 99.1801% (0.90   0.75   5.28) =  99.823%  kept
          QG1   VAL   83 - HN    THR   94  10.00 +/- 1.15  17.623% *  0.8199% (0.28   0.02   0.02) =   0.177%  kept
    Distance limit 4.59 A violated in 3 structures by 0.62 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.297, support = 3.32, residual support = 49.2:
          HG3   MET   92 - HN    MET   92   3.66 +/- 0.61  76.350% * 40.3592% (0.14   4.04  63.17) =  77.846%  kept
          QG    GLN   90 - HN    MET   92   6.69 +/- 0.98  16.761% * 51.7948% (0.87   0.81   0.17) =  21.932%  kept
          HB2   ASP-  44 - HN    MET   92  11.33 +/- 2.04   3.642% *  1.4460% (0.98   0.02   0.02) =   0.133%  kept
          HB3   PHE   72 - HN    MET   92  17.88 +/- 1.86   0.832% *  1.3618% (0.92   0.02   0.02) =   0.029%
          QG    GLU-  15 - HN    MET   92  26.60 +/- 5.45   0.605% *  1.4752% (1.00   0.02   0.02) =   0.023%
          HG12  ILE  119 - HN    MET   92  17.57 +/- 2.17   1.025% *  0.7761% (0.53   0.02   0.02) =   0.020%
          QG    GLU-  14 - HN    MET   92  26.50 +/- 4.37   0.283% *  1.4237% (0.97   0.02   0.02) =   0.010%
          QB    MET   11 - HN    MET   92  30.43 +/- 4.87   0.202% *  1.0712% (0.73   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HN    MET   92  25.55 +/- 4.41   0.300% *  0.2919% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.996, support = 3.93, residual support = 63.0:
      O   HB2   MET   92 - HN    MET   92   2.65 +/- 0.53  85.371% * 97.6076% (1.00  10.0   3.94  63.17) =  99.766%  kept
          HB3   GLN   90 - HN    MET   92   6.96 +/- 0.95   9.871% *  1.9571% (0.18   1.0   2.28   0.17) =   0.231%  kept
          HB    ILE   56 - HN    MET   92  15.28 +/- 3.58   0.782% *  0.0633% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  19.24 +/- 3.56   0.380% *  0.0944% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  21.68 +/- 3.81   0.387% *  0.0925% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  12.61 +/- 2.09   1.484% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  12.16 +/- 0.90   1.194% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  28.42 +/- 2.30   0.108% *  0.0783% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.12 +/- 3.05   0.216% *  0.0132% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  34.47 +/- 5.90   0.093% *  0.0302% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.68 +/- 4.94   0.116% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.563, support = 4.29, residual support = 62.7:
      O   HB3   MET   92 - HN    MET   92   3.54 +/- 0.23  67.609% * 94.2150% (0.57  10.0   4.30  63.17) =  99.180%  kept
          HG3   PRO   93 - HN    MET   92   6.78 +/- 0.20  10.260% *  4.9733% (0.20   1.0   3.02   1.94) =   0.794%  kept
          HB    ILE   89 - HN    MET   92   7.50 +/- 1.44  11.722% *  0.0415% (0.25   1.0   0.02   0.02) =   0.008%
          QG1   ILE   56 - HN    MET   92  12.55 +/- 2.85   2.857% *  0.1272% (0.76   1.0   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HN    MET   92  12.54 +/- 1.70   1.846% *  0.1492% (0.90   1.0   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    MET   92  14.15 +/- 4.07   3.176% *  0.0746% (0.45   1.0   0.02   0.02) =   0.004%
          HB2   LEU   73 - HN    MET   92  16.12 +/- 3.62   1.599% *  0.1208% (0.73   1.0   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    MET   92  21.82 +/- 1.46   0.316% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  22.38 +/- 1.77   0.305% *  0.1077% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    MET   92  24.23 +/- 2.91   0.309% *  0.0370% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 3.66, residual support = 14.6:
          QB    ALA   91 - HN    MET   92   2.65 +/- 0.74  92.104% * 96.7982% (1.00   3.66  14.64) =  99.969%  kept
          QG2   ILE   56 - HN    MET   92  12.29 +/- 3.02   3.258% *  0.3639% (0.69   0.02   0.02) =   0.013%
          HG2   LYS+  74 - HN    MET   92  13.98 +/- 2.31   1.644% *  0.3427% (0.65   0.02   0.02) =   0.006%
          HG13  ILE   19 - HN    MET   92  23.56 +/- 5.70   0.701% *  0.4595% (0.87   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    MET   92  20.77 +/- 2.11   0.363% *  0.5285% (1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    MET   92  22.02 +/- 3.61   0.485% *  0.3213% (0.61   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    MET   92  19.49 +/- 2.47   0.487% *  0.2578% (0.49   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  24.43 +/- 1.94   0.215% *  0.3639% (0.69   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  18.65 +/- 3.32   0.616% *  0.1048% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  29.49 +/- 2.43   0.128% *  0.4595% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 2.48, residual support = 7.71:
          HA    ILE   89 - HN    ALA   91   3.86 +/- 0.77  74.765% * 96.1936% (0.61   2.48   7.72) =  99.952%  kept
          HB    THR  118 - HN    ALA   91  18.67 +/- 1.46   0.779% *  1.2076% (0.95   0.02   0.02) =   0.013%
          HB3   SER   82 - HN    ALA   91  13.77 +/- 1.32   2.761% *  0.2236% (0.18   0.02   0.02) =   0.009%
          QB    SER   13 - HN    TRP   27  15.01 +/- 4.10   8.501% *  0.0648% (0.05   0.02   0.02) =   0.008%
          HB    THR  118 - HN    TRP   27  21.07 +/- 5.12   1.691% *  0.1492% (0.12   0.02   0.02) =   0.004%
          HB3   SER   37 - HN    ALA   91  27.61 +/- 1.26   0.252% *  0.7743% (0.61   0.02   0.02) =   0.003%
          HB    THR   39 - HN    ALA   91  25.16 +/- 1.83   0.322% *  0.5723% (0.45   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    TRP   27  14.74 +/- 1.49   1.892% *  0.0957% (0.07   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    TRP   27  16.93 +/- 9.79   5.927% *  0.0276% (0.02   0.02   0.02) =   0.002%
          HB    THR   39 - HN    TRP   27  14.84 +/- 2.11   2.057% *  0.0707% (0.06   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   91  28.41 +/- 3.33   0.254% *  0.5248% (0.41   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    TRP   27  20.08 +/- 4.28   0.798% *  0.0957% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.07 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 = 0.708, support = 4.89, residual support = 31.3:
          HB2   GLN   90 - HN    ALA   91   3.85 +/- 0.81  44.223% * 91.7325% (0.73   4.95  32.14) =  97.251%  kept
          HB2   GLU-  25 - HN    TRP   27   5.02 +/- 0.27  22.885% *  2.5044% (0.02   4.02   0.49) =   1.374%  kept
          HG3   GLU-  29 - HN    TRP   27   6.08 +/- 0.71  14.868% *  3.1897% (0.11   1.13   0.02) =   1.137%  kept
          HB3   GLU-  29 - HN    TRP   27   6.68 +/- 0.54  10.396% *  0.9029% (0.07   0.54   0.02) =   0.225%  kept
          HB3   GLU-  79 - HN    ALA   91  13.29 +/- 0.98   1.351% *  0.1009% (0.20   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ALA   91  26.36 +/- 4.73   0.253% *  0.4573% (0.90   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HN    ALA   91  26.53 +/- 4.21   0.214% *  0.2683% (0.53   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ALA   91  29.56 +/- 1.64   0.118% *  0.4823% (0.95   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  24.27 +/- 4.78   0.444% *  0.1009% (0.20   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  14.72 +/- 7.59   2.978% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  17.71 +/- 1.38   0.566% *  0.0596% (0.12   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    ALA   91  27.03 +/- 1.78   0.158% *  0.1271% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  22.49 +/- 5.31   0.403% *  0.0458% (0.09   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.83 +/- 1.09   1.143% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.974, support = 4.9, residual support = 31.8:
          HB3   GLN   90 - HN    ALA   91   3.47 +/- 0.91  47.222% * 89.4180% (0.99   4.95  32.14) =  97.962%  kept
          HB2   MET   92 - HN    ALA   91   5.69 +/- 1.21  11.971% *  7.0724% (0.15   2.52  14.64) =   1.964%  kept
          QB    LYS+  81 - HN    ALA   91  10.46 +/- 1.38   2.505% *  0.3515% (0.97   0.02   0.02) =   0.020%
          QB    LYS+ 106 - HN    ALA   91  13.09 +/- 1.51   1.533% *  0.3445% (0.95   0.02   0.02) =   0.012%
          HG2   ARG+  54 - HN    ALA   91  17.87 +/- 3.16   0.717% *  0.3515% (0.97   0.02   0.02) =   0.006%
          HB    ILE  103 - HN    ALA   91  18.31 +/- 2.36   0.581% *  0.3445% (0.95   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    TRP   27   5.62 +/- 0.96  17.839% *  0.0112% (0.03   0.02   0.02) =   0.005%
          QB    LYS+  33 - HN    TRP   27   9.45 +/- 1.02   3.420% *  0.0450% (0.12   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    ALA   91  19.33 +/- 1.45   0.414% *  0.3570% (0.98   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    ALA   91  17.68 +/- 3.02   0.630% *  0.2062% (0.57   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    TRP   27  18.07 +/- 4.46   2.575% *  0.0415% (0.11   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ALA   91  24.26 +/- 4.06   0.277% *  0.3362% (0.92   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    ALA   91  15.21 +/- 4.20   0.913% *  0.0908% (0.25   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ALA   91  24.16 +/- 2.52   0.217% *  0.3642% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    TRP   27  16.53 +/- 7.48   1.778% *  0.0434% (0.12   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    TRP   27  19.33 +/- 4.47   0.915% *  0.0441% (0.12   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  21.83 +/- 3.71   0.329% *  0.0908% (0.25   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    TRP   27  18.94 +/- 3.92   0.630% *  0.0426% (0.12   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    TRP   27  18.05 +/- 2.56   0.533% *  0.0426% (0.12   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    TRP   27  24.61 +/- 7.76   1.828% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  25.83 +/- 2.98   0.215% *  0.0908% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  22.13 +/- 5.43   0.431% *  0.0446% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  23.89 +/- 5.13   0.409% *  0.0434% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  28.70 +/- 1.77   0.118% *  0.1497% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  17.70 +/- 1.89   0.622% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  21.99 +/- 3.95   0.375% *  0.0255% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  22.14 +/- 3.86   0.746% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  24.70 +/- 3.98   0.256% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.14 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.61, residual support = 14.4:
      O   QB    ALA   91 - HN    ALA   91   2.37 +/- 0.20  75.425% * 99.2924% (0.92  10.0   3.61  14.40) =  99.996%  kept
          QG2   THR   23 - HN    TRP   27   4.75 +/- 0.98  16.358% *  0.0055% (0.05   1.0   0.02   1.13) =   0.001%
          QG2   ILE   56 - HN    ALA   91  14.30 +/- 2.61   0.538% *  0.0993% (0.92   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ALA   91  14.34 +/- 1.84   0.404% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.20 +/- 0.54   1.392% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27   9.88 +/- 1.57   1.499% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.66 +/- 1.95   0.146% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.05 +/- 1.81   0.115% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  24.20 +/- 5.73   0.148% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  18.50 +/- 3.55   0.212% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.52 +/- 1.75   0.654% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  17.85 +/- 4.79   0.943% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  17.87 +/- 3.87   0.370% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.71 +/- 1.99   0.041% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.62 +/- 3.06   0.111% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  13.46 +/- 3.89   0.707% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  24.94 +/- 1.94   0.070% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.70 +/- 3.41   0.244% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.18 +/- 1.86   0.213% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.62 +/- 2.44   0.410% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.392, support = 0.02, residual support = 0.02:
          HB3   TRP   87 - HE22  GLN   90  10.83 +/- 1.54  38.181% * 18.6359% (0.49   0.02   0.02) =  56.767%  kept
          HG2   GLU-  36 - HE22  GLN   32  10.98 +/- 1.57  37.318% *  7.7282% (0.20   0.02   0.02) =  23.009%  kept
          HG3   MET   96 - HE22  GLN   90  18.83 +/- 1.90   7.961% * 11.8170% (0.31   0.02   0.02) =   7.506%  kept
          HG3   GLN  116 - HE22  GLN   90  27.34 +/- 3.04   2.557% * 21.6759% (0.57   0.02   0.02) =   4.423%  kept
          HB3   TRP   87 - HE22  GLN   32  24.50 +/- 5.42   4.806% *  7.1499% (0.19   0.02   0.02) =   2.741%  kept
          HG3   MET   96 - HE22  GLN   32  21.45 +/- 3.27   5.431% *  4.5337% (0.12   0.02   0.02) =   1.964%  kept
          HG2   GLU-  36 - HE22  GLN   90  34.42 +/- 2.74   1.170% * 20.1433% (0.53   0.02   0.02) =   1.881%  kept
          HG3   GLN  116 - HE22  GLN   32  31.70 +/- 5.26   2.576% *  8.3162% (0.22   0.02   0.02) =   1.709%  kept
    Distance limit 5.50 A violated in 19 structures by 3.75 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.35, residual support = 159.8:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.01  98.777% * 99.2019% (0.18  10.0   5.35 159.83) =  99.996%  kept
          HA    LEU   71 - HN    LYS+ 102  15.41 +/- 2.09   0.873% *  0.2329% (0.41   1.0   0.02   0.02) =   0.002%
          HA    ALA   20 - HN    LYS+ 102  20.82 +/- 3.18   0.350% *  0.5652% (1.00   1.0   0.02   0.02) =   0.002%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.35 +/- 0.17  91.526% * 99.3899% (0.61  10.0   3.13  12.51) =  99.993%  kept
          HA    ALA   34 - HN    LYS+ 102  11.94 +/- 2.96   3.086% *  0.0674% (0.41   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    LYS+ 102  19.67 +/- 4.48   1.182% *  0.1624% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LYS+ 102  15.46 +/- 3.80   1.623% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+ 102  21.98 +/- 2.39   0.375% *  0.1252% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    LYS+ 102  20.30 +/- 4.09   0.598% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.90 +/- 3.36   0.324% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  19.29 +/- 2.55   0.589% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.62 +/- 4.10   0.697% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   2.97 +/- 0.55  97.797% * 99.6785% (0.28  10.0   3.13  12.51) =  99.996%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.30 +/- 4.21   1.608% *  0.1607% (0.45   1.0   0.02   0.02) =   0.003%
          HD2   PRO   93 - HN    LYS+ 102  22.93 +/- 2.75   0.595% *  0.1607% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.01, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.787, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  19.60 +/- 5.60  13.389% * 13.6482% (0.95   0.02   0.02) =  18.361%  kept
          HG2   PRO   68 - HN    LYS+ 102  18.52 +/- 3.26  14.185% *  9.9106% (0.69   0.02   0.02) =  14.125%  kept
          QB    GLU- 114 - HN    LYS+ 102  19.05 +/- 2.04  10.749% * 12.0512% (0.84   0.02   0.02) =  13.015%  kept
          HB    ILE   19 - HN    LYS+ 102  19.36 +/- 4.47  10.679% * 11.0262% (0.76   0.02   0.02) =  11.831%  kept
          HB2   GLN   17 - HN    LYS+ 102  21.59 +/- 5.45   7.375% * 13.6482% (0.95   0.02   0.02) =  10.113%  kept
          HB3   PRO   68 - HN    LYS+ 102  19.51 +/- 3.42  11.156% *  8.7509% (0.61   0.02   0.02) =   9.809%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.64 +/- 4.24   5.901% * 14.4279% (1.00   0.02   0.02) =   8.555%  kept
          HG3   GLN   30 - HN    LYS+ 102  15.64 +/- 4.45  21.678% *  3.5976% (0.25   0.02   0.02) =   7.836%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  24.31 +/- 2.22   4.888% * 12.9393% (0.90   0.02   0.02) =   6.355%  kept
    Distance limit 4.51 A violated in 20 structures by 6.83 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 4.82, residual support = 159.1:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.51 +/- 0.13  87.089% * 92.3258% (0.98  10.0   4.83 159.83) =  99.456%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.42 +/- 0.67   6.048% *  7.2006% (0.45   1.0   3.41  23.56) =   0.539%  kept
          HB    VAL   41 - HN    LYS+ 102   8.55 +/- 2.31   4.672% *  0.0571% (0.61   1.0   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    LYS+ 102  14.33 +/- 2.71   0.696% *  0.0845% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+ 102  22.43 +/- 2.90   0.273% *  0.0923% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  18.24 +/- 2.81   0.295% *  0.0754% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  19.17 +/- 1.91   0.214% *  0.0869% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  21.78 +/- 5.73   0.346% *  0.0354% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  22.84 +/- 5.12   0.200% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.28 +/- 4.41   0.168% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 4.06, residual support = 121.0:
          HG2   LYS+ 102 - HN    LYS+ 102   3.53 +/- 0.40  58.039% * 60.5785% (0.28   4.59 159.83) =  75.398%  kept
          QB    LEU   98 - HN    LYS+ 102   4.73 +/- 1.10  35.277% * 32.3925% (0.28   2.46   2.21) =  24.505%  kept
          QB    ALA   61 - HN    LYS+ 102  17.89 +/- 3.85   1.012% *  0.8510% (0.90   0.02   0.02) =   0.018%
          HD3   LYS+ 121 - HN    LYS+ 102  17.73 +/- 7.49   1.204% *  0.5372% (0.57   0.02   0.02) =   0.014%
          HG    LEU   80 - HN    LYS+ 102  20.69 +/- 5.52   0.617% *  0.9405% (0.99   0.02   0.02) =   0.012%
          HG12  ILE   19 - HN    LYS+ 102  19.01 +/- 4.15   0.484% *  0.9468% (1.00   0.02   0.02) =   0.010%
          HB3   LEU   67 - HN    LYS+ 102  17.38 +/- 2.81   0.620% *  0.7252% (0.76   0.02   0.02) =   0.010%
          QB    ALA  110 - HN    LYS+ 102  19.73 +/- 1.40   0.368% *  0.9468% (1.00   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    LYS+ 102  16.06 +/- 3.25   0.948% *  0.3561% (0.38   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    LYS+ 102  20.08 +/- 4.94   0.486% *  0.6890% (0.73   0.02   0.02) =   0.007%
          QG    LYS+  66 - HN    LYS+ 102  18.67 +/- 3.31   0.549% *  0.5372% (0.57   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    LYS+ 102  19.58 +/- 2.64   0.397% *  0.4992% (0.53   0.02   0.02) =   0.004%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.503, support = 1.8, residual support = 1.39:
          QD1   LEU   98 - HN    LYS+ 102   4.44 +/- 1.52  40.315% * 50.6568% (0.18   2.83   2.21) =  56.964%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.45 +/- 0.95  36.069% * 42.2008% (0.95   0.44   0.32) =  42.456%  kept
          QG1   VAL   41 - HN    LYS+ 102   6.89 +/- 1.87  17.344% *  0.6968% (0.34   0.02   0.02) =   0.337%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.14 +/- 2.34   3.486% *  1.0747% (0.53   0.02   0.02) =   0.104%  kept
          QD1   ILE   19 - HN    LYS+ 102  15.97 +/- 3.45   1.048% *  2.0381% (1.00   0.02   0.02) =   0.060%
          QG2   VAL   18 - HN    LYS+ 102  17.52 +/- 4.30   1.225% *  1.5610% (0.76   0.02   0.02) =   0.053%
          QG2   THR   46 - HN    LYS+ 102  17.61 +/- 1.59   0.513% *  1.7718% (0.87   0.02   0.02) =   0.025%
    Distance limit 4.28 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 = 6.38, residual support = 40.2:
      O   HA    ILE   89 - HN    GLN   90   2.71 +/- 0.54  97.191% * 99.5753% (0.61  10.0   6.38  40.19) =  99.998%  kept
          HB3   SER   82 - HN    GLN   90  12.23 +/- 1.32   1.988% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLN   90  19.56 +/- 1.46   0.340% *  0.1553% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   90  26.98 +/- 1.46   0.136% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  24.62 +/- 1.69   0.180% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  28.25 +/- 3.67   0.165% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.14 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 5.95, residual support = 93.6:
          QG    GLN   90 - HN    GLN   90   2.97 +/- 0.68  79.043% * 92.0604% (0.90   6.02  94.86) =  98.633%  kept
          HG3   MET   92 - HN    GLN   90   8.19 +/- 2.10  16.085% *  6.2027% (0.61   0.60   0.17) =   1.352%  kept
          HB2   ASP-  44 - HN    GLN   90  12.82 +/- 1.65   2.049% *  0.2475% (0.73   0.02   0.02) =   0.007%
          QG    GLU-  15 - HN    GLN   90  26.78 +/- 5.76   0.733% *  0.2067% (0.61   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    GLN   90  18.49 +/- 2.13   0.512% *  0.2846% (0.84   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    GLN   90  20.99 +/- 2.23   0.359% *  0.3378% (0.99   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    GLN   90  26.52 +/- 4.94   0.279% *  0.2604% (0.76   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLN   90  24.85 +/- 4.82   0.241% *  0.2475% (0.73   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLN   90  19.06 +/- 1.53   0.396% *  0.0850% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  30.73 +/- 5.19   0.303% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.922, support = 5.58, residual support = 94.6:
      O   HB3   GLN   90 - HN    GLN   90   3.15 +/- 0.53  75.150% * 97.9581% (0.92  10.0   5.59  94.86) =  99.733%  kept
          HB2   MET   92 - HN    GLN   90   7.45 +/- 2.06  15.808% *  1.1952% (0.38   1.0   0.60   0.17) =   0.256%  kept
          QB    LYS+  81 - HN    GLN   90   9.44 +/- 1.61   3.920% *  0.1024% (0.97   1.0   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    GLN   90  13.23 +/- 1.58   1.459% *  0.1040% (0.98   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    GLN   90  19.05 +/- 3.19   0.586% *  0.0920% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  19.37 +/- 3.20   0.617% *  0.0771% (0.73   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  17.78 +/- 2.52   0.633% *  0.0729% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   90  19.51 +/- 1.41   0.416% *  0.0811% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  23.60 +/- 2.69   0.235% *  0.0920% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  21.36 +/- 4.05   0.371% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  24.47 +/- 4.07   0.285% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  28.07 +/- 1.81   0.128% *  0.0771% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  22.71 +/- 3.74   0.392% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.25, residual support = 40.2:
          QG2   ILE   89 - HN    GLN   90   2.85 +/- 0.77 100.000% *100.0000% (0.65   7.25  40.19) = 100.000%  kept
    Distance limit 3.91 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 = 5.83, residual support = 40.2:
          QD1   ILE   89 - HN    GLN   90   4.62 +/- 0.44  66.426% * 99.5423% (0.49   5.83  40.19) =  99.914%  kept
          QG2   VAL   83 - HN    GLN   90   6.91 +/- 0.86  21.967% *  0.1748% (0.25   0.02   0.02) =   0.058%
          QG2   VAL   75 - HN    GLN   90   9.95 +/- 1.80   9.013% *  0.1748% (0.25   0.02   0.02) =   0.024%
          QG2   VAL   42 - HN    GLN   90  14.37 +/- 1.46   2.595% *  0.1082% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.45 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 = 9.09:
      O   HA    ALA   88 - HN    ILE   89   3.21 +/- 0.25  78.308% * 99.4024% (0.99  10.0   4.11   9.09) =  99.989%  kept
          QB    SER   85 - HN    ILE   89   6.06 +/- 0.54  12.270% *  0.0223% (0.22   1.0   0.02   0.02) =   0.004%
          HA    SER   48 - HN    ILE   89  13.97 +/- 3.55   2.571% *  0.0968% (0.97   1.0   0.02   0.02) =   0.003%
          HB2   SER   82 - HN    ILE   89  10.29 +/- 0.72   2.489% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  17.23 +/- 3.49   0.743% *  0.0870% (0.87   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    ILE   89  20.47 +/- 4.79   1.191% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  23.38 +/- 4.60   0.304% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  23.41 +/- 7.10   0.488% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  23.38 +/- 4.81   0.288% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  28.61 +/- 7.08   0.439% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  25.33 +/- 3.35   0.201% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  20.57 +/- 1.89   0.373% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  20.99 +/- 2.24   0.334% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 216.5:
      O   HA    ILE   89 - HN    ILE   89   2.69 +/- 0.22  98.801% * 99.5011% (0.34  10.0   6.00 216.48) =  99.999%  kept
          HB    THR  118 - HN    ILE   89  18.90 +/- 2.21   0.314% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  17.95 +/- 2.40   0.417% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  25.02 +/- 2.20   0.138% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  22.74 +/- 1.76   0.183% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  27.30 +/- 3.78   0.148% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 216.5:
      O   HB    ILE   89 - HN    ILE   89   2.71 +/- 0.65  94.101% * 99.6919% (0.45  10.0   5.57 216.48) =  99.993%  kept
          HB    VAL   43 - HN    ILE   89  10.36 +/- 1.75   3.327% *  0.1170% (0.53   1.0   0.02   0.02) =   0.004%
          QD    LYS+  81 - HN    ILE   89  10.30 +/- 1.24   2.223% *  0.0997% (0.45   1.0   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    ILE   89  20.25 +/- 2.19   0.349% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.75, residual support = 216.0:
          HG12  ILE   89 - HN    ILE   89   2.91 +/- 0.60  82.638% * 96.7911% (0.76   5.76 216.48) =  99.771%  kept
          QB    ALA   91 - HN    ILE   89   6.38 +/- 1.38  13.306% *  1.2854% (0.31   0.19   7.72) =   0.213%  kept
          HG2   LYS+  74 - HN    ILE   89  14.40 +/- 2.40   1.358% *  0.3812% (0.87   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HN    ILE   89  17.40 +/- 2.82   0.727% *  0.3018% (0.69   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    ILE   89  23.15 +/- 6.04   0.738% *  0.2843% (0.65   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    ILE   89  20.98 +/- 3.13   0.382% *  0.3941% (0.90   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ILE   89  22.03 +/- 2.38   0.254% *  0.3670% (0.84   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  19.03 +/- 1.99   0.432% *  0.1356% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   89  26.74 +/- 2.85   0.165% *  0.0595% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.08 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.51, residual support = 216.2:
          QG2   ILE   89 - HN    ILE   89   3.30 +/- 0.59  87.026% * 98.9073% (1.00   6.52 216.48) =  99.857%  kept
          QG1   VAL   83 - HN    ILE   89   7.01 +/- 0.54  11.766% *  1.0459% (0.53   0.13   0.02) =   0.143%  kept
          QD1   LEU  104 - HN    ILE   89  16.35 +/- 2.40   1.208% *  0.0468% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.52, residual support = 216.5:
          HG13  ILE   89 - HN    ILE   89   3.47 +/- 0.88 100.000% *100.0000% (0.90   5.52 216.48) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.16 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.0:
      O   HA    ALA   88 - HN    ALA   88   2.23 +/- 0.03  96.625% * 99.0917% (0.84  10.0   1.63  12.01) =  99.996%  kept
          HB2   SER   82 - HN    ALA   88   8.95 +/- 0.69   1.597% *  0.1303% (0.90   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ALA   88  15.76 +/- 3.91   0.787% *  0.1425% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ALA   88  24.52 +/- 7.48   0.172% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  19.21 +/- 3.81   0.236% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  23.17 +/- 5.56   0.141% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  23.32 +/- 5.83   0.130% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  25.30 +/- 4.21   0.085% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  21.51 +/- 1.86   0.121% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  22.84 +/- 2.70   0.106% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.725, support = 2.06, residual support = 12.0:
      O   QB    ALA   88 - HN    ALA   88   2.89 +/- 0.12  72.876% * 98.4118% (0.73  10.0   2.06  12.01) =  99.814%  kept
          QB    ALA   84 - HN    ALA   88   4.80 +/- 0.52  17.299% *  0.7363% (0.15   1.0   0.70   0.02) =   0.177%  kept
          QG2   THR   77 - HN    ALA   88   7.80 +/- 1.27   4.539% *  0.0462% (0.34   1.0   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    ALA   88   9.74 +/- 1.06   2.210% *  0.0931% (0.69   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HN    ALA   88  19.63 +/- 5.85   0.473% *  0.1132% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   88  13.82 +/- 1.62   0.876% *  0.0608% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   88  19.98 +/- 3.06   0.424% *  0.1215% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   88  22.10 +/- 2.38   0.184% *  0.1355% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  15.51 +/- 2.97   0.647% *  0.0302% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  20.64 +/- 2.73   0.246% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  25.94 +/- 3.22   0.125% *  0.1328% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  27.36 +/- 2.77   0.099% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.14, residual support = 74.4:
      O   HB2   TRP   87 - HN    TRP   87   3.70 +/- 0.06  95.575% * 99.8429% (0.73  10.0   4.14  74.42) =  99.997%  kept
          HB    THR   46 - HN    TRP   87  13.00 +/- 1.95   3.039% *  0.0469% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   PHE   60 - HN    TRP   87  18.37 +/- 3.10   1.021% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  25.50 +/- 3.48   0.364% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.96, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.72 +/- 0.29  93.807% * 97.4956% (0.80   3.96  22.70) =  99.981%  kept
          HB2   ASP-  78 - HN    TRP   87  12.62 +/- 1.46   2.128% *  0.3234% (0.53   0.02   0.02) =   0.008%
          HB2   ASN   28 - HN    TRP   87  19.49 +/- 6.63   0.584% *  0.6147% (1.00   0.02   0.02) =   0.004%
          QE    LYS+  65 - HN    TRP   87  20.80 +/- 4.57   0.426% *  0.5933% (0.97   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HN    TRP   87  11.82 +/- 1.88   2.548% *  0.0949% (0.15   0.02   0.02) =   0.003%
          QE    LYS+  33 - HN    TRP   87  21.54 +/- 3.95   0.246% *  0.6026% (0.98   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    TRP   87  23.14 +/- 4.86   0.261% *  0.2756% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 4.01, residual support = 74.4:
      O   HB3   TRP   87 - HN    TRP   87   2.87 +/- 0.25  99.388% * 99.8532% (1.00  10.0   4.01  74.42) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  21.86 +/- 6.75   0.414% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  24.19 +/- 2.73   0.199% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.528, support = 2.19, residual support = 5.03:
          QB    ALA   88 - HN    TRP   87   4.40 +/- 0.14  71.829% * 96.6322% (0.53   2.21   5.06) =  99.470%  kept
          QG2   THR   77 - HN    TRP   87   7.29 +/- 1.42  22.852% *  1.4934% (0.90   0.02   0.02) =   0.489%  kept
          QG2   THR   23 - HN    TRP   87  17.34 +/- 4.87   1.940% *  0.8761% (0.53   0.02   0.02) =   0.024%
          QB    ALA   34 - HN    TRP   87  16.26 +/- 3.35   2.036% *  0.3707% (0.22   0.02   0.02) =   0.011%
          HG2   LYS+  99 - HN    TRP   87  20.73 +/- 3.06   0.816% *  0.2569% (0.15   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HN    TRP   87  24.42 +/- 3.48   0.527% *  0.3707% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.846, support = 1.77, residual support = 17.2:
          QD1   ILE   89 - HN    TRP   87   4.64 +/- 0.76  39.641% * 67.0730% (0.76   2.37  17.05) =  59.043%  kept
          QG2   VAL   83 - HN    TRP   87   3.93 +/- 0.34  57.065% * 32.2842% (0.97   0.90  17.35) =  40.910%  kept
          QD2   LEU   31 - HN    TRP   87  13.71 +/- 5.12   3.295% *  0.6427% (0.87   0.02   1.70) =   0.047%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.493, support = 1.09, residual support = 17.3:
          QG2   VAL   83 - HE1   TRP   87   2.13 +/- 0.56  92.178% * 30.4187% (0.45   1.03  17.35) =  83.745%  kept
          QD1   ILE   89 - HE1   TRP   87   5.58 +/- 1.40   7.822% * 69.5813% (0.73   1.45  17.05) =  16.255%  kept
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.759, support = 3.23, residual support = 12.9:
          QB    SER   85 - HN    ASP-  86   3.01 +/- 0.18  68.100% * 82.6673% (0.76   3.33  13.44) =  96.363%  kept
          HA    ALA   88 - HN    ASP-  86   5.06 +/- 0.30  14.989% * 12.7521% (0.69   0.57   0.02) =   3.272%  kept
          HB2   SER   82 - HN    ASP-  86   5.59 +/- 0.62  11.940% *  1.6820% (0.15   0.34   0.02) =   0.344%  kept
          HA    SER   48 - HN    ASP-  86  16.62 +/- 3.21   0.676% *  0.2915% (0.45   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    ASP-  86  28.84 +/- 7.99   0.391% *  0.4968% (0.76   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ASP-  86  14.83 +/- 3.37   1.280% *  0.1447% (0.22   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    ASP-  86  21.88 +/- 4.06   0.321% *  0.5430% (0.84   0.02   0.02) =   0.003%
          HA    GLN   32 - HN    ASP-  86  21.84 +/- 6.66   0.359% *  0.4721% (0.73   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ASP-  86  11.46 +/- 1.50   1.582% *  0.1003% (0.15   0.02   0.02) =   0.003%
          HD2   PRO   52 - HN    ASP-  86  20.46 +/- 3.23   0.270% *  0.5830% (0.90   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    ASP-  86  28.31 +/- 2.64   0.093% *  0.2673% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.86 +/- 0.17  98.274% * 95.3192% (0.61   2.25  10.80) =  99.983%  kept
          HB2   CYS   53 - HN    ASP-  86  19.84 +/- 3.09   0.366% *  1.3481% (0.97   0.02   0.02) =   0.005%
          HA    GLN   30 - HN    ASP-  86  21.27 +/- 6.24   0.443% *  0.8473% (0.61   0.02   0.02) =   0.004%
          HA    GLU- 100 - HN    ASP-  86  20.41 +/- 4.05   0.427% *  0.7909% (0.57   0.02   0.02) =   0.004%
          HD3   PRO   52 - HN    ASP-  86  21.32 +/- 3.24   0.310% *  0.7350% (0.53   0.02   0.02) =   0.002%
          HD2   PRO   58 - HN    ASP-  86  24.56 +/- 3.00   0.180% *  0.9596% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.02, residual support = 42.5:
      O   HB2   ASP-  86 - HN    ASP-  86   2.33 +/- 0.20  97.080% * 99.6258% (0.98  10.0   5.02  42.50) =  99.999%  kept
          HB2   ASP-  78 - HN    ASP-  86  12.15 +/- 1.73   1.958% *  0.0283% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    ASP-  86  19.18 +/- 7.88   0.429% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  21.75 +/- 4.42   0.198% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  21.84 +/- 4.73   0.167% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  23.56 +/- 5.51   0.168% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.55, residual support = 42.5:
      O   HB3   ASP-  86 - HN    ASP-  86   3.16 +/- 0.49  96.493% * 99.2823% (0.41  10.0   3.55  42.50) =  99.993%  kept
          HG3   MET   96 - HN    ASP-  86  12.84 +/- 2.95   2.323% *  0.2394% (0.99   1.0   0.02   0.02) =   0.006%
          HB3   ASP-  62 - HN    ASP-  86  22.88 +/- 2.71   0.325% *  0.2017% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    ASP-  86  26.17 +/- 4.42   0.266% *  0.2095% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    ASP-  86  22.72 +/- 7.42   0.593% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.763, support = 3.15, residual support = 18.0:
      O   QB    SER   85 - HN    SER   85   2.23 +/- 0.23  82.234% * 97.8593% (0.76  10.0   3.15  18.02) =  99.876%  kept
          HB2   SER   82 - HN    SER   85   5.43 +/- 0.35   6.140% *  1.4818% (0.15   1.0   1.50   2.88) =   0.113%  kept
          HA    ALA   88 - HN    SER   85   4.92 +/- 0.68   8.159% *  0.0880% (0.69   1.0   0.02   0.02) =   0.009%
          QB    SER   48 - HN    SER   85  14.06 +/- 3.41   1.514% *  0.0285% (0.22   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   85  15.83 +/- 3.26   0.659% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  19.95 +/- 3.32   0.175% *  0.1148% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  22.20 +/- 4.03   0.155% *  0.1070% (0.84   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  11.76 +/- 1.29   0.680% *  0.0198% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  23.16 +/- 6.32   0.129% *  0.0930% (0.73   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  29.59 +/- 7.89   0.113% *  0.0979% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  28.94 +/- 2.60   0.043% *  0.0526% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.60 +/- 0.02  94.035% * 99.3529% (0.49  10.0   3.27  20.68) =  99.993%  kept
          HA    VAL   75 - HN    SER   85  11.89 +/- 1.78   3.168% *  0.1074% (0.53   1.0   0.02   0.02) =   0.004%
          HB2   TRP   49 - HN    SER   85  18.82 +/- 3.02   0.898% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    SER   85  19.22 +/- 3.05   0.897% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  25.17 +/- 2.36   0.307% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  24.47 +/- 2.63   0.359% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  24.32 +/- 2.49   0.337% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.997, support = 3.98, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.70 +/- 0.11  89.464% * 96.0221% (1.00   3.98  20.68) =  99.967%  kept
          HB3   LEU   80 - HN    SER   85   7.00 +/- 0.70   5.629% *  0.2543% (0.53   0.02   0.02) =   0.017%
          HB3   PRO   93 - HN    SER   85  15.26 +/- 1.73   0.646% *  0.4834% (1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    SER   85  17.05 +/- 3.37   0.475% *  0.4665% (0.97   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    SER   85  14.70 +/- 1.15   0.594% *  0.3694% (0.76   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    SER   85  16.72 +/- 3.02   0.461% *  0.2932% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   73 - HN    SER   85  16.01 +/- 2.18   0.521% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    SER   85  19.59 +/- 6.59   0.512% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  21.58 +/- 2.44   0.197% *  0.3127% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    SER   85  18.05 +/- 2.14   0.396% *  0.1492% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    SER   85  21.57 +/- 4.20   0.227% *  0.1987% (0.41   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   85  22.92 +/- 2.75   0.179% *  0.2353% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  28.63 +/- 2.70   0.084% *  0.4335% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  23.25 +/- 4.30   0.219% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  22.09 +/- 2.77   0.202% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  23.46 +/- 5.20   0.193% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 17.9:
      O   HA    ALA   84 - HN    ALA   84   2.74 +/- 0.04  95.551% * 99.3529% (0.49  10.0   3.89  17.90) =  99.995%  kept
          HA    VAL   75 - HN    ALA   84   9.54 +/- 1.70   2.990% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    ALA   84  17.72 +/- 2.61   0.465% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA   84  18.79 +/- 2.96   0.462% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  23.71 +/- 2.16   0.163% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  23.30 +/- 2.25   0.177% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  22.64 +/- 2.55   0.192% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.33, residual support = 41.1:
          HB    VAL   83 - HN    ALA   84   3.27 +/- 0.30  91.055% * 97.8478% (0.99   5.33  41.07) =  99.983%  kept
          QD    LYS+  65 - HN    ALA   84  18.97 +/- 4.38   1.029% *  0.3577% (0.97   0.02   0.02) =   0.004%
          HD2   LYS+  74 - HN    ALA   84  13.57 +/- 2.29   1.765% *  0.1524% (0.41   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    ALA   84  14.67 +/- 1.69   1.305% *  0.1950% (0.53   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HN    ALA   84  18.90 +/- 4.17   0.749% *  0.2692% (0.73   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    ALA   84  22.91 +/- 2.52   0.305% *  0.3674% (0.99   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    ALA   84  13.46 +/- 1.58   1.663% *  0.0649% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   84  24.76 +/- 2.48   0.246% *  0.3506% (0.95   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    ALA   84  18.37 +/- 3.41   0.805% *  0.0649% (0.18   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  21.58 +/- 3.87   0.495% *  0.0924% (0.25   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    ALA   84  28.81 +/- 2.73   0.162% *  0.1804% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.21 +/- 3.58   0.423% *  0.0572% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 17.9:
      O   QB    ALA   84 - HN    ALA   84   2.00 +/- 0.06  87.356% * 98.3257% (0.87  10.0   4.17  17.90) =  99.909%  kept
          HB3   LEU   80 - HN    ALA   84   4.52 +/- 0.69  10.151% *  0.7556% (0.28   1.0   0.48   0.02) =   0.089%
          HB3   PRO   93 - HN    ALA   84  13.95 +/- 1.44   0.296% *  0.1017% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  13.98 +/- 2.06   0.304% *  0.0733% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  16.23 +/- 3.00   0.216% *  0.0983% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  16.17 +/- 3.58   0.244% *  0.0866% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  12.84 +/- 1.16   0.357% *  0.0552% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.41 +/- 2.30   0.213% *  0.0642% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  21.47 +/- 4.19   0.103% *  0.0779% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  21.15 +/- 4.19   0.114% *  0.0642% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  21.67 +/- 2.63   0.082% *  0.0866% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  21.93 +/- 5.27   0.099% *  0.0552% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  18.34 +/- 6.34   0.243% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  19.68 +/- 2.37   0.107% *  0.0425% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.49 +/- 2.67   0.037% *  0.0733% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  24.94 +/- 5.07   0.079% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.694, support = 5.66, residual support = 39.8:
          QG1   VAL   83 - HN    ALA   84   4.09 +/- 0.43  59.977% * 93.3103% (0.69   5.83  41.07) =  97.009%  kept
          QD2   LEU   80 - HN    ALA   84   5.45 +/- 1.03  32.510% *  5.2287% (0.95   0.24   0.02) =   2.947%  kept
          QD1   LEU   73 - HN    ALA   84  11.71 +/- 2.30   3.391% *  0.2828% (0.61   0.02   0.02) =   0.017%
          QD2   LEU  115 - HN    ALA   84  17.00 +/- 2.76   1.576% *  0.4303% (0.92   0.02   0.02) =   0.012%
          QD1   LEU  104 - HN    ALA   84  17.44 +/- 2.80   1.087% *  0.4651% (1.00   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    ALA   84  16.15 +/- 3.03   1.458% *  0.2828% (0.61   0.02   0.02) =   0.007%
    Distance limit 4.01 A violated in 0 structures by 0.07 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.17, residual support = 40.2:
          QG2   VAL   83 - HN    ALA   84   2.91 +/- 0.65  73.906% * 88.6746% (0.76   6.32  41.07) =  97.076%  kept
          QD1   ILE   89 - HN    ALA   84   6.16 +/- 1.09  18.017% * 10.8772% (0.49   1.22  12.51) =   2.903%  kept
          QD2   LEU   31 - HN    ALA   84  13.64 +/- 5.41   2.706% *  0.3665% (1.00   0.02   0.02) =   0.015%
          QG2   VAL   43 - HN    ALA   84   8.67 +/- 1.92   5.372% *  0.0818% (0.22   0.02   0.02) =   0.007%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.754, support = 4.09, residual support = 19.0:
          HB2   SER   82 - HN    VAL   83   3.25 +/- 0.58  86.991% * 97.0049% (0.75   4.09  18.98) =  99.950%  kept
          HA    ALA   88 - HN    VAL   83   8.78 +/- 0.52   5.488% *  0.2685% (0.43   0.02   0.02) =   0.017%
          HA    VAL   18 - HN    VAL   83  22.01 +/- 9.05   1.802% *  0.4701% (0.75   0.02   0.02) =   0.010%
          HA    GLU-  29 - HN    VAL   83  20.03 +/- 8.14   1.125% *  0.4649% (0.74   0.02   0.02) =   0.006%
          HA    SER   48 - HN    VAL   83  15.85 +/- 2.81   1.364% *  0.3798% (0.60   0.02   0.02) =   0.006%
          HA    GLN   32 - HN    VAL   83  20.78 +/- 7.13   0.958% *  0.2495% (0.40   0.02   0.02) =   0.003%
          HA    LYS+  33 - HN    VAL   83  22.65 +/- 6.29   0.509% *  0.4253% (0.68   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    VAL   83  20.00 +/- 2.59   0.509% *  0.2877% (0.46   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    VAL   83  20.05 +/- 3.30   0.859% *  0.1618% (0.26   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   83  24.05 +/- 2.60   0.396% *  0.2877% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.7, residual support = 85.7:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.03  97.980% * 99.4506% (0.46  10.0   4.70  85.70) =  99.998%  kept
          HB2   CYS   53 - HN    VAL   83  19.13 +/- 3.25   0.444% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    VAL   83  19.56 +/- 7.34   0.636% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    VAL   83  20.36 +/- 4.84   0.437% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  21.00 +/- 3.35   0.322% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.90 +/- 3.01   0.180% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.77, residual support = 85.7:
      O   HB    VAL   83 - HN    VAL   83   2.16 +/- 0.33  97.240% * 99.4176% (0.75  10.0   4.77  85.70) =  99.999%  kept
          QD    LYS+  65 - HN    VAL   83  19.15 +/- 4.11   0.260% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  13.71 +/- 2.60   0.596% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  18.68 +/- 4.83   0.271% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.46 +/- 1.83   0.321% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  22.04 +/- 3.20   0.135% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.29 +/- 2.79   0.098% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  15.55 +/- 1.60   0.450% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  19.10 +/- 3.37   0.257% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  23.08 +/- 4.32   0.160% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  29.40 +/- 2.88   0.076% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  23.74 +/- 4.08   0.137% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.331, support = 0.02, residual support = 0.129:
          HB2   LEU   80 - HN    VAL   83   3.60 +/- 0.86  81.660% *  2.8578% (0.19   0.02   0.20) =  62.473%  kept
          HB3   LEU   73 - HN    VAL   83  13.83 +/- 2.94   2.998% *  9.9416% (0.65   0.02   0.02) =   7.980%  kept
          QB    LEU   98 - HN    VAL   83  13.93 +/- 3.61   3.322% *  7.8727% (0.52   0.02   0.02) =   7.002%  kept
          HB3   LYS+  74 - HN    VAL   83  13.76 +/- 2.24   3.462% *  4.7118% (0.31   0.02   0.02) =   4.367%  kept
          HB    VAL   42 - HN    VAL   83  16.44 +/- 3.00   1.242% * 10.5799% (0.70   0.02   0.02) =   3.518%  kept
          HG3   LYS+ 102 - HN    VAL   83  21.13 +/- 5.02   1.201% *  9.5730% (0.63   0.02   0.02) =   3.079%  kept
          HG3   LYS+ 106 - HN    VAL   83  16.93 +/- 3.45   1.386% *  7.4142% (0.49   0.02   0.02) =   2.750%  kept
          HG3   LYS+  65 - HN    VAL   83  21.31 +/- 3.98   0.912% * 10.5799% (0.70   0.02   0.02) =   2.582%  kept
          HG3   LYS+  33 - HN    VAL   83  20.84 +/- 6.45   0.722% * 11.0607% (0.73   0.02   0.02) =   2.138%  kept
          QB    ALA   12 - HN    VAL   83  24.28 +/- 5.45   0.548% * 10.5799% (0.70   0.02   0.02) =   1.553%  kept
          HB2   LYS+ 112 - HN    VAL   83  23.03 +/- 2.73   0.585% *  8.7588% (0.58   0.02   0.02) =   1.373%  kept
          HB3   PRO   93 - HN    VAL   83  15.57 +/- 1.57   1.580% *  1.7684% (0.12   0.02   0.02) =   0.748%  kept
          HD3   LYS+ 121 - HN    VAL   83  26.02 +/- 3.66   0.380% *  4.3014% (0.28   0.02   0.02) =   0.437%  kept
    Distance limit 3.85 A violated in 1 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 = 0.714, support = 5.08, residual support = 79.0:
          QG1   VAL   83 - HN    VAL   83   2.82 +/- 0.51  63.693% * 83.6563% (0.75   5.33  85.70) =  92.115%  kept
          QD2   LEU   80 - HN    VAL   83   4.23 +/- 0.99  31.263% * 14.3553% (0.31   2.21   0.20) =   7.759%  kept
          QG2   ILE   89 - HN    VAL   83   7.19 +/- 0.43   4.306% *  1.6649% (0.46   0.17   0.02) =   0.124%  kept
          QD1   LEU  104 - HN    VAL   83  17.32 +/- 3.33   0.417% *  0.2047% (0.49   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   83  17.93 +/- 2.84   0.322% *  0.1188% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.21, residual support = 85.1:
          QG2   VAL   83 - HN    VAL   83   3.31 +/- 0.33  82.963% * 94.1693% (0.74   5.25  85.70) =  99.279%  kept
          QD1   ILE   89 - HN    VAL   83   7.75 +/- 1.11   9.828% *  5.6087% (0.73   0.32   0.02) =   0.700%  kept
          QD2   LEU   31 - HN    VAL   83  12.83 +/- 6.35   7.209% *  0.2220% (0.46   0.02   0.02) =   0.020%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.29, residual support = 34.7:
      O   HB2   SER   82 - HN    SER   82   2.96 +/- 0.47  91.785% * 99.3063% (0.87  10.0   4.29  34.68) =  99.995%  kept
          HA    ALA   88 - HN    SER   82   9.86 +/- 0.77   3.145% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    SER   82  23.50 +/- 9.08   0.879% *  0.1057% (0.92   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  21.22 +/- 8.55   0.761% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   82  16.44 +/- 3.31   1.117% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    SER   82  24.17 +/- 6.46   0.334% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  21.93 +/- 2.29   0.344% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  25.74 +/- 3.22   0.292% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  22.32 +/- 7.31   0.582% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  20.91 +/- 3.83   0.500% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  24.36 +/- 3.99   0.260% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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   2.57 +/- 0.56  96.790% * 99.2682% (0.69  10.0   3.68  34.68) =  99.996%  kept
          HA    ILE   89 - HN    SER   82  11.53 +/- 0.60   1.573% *  0.1445% (1.00   1.0   0.02   0.02) =   0.002%
          QB    SER   13 - HN    SER   82  26.15 +/- 5.29   0.222% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  23.03 +/- 3.48   0.213% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  24.57 +/- 4.59   0.194% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  23.83 +/- 2.60   0.185% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  21.07 +/- 7.50   0.508% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  21.78 +/- 3.91   0.315% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.14, residual support = 19.9:
          QB    LYS+  81 - HN    SER   82   3.11 +/- 0.33  92.352% * 96.7591% (0.97   5.14  19.90) =  99.975%  kept
          HB3   GLN   90 - HN    SER   82  11.64 +/- 1.64   2.265% *  0.3599% (0.92   0.02   0.02) =   0.009%
          QB    LYS+ 106 - HN    SER   82  17.22 +/- 2.39   0.747% *  0.3822% (0.98   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    SER   82  18.85 +/- 7.59   1.120% *  0.2051% (0.53   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    SER   82  20.78 +/- 5.97   0.535% *  0.3382% (0.87   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    SER   82  19.70 +/- 3.83   0.562% *  0.2678% (0.69   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    SER   82  23.93 +/- 3.24   0.349% *  0.3382% (0.87   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    SER   82  16.37 +/- 2.11   0.773% *  0.1463% (0.38   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    SER   82  23.90 +/- 3.75   0.373% *  0.2831% (0.73   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    SER   82  22.64 +/- 2.29   0.302% *  0.2980% (0.76   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    SER   82  26.25 +/- 3.33   0.204% *  0.2831% (0.73   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    SER   82  24.83 +/- 2.53   0.208% *  0.2522% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  26.66 +/- 3.38   0.210% *  0.0868% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.14, residual support = 19.9:
          QG    LYS+  81 - HN    SER   82   3.73 +/- 1.08  98.216% * 98.7748% (0.25   5.14  19.90) =  99.990%  kept
          HG2   LYS+ 106 - HN    SER   82  19.15 +/- 3.25   1.222% *  0.4754% (0.31   0.02   0.02) =   0.006%
          HG3   ARG+  54 - HN    SER   82  24.60 +/- 3.93   0.562% *  0.7498% (0.49   0.02   0.02) =   0.004%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.887, support = 3.81, residual support = 14.8:
          QG1   VAL   83 - HN    SER   82   4.88 +/- 0.59  40.687% * 78.5802% (0.95   4.46  18.98) =  77.268%  kept
          QD2   LEU   80 - HN    SER   82   4.66 +/- 0.84  45.813% * 20.4872% (0.69   1.60   0.48) =  22.683%  kept
          QG2   ILE   89 - HN    SER   82   8.47 +/- 0.46   7.221% *  0.1271% (0.34   0.02   0.02) =   0.022%
          QD2   LEU  115 - HN    SER   82  19.30 +/- 3.33   1.481% *  0.2411% (0.65   0.02   0.02) =   0.009%
          QD1   LEU   73 - HN    SER   82  12.83 +/- 3.02   3.019% *  0.1150% (0.31   0.02   0.02) =   0.008%
          QD1   LEU  104 - HN    SER   82  19.19 +/- 3.06   0.836% *  0.3342% (0.90   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    SER   82  18.00 +/- 3.21   0.941% *  0.1150% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 110.6:
      O   QB    LYS+  81 - HN    LYS+  81   2.26 +/- 0.20  97.013% * 99.1460% (0.97  10.0   5.75 110.64) =  99.998%  kept
          HB3   GLN   90 - HN    LYS+  81  11.45 +/- 1.68   0.868% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  81  17.75 +/- 2.06   0.267% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  18.92 +/- 7.03   0.375% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  22.94 +/- 3.64   0.211% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  21.05 +/- 5.42   0.193% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  15.78 +/- 2.13   0.358% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  22.37 +/- 4.26   0.179% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  20.82 +/- 3.33   0.173% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  23.05 +/- 2.00   0.111% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  24.27 +/- 2.92   0.090% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  26.77 +/- 2.65   0.068% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.60 +/- 3.63   0.093% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 110.6:
          QG    LYS+  81 - HN    LYS+  81   2.59 +/- 0.49  97.534% * 98.9440% (0.97   5.76 110.64) =  99.996%  kept
          HD3   LYS+  74 - HN    LYS+  81  13.87 +/- 2.59   1.288% *  0.1215% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+ 106 - HN    LYS+  81  19.83 +/- 2.89   0.340% *  0.3289% (0.92   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    LYS+  81  22.82 +/- 6.05   0.296% *  0.3370% (0.95   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  23.32 +/- 3.81   0.220% *  0.1100% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  23.05 +/- 2.94   0.203% *  0.0793% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  27.25 +/- 2.74   0.119% *  0.0793% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.443, support = 5.79, residual support = 39.5:
          QD2   LEU   80 - HN    LYS+  81   4.33 +/- 0.71  42.529% * 77.8867% (0.53   5.95  39.52) =  77.770%  kept
          QD1   LEU   80 - HN    LYS+  81   4.23 +/- 1.16  46.817% * 20.1560% (0.15   5.25  39.52) =  22.155%  kept
          QD1   LEU   73 - HN    LYS+  81  12.54 +/- 2.65   3.149% *  0.4460% (0.90   0.02   0.02) =   0.033%
          QD1   LEU   63 - HN    LYS+  81  17.49 +/- 3.18   1.144% *  0.4460% (0.90   0.02   0.02) =   0.012%
          QD2   LEU  115 - HN    LYS+  81  18.72 +/- 3.47   1.758% *  0.2815% (0.57   0.02   0.02) =   0.012%
          QD2   LEU   63 - HN    LYS+  81  17.72 +/- 2.52   0.870% *  0.4153% (0.84   0.02   0.02) =   0.008%
          QG2   VAL   41 - HN    LYS+  81  14.98 +/- 2.51   1.503% *  0.1383% (0.28   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    LYS+  81  14.52 +/- 3.32   1.673% *  0.0767% (0.15   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LYS+  81  19.69 +/- 2.73   0.557% *  0.1535% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.58, support = 4.0, residual support = 17.3:
          HB2   ASP-  78 - HN    GLU-  79   2.97 +/- 0.51  49.854% * 78.0206% (0.60   4.62  20.97) =  80.152%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.15 +/- 0.69  45.276% * 21.2646% (0.51   1.48   2.25) =  19.840%  kept
          QE    LYS+  65 - HN    GLU-  79  16.70 +/- 5.31   1.274% *  0.0957% (0.17   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    GLU-  79  10.85 +/- 1.53   2.617% *  0.0466% (0.08   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    GLU-  79  18.58 +/- 5.82   0.634% *  0.1415% (0.25   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    GLU-  79  21.70 +/- 3.37   0.147% *  0.2500% (0.44   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    GLU-  79  20.68 +/- 3.84   0.198% *  0.1811% (0.32   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.094, support = 4.32, residual support = 56.7:
      O   HB2   GLU-  79 - HN    GLU-  79   2.57 +/- 0.35  96.570% * 98.3341% (0.09  10.0   4.32  56.73) =  99.989%  kept
          HG2   PRO   52 - HN    GLU-  79  16.77 +/- 5.13   1.780% *  0.2857% (0.27   1.0   0.02   0.02) =   0.005%
          HG3   GLU-  25 - HN    GLU-  79  19.61 +/- 6.92   0.636% *  0.4123% (0.39   1.0   0.02   0.02) =   0.003%
          HB2   PRO   58 - HN    GLU-  79  21.64 +/- 3.75   0.258% *  0.5103% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLU-  79  19.58 +/- 1.68   0.281% *  0.2174% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLU-  79  22.62 +/- 3.69   0.227% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  24.18 +/- 3.81   0.247% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.17, residual support = 56.7:
      O   HB3   GLU-  79 - HN    GLU-  79   2.77 +/- 0.55  96.763% * 99.6469% (0.59  10.0   4.17  56.73) =  99.997%  kept
          HB2   GLN   90 - HN    GLU-  79  12.38 +/- 1.60   1.468% *  0.0789% (0.47   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  79  21.45 +/- 5.78   0.669% *  0.0953% (0.56   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  79  21.13 +/- 6.16   0.638% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  23.18 +/- 2.65   0.289% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  25.88 +/- 2.28   0.173% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 3.94, residual support = 39.9:
      O   HB3   ASP-  78 - HN    ASP-  78   2.80 +/- 0.55  84.336% * 98.7578% (0.49  10.0   3.95  39.98) =  99.894%  kept
          QE    LYS+  74 - HN    ASP-  78   7.62 +/- 1.73   8.753% *  0.8699% (0.98   1.0   0.09   0.02) =   0.091%
          QB    CYS   50 - HN    ASP-  78  11.05 +/- 3.46   5.922% *  0.1958% (0.97   1.0   0.02   0.02) =   0.014%
          HB3   ASN   69 - HN    ASP-  78  21.21 +/- 3.43   0.267% *  0.1313% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  14.79 +/- 1.03   0.723% *  0.0452% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.97, support = 5.36, residual support = 37.5:
      O   HB2   ASP-  78 - HN    ASP-  78   2.59 +/- 0.43  66.675% * 82.0700% (0.98  10.0   5.38  39.98) =  93.002%  kept
          HB2   ASP-  76 - HN    ASP-  78   4.14 +/- 0.74  23.180% * 17.7561% (0.84   1.0   5.08   3.93) =   6.995%  kept
          HB2   ASP-  86 - HN    ASP-  78  10.92 +/- 1.79   8.280% *  0.0113% (0.14   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ASP-  78  16.11 +/- 5.34   1.091% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  21.61 +/- 3.41   0.228% *  0.0608% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  19.43 +/- 4.69   0.360% *  0.0344% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  21.28 +/- 3.06   0.187% *  0.0441% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.64, residual support = 27.8:
      O   HA    THR   77 - HN    ASP-  78   3.52 +/- 0.07  86.734% * 99.9219% (0.92  10.0   4.64  27.80) =  99.996%  kept
          HD2   PRO   93 - HN    ASP-  78  11.48 +/- 2.76  10.055% *  0.0270% (0.25   1.0   0.02   0.02) =   0.003%
          HB2   TRP   27 - HN    ASP-  78  14.99 +/- 5.09   2.507% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HA    LEU   31 - HN    ASP-  78  19.42 +/- 3.07   0.704% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.6, residual support = 3.93:
          HA    ASP-  76 - HN    ASP-  78   3.60 +/- 0.30  98.786% * 99.6667% (0.95   2.60   3.93) =  99.996%  kept
          HA    LEU   67 - HN    ASP-  78  17.98 +/- 3.36   1.214% *  0.3333% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 37.5:
      O   HA    THR   77 - HN    THR   77   2.83 +/- 0.05  92.130% * 99.8846% (0.98  10.0   4.03  37.48) =  99.995%  kept
          HD2   PRO   93 - HN    THR   77  10.25 +/- 2.44   6.100% *  0.0577% (0.57   1.0   0.02   0.02) =   0.004%
          HB2   TRP   27 - HN    THR   77  14.16 +/- 4.61   1.770% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.928, support = 3.48, residual support = 15.7:
          HB2   ASP-  76 - HN    THR   77   4.27 +/- 0.32  57.648% * 60.1859% (1.00   3.64  10.50) =  70.130%  kept
          HB2   ASP-  78 - HN    THR   77   5.01 +/- 0.47  37.601% * 39.2874% (0.76   3.10  27.80) =  29.859%  kept
          HB2   ASN   69 - HN    THR   77  19.79 +/- 3.15   0.935% *  0.3202% (0.97   0.02   0.02) =   0.006%
          QE    LYS+  66 - HN    THR   77  15.88 +/- 3.48   1.977% *  0.0657% (0.20   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    THR   77  18.72 +/- 4.19   1.138% *  0.0581% (0.18   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    THR   77  20.07 +/- 2.93   0.701% *  0.0827% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.565, support = 3.63, residual support = 10.5:
          HB3   ASP-  76 - HN    THR   77   4.18 +/- 0.42  64.579% * 95.2530% (0.57   3.64  10.50) =  99.779%  kept
          HG3   MET   92 - HN    THR   77  11.29 +/- 1.98   4.549% *  0.9254% (1.00   0.02   0.02) =   0.068%
          QG    GLN   90 - HN    THR   77   9.17 +/- 1.80  13.142% *  0.3157% (0.34   0.02   0.02) =   0.067%
          HB2   ASP-  44 - HN    THR   77   8.50 +/- 1.09   9.915% *  0.1831% (0.20   0.02   0.02) =   0.029%
          HB2   GLU-  29 - HN    THR   77  20.28 +/- 4.46   0.938% *  0.9071% (0.98   0.02   0.02) =   0.014%
          HG12  ILE  119 - HN    THR   77  17.68 +/- 2.33   1.170% *  0.6357% (0.69   0.02   0.02) =   0.012%
          HB2   ASP- 105 - HN    THR   77  18.02 +/- 1.58   0.965% *  0.7410% (0.80   0.02   0.02) =   0.012%
          HB3   PHE   72 - HN    THR   77  13.42 +/- 1.05   2.286% *  0.2573% (0.28   0.02   0.02) =   0.010%
          HG2   GLU- 100 - HN    THR   77  22.74 +/- 2.15   0.531% *  0.4504% (0.49   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    THR   77  21.20 +/- 4.37   0.848% *  0.2060% (0.22   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    THR   77  22.03 +/- 5.07   1.076% *  0.1252% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.03 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   2.37 +/- 0.50  82.472% * 96.0933% (0.61   4.03  37.48) =  99.926%  kept
          HB3   LEU   80 - HN    THR   77   6.92 +/- 1.48  10.258% *  0.3236% (0.41   0.02   0.59) =   0.042%
          QB    ALA   88 - HN    THR   77  11.04 +/- 1.36   1.374% *  0.7446% (0.95   0.02   0.02) =   0.013%
          HB3   ASP-  44 - HN    THR   77   7.94 +/- 1.47   3.974% *  0.1752% (0.22   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - HN    THR   77  18.30 +/- 4.16   0.447% *  0.5092% (0.65   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    THR   77  14.33 +/- 2.53   0.803% *  0.2429% (0.31   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    THR   77  18.17 +/- 3.59   0.368% *  0.4456% (0.57   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    THR   77  21.43 +/- 1.95   0.199% *  0.7059% (0.90   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    THR   77  24.28 +/- 1.75   0.105% *  0.7596% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.877, support = 2.34, residual support = 2.55:
          QB    ALA   47 - HN    THR   77   7.23 +/- 2.81  45.720% * 66.1564% (0.90   2.56   3.07) =  80.512%  kept
          QG1   VAL   42 - HN    THR   77  10.19 +/- 1.29  21.717% * 33.3686% (0.80   1.44   0.41) =  19.289%  kept
          QB    ALA   64 - HN    THR   77  10.42 +/- 1.37  22.515% *  0.2165% (0.38   0.02   0.02) =   0.130%  kept
          HG2   LYS+ 112 - HN    THR   77  16.40 +/- 4.04  10.049% *  0.2586% (0.45   0.02   0.02) =   0.069%
    Distance limit 4.36 A violated in 13 structures by 2.23 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 83.0:
      O   HA    VAL   75 - HN    VAL   75   2.90 +/- 0.04  89.741% * 99.8428% (0.97  10.0   5.23  83.00) =  99.996%  kept
          HA    ALA   61 - HN    VAL   75   9.04 +/- 2.39   7.196% *  0.0353% (0.34   1.0   0.02   0.02) =   0.003%
          HD3   PRO   58 - HN    VAL   75  14.78 +/- 2.84   0.938% *  0.1014% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   75  12.33 +/- 2.76   2.125% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.851, support = 0.921, residual support = 0.964:
          HB2   ASP-  44 - HN    VAL   75   4.86 +/- 0.89  57.933% * 58.3401% (0.87   0.97   0.90) =  85.311%  kept
          HB3   PHE   72 - HN    VAL   75   7.91 +/- 0.65  15.440% * 36.0255% (0.76   0.68   1.37) =  14.040%  kept
          QB    MET   11 - HN    VAL   75  21.03 +/- 4.95  11.370% *  1.2457% (0.90   0.02   0.02) =   0.358%  kept
          QG    GLU-  14 - HN    VAL   75  17.24 +/- 4.31   3.113% *  1.1602% (0.84   0.02   0.02) =   0.091%
          QG    GLN   90 - HN    VAL   75  13.07 +/- 1.26   3.514% *  0.9542% (0.69   0.02   0.02) =   0.085%
          QG    GLU-  15 - HN    VAL   75  17.89 +/- 4.83   1.784% *  1.3140% (0.95   0.02   0.02) =   0.059%
          HG12  ILE  119 - HN    VAL   75  14.94 +/- 2.35   2.597% *  0.4738% (0.34   0.02   0.02) =   0.031%
          HG2   MET   92 - HN    VAL   75  13.53 +/- 1.51   3.355% *  0.2433% (0.18   0.02   0.02) =   0.021%
          HG3   GLU-  36 - HN    VAL   75  21.04 +/- 2.48   0.896% *  0.2433% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.57 A violated in 1 structures by 0.36 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.367, support = 3.58, residual support = 22.8:
          HB3   LYS+  74 - HN    VAL   75   4.44 +/- 0.22  36.169% * 39.9697% (0.20   4.48  31.83) =  70.147%  kept
          HG    LEU   73 - HN    VAL   75   7.18 +/- 0.95  10.925% * 53.4230% (0.76   1.55   1.67) =  28.319%  kept
          QB    ALA   61 - HN    VAL   75   8.66 +/- 2.03   9.706% *  0.8832% (0.98   0.02   0.02) =   0.416%  kept
          HB3   LEU   67 - HN    VAL   75   9.97 +/- 2.79   6.663% *  0.8991% (1.00   0.02   0.02) =   0.291%  kept
          HG    LEU   80 - HN    VAL   75   9.62 +/- 2.74   6.018% *  0.7816% (0.87   0.02   0.33) =   0.228%  kept
          HG12  ILE   19 - HN    VAL   75  13.42 +/- 6.94   4.915% *  0.6886% (0.76   0.02   0.02) =   0.164%  kept
          QG    LYS+  66 - HN    VAL   75  11.17 +/- 2.09   3.079% *  0.8318% (0.92   0.02   0.02) =   0.124%  kept
          HB2   LEU   80 - HN    VAL   75   9.39 +/- 2.10   5.951% *  0.3074% (0.34   0.02   0.33) =   0.089%
          HG    LEU   67 - HN    VAL   75  10.15 +/- 2.97   9.293% *  0.1783% (0.20   0.02   0.02) =   0.080%
          QB    ALA  110 - HN    VAL   75  14.44 +/- 2.78   1.958% *  0.7526% (0.84   0.02   0.02) =   0.071%
          HG    LEU   40 - HN    VAL   75  11.85 +/- 1.49   2.255% *  0.2505% (0.28   0.02   0.02) =   0.027%
          HB3   LEU  115 - HN    VAL   75  13.24 +/- 2.38   1.983% *  0.2505% (0.28   0.02   0.02) =   0.024%
          HG2   LYS+ 102 - HN    VAL   75  20.35 +/- 1.66   0.395% *  0.5829% (0.65   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HN    VAL   75  19.17 +/- 3.01   0.691% *  0.2006% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.43 A violated in 0 structures by 0.05 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.89, residual support = 31.8:
          HG2   LYS+  74 - HN    VAL   75   3.48 +/- 0.62  72.333% * 95.3921% (0.45   5.90  31.83) =  99.801%  kept
          QG2   ILE   56 - HN    VAL   75  12.01 +/- 2.80   5.553% *  0.6255% (0.87   0.02   0.02) =   0.050%
          HG13  ILE   19 - HN    VAL   75  13.61 +/- 6.96   5.961% *  0.4953% (0.69   0.02   0.02) =   0.043%
          QB    ALA   91 - HN    VAL   75  11.08 +/- 0.96   2.887% *  0.6959% (0.97   0.02   0.02) =   0.029%
          QG2   THR   39 - HN    VAL   75  12.72 +/- 1.27   2.041% *  0.6959% (0.97   0.02   0.02) =   0.021%
          QB    ALA   34 - HN    VAL   75  12.06 +/- 1.74   2.763% *  0.4953% (0.69   0.02   0.02) =   0.020%
          HG    LEU   71 - HN    VAL   75  12.28 +/- 1.97   3.935% *  0.2964% (0.41   0.02   0.02) =   0.017%
          QG2   THR   23 - HN    VAL   75  12.39 +/- 3.58   3.387% *  0.2460% (0.34   0.02   0.02) =   0.012%
          HG3   LYS+  38 - HN    VAL   75  20.56 +/- 1.38   0.444% *  0.7068% (0.98   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    VAL   75  17.87 +/- 1.73   0.695% *  0.3510% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.931, support = 4.51, residual support = 81.4:
      O   HB    VAL   75 - HN    VAL   75   2.49 +/- 0.40  70.509% * 85.6151% (0.95  10.0   4.45  83.00) =  96.835%  kept
          HG3   LYS+  74 - HN    VAL   75   4.77 +/- 0.70  13.853% * 14.1725% (0.49   1.0   6.43  31.83) =   3.149%  kept
          QD1   LEU   67 - HN    VAL   75   7.36 +/- 2.64  12.928% *  0.0657% (0.73   1.0   0.02   0.02) =   0.014%
          QD2   LEU   40 - HN    VAL   75  10.92 +/- 1.47   1.194% *  0.0692% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   75  12.88 +/- 1.02   0.608% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  12.55 +/- 2.42   0.909% *  0.0226% (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 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.555, support = 1.45, residual support = 1.39:
          QD2   LEU   73 - HN    VAL   75   5.64 +/- 1.10  23.858% * 60.7883% (0.41   2.09   1.67) =  63.830%  kept
          QG2   THR   46 - HN    VAL   75   5.49 +/- 1.37  22.722% * 19.1456% (0.69   0.39   1.65) =  19.146%  kept
          QG1   VAL   43 - HN    VAL   75   5.76 +/- 1.67  23.063% * 15.6433% (0.97   0.23   0.02) =  15.879%  kept
          QG2   VAL   18 - HN    VAL   75  10.47 +/- 6.74  13.387% *  1.1328% (0.80   0.02   0.02) =   0.667%  kept
          QG1   VAL   41 - HN    VAL   75  10.51 +/- 1.23   3.201% *  1.4116% (1.00   0.02   0.02) =   0.199%  kept
          QD1   ILE   19 - HN    VAL   75  11.63 +/- 5.62   6.103% *  0.4826% (0.34   0.02   0.02) =   0.130%  kept
          HG    LEU   31 - HN    VAL   75  12.91 +/- 3.20   2.220% *  0.8009% (0.57   0.02   0.02) =   0.078%
          QD1   ILE   56 - HN    VAL   75  11.30 +/- 2.06   3.263% *  0.2800% (0.20   0.02   0.02) =   0.040%
          QD2   LEU  104 - HN    VAL   75  14.45 +/- 1.92   2.183% *  0.3150% (0.22   0.02   0.02) =   0.030%
    Distance limit 4.44 A violated in 0 structures by 0.07 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.23, residual support = 83.0:
          QG1   VAL   75 - HN    VAL   75   3.32 +/- 0.48  92.858% * 99.6847% (0.92   5.23  83.00) =  99.976%  kept
          QD1   LEU  115 - HN    VAL   75  10.46 +/- 2.47   7.142% *  0.3153% (0.76   0.02   0.02) =   0.024%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.486, support = 4.98, residual support = 82.9:
          QG2   VAL   75 - HN    VAL   75   3.22 +/- 0.51  83.730% * 98.6004% (0.49   4.99  83.00) =  99.854%  kept
          QG2   VAL   42 - HN    VAL   75   7.90 +/- 1.27   8.843% *  1.1971% (0.34   0.09   0.02) =   0.128%  kept
          QD1   ILE   89 - HN    VAL   75   8.56 +/- 1.61   7.428% *  0.2025% (0.25   0.02   0.02) =   0.018%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.689, support = 4.39, residual support = 181.9:
      O   HB3   LYS+  74 - HN    LYS+  74   2.67 +/- 0.33  47.786% * 90.2917% (0.71  10.0   4.37 186.64) =  96.807%  kept
          HB3   LEU   73 - HN    LYS+  74   3.32 +/- 0.92  33.171% *  3.8635% (0.11   1.0   5.53  43.08) =   2.875%  kept
          HG12  ILE   19 - HN    LYS+  74  11.09 +/- 7.28   2.544% *  5.3377% (0.43   1.0   1.95   7.69) =   0.305%  kept
          QB    ALA   61 - HN    LYS+  74   9.13 +/- 2.14   3.770% *  0.0279% (0.22   1.0   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    LYS+  74  11.07 +/- 2.76   1.052% *  0.0873% (0.68   1.0   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LYS+  74   8.64 +/- 2.08   4.174% *  0.0179% (0.14   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LYS+  74  10.74 +/- 3.66   1.613% *  0.0440% (0.34   1.0   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    LYS+  74  11.77 +/- 1.96   0.772% *  0.0785% (0.61   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  19.78 +/- 4.75   0.444% *  0.0905% (0.71   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+  74  16.33 +/- 4.08   0.725% *  0.0549% (0.43   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  74   9.79 +/- 2.52   1.893% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LYS+  74  16.71 +/- 3.47   0.511% *  0.0476% (0.37   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+  74  11.48 +/- 2.34   1.103% *  0.0179% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  13.86 +/- 3.22   0.442% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 6.03, residual support = 43.0:
          QD2   LEU   73 - HN    LYS+  74   3.91 +/- 0.59  85.877% * 97.3771% (0.20   6.03  43.08) =  99.913%  kept
          QD1   ILE   56 - HN    LYS+  74  12.81 +/- 2.96   6.621% *  0.6110% (0.37   0.02   0.02) =   0.048%
          HG3   LYS+ 121 - HN    LYS+  74  20.01 +/- 4.14   1.174% *  1.1511% (0.70   0.02   0.02) =   0.016%
          HG    LEU   31 - HN    LYS+  74  11.57 +/- 2.47   5.084% *  0.2034% (0.12   0.02   0.02) =   0.012%
          QD2   LEU  123 - HN    LYS+  74  18.04 +/- 3.13   1.243% *  0.6575% (0.40   0.02   0.02) =   0.010%
    Distance limit 3.84 A violated in 0 structures by 0.27 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.78, residual support = 43.1:
          HB2   LEU   73 - HN    LYS+  74   3.35 +/- 0.92  82.138% * 97.9872% (0.64   5.79  43.08) =  99.948%  kept
          QG1   ILE   56 - HN    LYS+  74  13.09 +/- 3.07   5.107% *  0.2138% (0.40   0.02   0.02) =   0.014%
          QD    LYS+  99 - HN    LYS+  74  15.44 +/- 2.46   2.535% *  0.3769% (0.71   0.02   0.02) =   0.012%
          QD    LYS+ 106 - HN    LYS+  74  15.03 +/- 1.98   1.855% *  0.3744% (0.70   0.02   0.02) =   0.009%
          HB3   LYS+  99 - HN    LYS+  74  15.76 +/- 2.33   2.454% *  0.1693% (0.32   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    LYS+  74  15.94 +/- 2.16   1.390% *  0.2887% (0.54   0.02   0.02) =   0.005%
          HG3   PRO   93 - HN    LYS+  74  14.54 +/- 2.29   1.953% *  0.1288% (0.24   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    LYS+  74  21.59 +/- 4.39   0.876% *  0.2443% (0.46   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    LYS+  74  22.18 +/- 3.98   0.771% *  0.1418% (0.27   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+  74  19.04 +/- 2.26   0.921% *  0.0747% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.05 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.55, support = 0.02, residual support = 0.158:
          HB    VAL   41 - HN    LYS+  74  10.64 +/- 2.08  18.520% * 15.4986% (0.71   0.02   0.02) =  27.578%  kept
          QB    LYS+  66 - HN    LYS+  74  11.54 +/- 1.46  12.248% * 14.9905% (0.68   0.02   0.02) =  17.641%  kept
          QB    LYS+  65 - HN    LYS+  74  10.00 +/- 1.99  21.518% *  6.3858% (0.29   0.02   0.02) =  13.203%  kept
          HB2   LEU   71 - HN    LYS+  74   9.87 +/- 1.58  22.173% *  5.8297% (0.27   0.02   1.13) =  12.420%  kept
          HG12  ILE  103 - HN    LYS+  74  14.99 +/- 2.20   6.402% * 14.6936% (0.67   0.02   0.02) =   9.038%  kept
          HG2   PRO   93 - HN    LYS+  74  14.79 +/- 2.14   7.532% * 11.8708% (0.54   0.02   0.02) =   8.591%  kept
          HB3   PRO   52 - HN    LYS+  74  18.58 +/- 3.95   5.524% * 11.2793% (0.51   0.02   0.02) =   5.987%  kept
          HG    LEU  123 - HN    LYS+  74  21.24 +/- 3.96   2.567% * 11.2793% (0.51   0.02   0.02) =   2.782%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.87 +/- 2.14   3.516% *  8.1723% (0.37   0.02   0.02) =   2.760%  kept
    Distance limit 4.57 A violated in 19 structures by 3.01 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.777, support = 5.0, residual support = 39.3:
          HB3   PHE   72 - HN    LEU   73   3.51 +/- 0.66  62.893% * 72.1356% (0.76   5.47  44.33) =  87.528%  kept
          HB2   ASP-  44 - HN    LEU   73   6.72 +/- 2.33  24.331% * 26.4638% (0.87   1.77   4.04) =  12.422%  kept
          QG    GLU-  15 - HN    LEU   73  14.59 +/- 4.86   2.499% *  0.3266% (0.95   0.02   0.02) =   0.016%
          QG    GLU-  14 - HN    LEU   73  14.49 +/- 4.12   2.416% *  0.2884% (0.84   0.02   0.02) =   0.013%
          HG12  ILE  119 - HN    LEU   73  14.54 +/- 4.39   3.907% *  0.1178% (0.34   0.02   0.02) =   0.009%
          QB    MET   11 - HN    LEU   73  18.41 +/- 3.97   1.097% *  0.3097% (0.90   0.02   0.02) =   0.007%
          QG    GLN   90 - HN    LEU   73  16.82 +/- 1.35   0.641% *  0.2372% (0.69   0.02   0.02) =   0.003%
          HG3   GLU-  36 - HN    LEU   73  16.79 +/- 3.44   1.166% *  0.0605% (0.18   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    LEU   73  17.16 +/- 2.76   1.050% *  0.0605% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.28, residual support = 173.8:
      O   HB2   LEU   73 - HN    LEU   73   3.33 +/- 0.35  83.595% * 99.3783% (0.99  10.0   6.28 173.81) =  99.990%  kept
          QD    LYS+  99 - HN    LEU   73  12.83 +/- 1.96   1.991% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    LEU   73  16.44 +/- 2.78   1.456% *  0.0994% (0.99   1.0   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    LEU   73  13.41 +/- 1.98   1.557% *  0.0899% (0.90   1.0   0.02   0.02) =   0.002%
          QG1   ILE   56 - HN    LEU   73  12.69 +/- 3.66   4.827% *  0.0250% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LEU   73  15.20 +/- 2.64   1.434% *  0.0689% (0.69   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  21.08 +/- 4.29   0.516% *  0.0948% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LEU   73  20.36 +/- 4.56   0.651% *  0.0728% (0.73   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  16.84 +/- 2.21   0.832% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  12.90 +/- 1.70   1.855% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  14.48 +/- 2.18   1.286% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.465, support = 6.18, residual support = 151.9:
      O   HB3   LEU   73 - HN    LEU   73   3.23 +/- 0.47  48.681% * 58.9852% (0.41  10.0   6.55 173.81) =  84.622%  kept
          HB3   LYS+  74 - HN    LEU   73   6.01 +/- 0.96  13.316% * 28.4382% (0.87   1.0   4.57  43.08) =  11.160%  kept
          HB    VAL   42 - HN    LEU   73   6.17 +/- 1.52  12.108% * 11.3277% (0.49   1.0   3.24   0.64) =   4.042%  kept
          HG12  ILE   19 - HN    LEU   73   9.99 +/- 6.60  11.443% *  0.4134% (0.28   1.0   0.21   5.02) =   0.139%  kept
          QB    LEU   98 - HN    LEU   73   9.62 +/- 2.10   2.917% *  0.1432% (1.00   1.0   0.02   0.02) =   0.012%
          HG3   LYS+  33 - HN    LEU   73  11.81 +/- 3.79   2.618% *  0.0812% (0.57   1.0   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    LEU   73  15.80 +/- 3.63   1.127% *  0.1324% (0.92   1.0   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    LEU   73  11.29 +/- 1.59   1.846% *  0.0698% (0.49   1.0   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    LEU   73  17.68 +/- 4.95   0.884% *  0.1198% (0.84   1.0   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    LEU   73  12.96 +/- 2.79   1.025% *  0.0986% (0.69   1.0   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    LEU   73  12.82 +/- 3.69   1.310% *  0.0284% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   73  18.07 +/- 4.02   0.685% *  0.0443% (0.31   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   73  16.44 +/- 3.43   0.940% *  0.0319% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  13.91 +/- 1.79   0.780% *  0.0319% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   73  18.42 +/- 2.60   0.320% *  0.0538% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.969, support = 7.91, residual support = 168.4:
          QD2   LEU   73 - HN    LEU   73   2.07 +/- 0.77  63.064% * 78.6891% (0.98   8.10 173.81) =  96.867%  kept
          QG1   VAL   43 - HN    LEU   73   6.00 +/- 1.65   6.476% * 13.5427% (0.38   3.64   2.53) =   1.712%  kept
          HG    LEU   31 - HN    LEU   73   9.96 +/- 2.92  10.503% *  6.6071% (1.00   0.67   0.41) =   1.355%  kept
          QG1   VAL   41 - HN    LEU   73   7.45 +/- 2.05   2.325% *  0.9136% (0.57   0.16   0.02) =   0.041%
          QD1   ILE   56 - HN    LEU   73  12.42 +/- 3.56   4.975% *  0.1588% (0.80   0.02   0.02) =   0.015%
          QG2   VAL   18 - HN    LEU   73   9.05 +/- 5.91  12.446% *  0.0392% (0.20   0.02   0.59) =   0.010%
          HG3   LYS+ 121 - HN    LEU   73  17.80 +/- 4.51   0.211% *  0.0495% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.573, support = 6.15, residual support = 160.6:
          QD1   LEU   73 - HN    LEU   73   3.40 +/- 0.70  44.567% * 71.8672% (0.57   6.60 173.81) =  92.382%  kept
          QG2   VAL   41 - HN    LEU   73   6.55 +/- 2.51  23.121% *  8.0330% (0.61   0.69   0.02) =   5.357%  kept
          QD2   LEU   63 - HN    LEU   73   8.49 +/- 1.46   3.357% * 12.5439% (1.00   0.65   0.02) =   1.215%  kept
          QD1   LEU   63 - HN    LEU   73   8.28 +/- 1.74   4.731% *  7.0584% (0.57   0.65   0.02) =   0.963%  kept
          QD2   LEU  115 - HN    LEU   73  12.57 +/- 4.05  11.985% *  0.0959% (0.25   0.02   0.02) =   0.033%
          QD2   LEU   98 - HN    LEU   73   8.46 +/- 2.31   5.648% *  0.1580% (0.41   0.02   0.02) =   0.026%
          QD1   LEU   80 - HN    LEU   73  10.73 +/- 3.83   3.614% *  0.1580% (0.41   0.02   0.02) =   0.016%
          QD2   LEU   80 - HN    LEU   73  10.56 +/- 3.17   2.977% *  0.0856% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.688, support = 2.7, residual support = 4.12:
          QB    ALA   64 - HN    LEU   73   5.10 +/- 1.12  48.038% * 85.6321% (0.73   3.00   4.67) =  86.397%  kept
          QG1   VAL   42 - HN    LEU   73   5.33 +/- 1.88  46.855% * 13.7845% (0.45   0.78   0.64) =  13.565%  kept
          QB    ALA   47 - HN    LEU   73  13.14 +/- 1.50   3.550% *  0.4456% (0.57   0.02   0.02) =   0.033%
          HG2   LYS+ 112 - HN    LEU   73  17.78 +/- 4.25   1.557% *  0.1378% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.70 A violated in 0 structures by 0.23 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.276, support = 1.73, residual support = 2.44:
          QG2   VAL   43 - HN    LEU   73   6.05 +/- 1.10  45.902% * 91.1869% (0.25   1.80   2.53) =  95.812%  kept
          QD2   LEU   31 - HN    LEU   73   7.82 +/- 2.80  32.417% *  4.0530% (1.00   0.02   0.41) =   3.008%  kept
          QG2   VAL   83 - HN    LEU   73  10.28 +/- 1.86  10.801% *  2.9431% (0.73   0.02   0.02) =   0.728%  kept
          QD1   ILE   89 - HN    LEU   73  11.14 +/- 2.19  10.880% *  1.8171% (0.45   0.02   0.02) =   0.453%  kept
    Distance limit 4.57 A violated in 6 structures by 0.94 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.568, support = 4.75, residual support = 86.1:
      O   HB2   PHE   72 - HN    PHE   72   3.45 +/- 0.44  66.839% * 79.6732% (0.53  10.0   4.96  90.29) =  90.520%  kept
          HA    ALA   64 - HN    PHE   72   5.17 +/- 0.80  27.503% * 20.2734% (0.97   1.0   2.77  45.90) =   9.478%  kept
          HB3   ASN   69 - HN    PHE   72   8.76 +/- 0.50   4.474% *  0.0234% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    PHE   72  14.91 +/- 1.70   1.185% *  0.0300% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.24, residual support = 90.2:
      O   HB3   PHE   72 - HN    PHE   72   3.20 +/- 0.45  75.489% * 99.0062% (0.76  10.0   5.25  90.29) =  99.898%  kept
          HB2   ASP-  44 - HN    PHE   72   8.06 +/- 1.84  14.681% *  0.4683% (0.87   1.0   0.08   0.02) =   0.092%
          QG    GLU-  15 - HN    PHE   72  13.41 +/- 4.81   1.908% *  0.1225% (0.95   1.0   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    PHE   72  13.71 +/- 3.61   1.661% *  0.1082% (0.84   1.0   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    PHE   72  14.27 +/- 3.76   3.482% *  0.0442% (0.34   1.0   0.02   0.02) =   0.002%
          QB    MET   11 - HN    PHE   72  17.30 +/- 3.24   1.072% *  0.1162% (0.90   1.0   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    PHE   72  19.07 +/- 1.39   0.416% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.44 +/- 2.77   0.865% *  0.0227% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  19.15 +/- 2.56   0.426% *  0.0227% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 4.03, residual support = 19.4:
          HG    LEU   71 - HN    PHE   72   5.15 +/- 0.57  37.777% * 88.8234% (0.99   4.20  20.24) =  95.704%  kept
          HG2   LYS+  74 - HN    PHE   72   8.52 +/- 1.24  10.475% *  4.8276% (1.00   0.23   1.79) =   1.442%  kept
          QG2   THR   39 - HN    PHE   72   7.26 +/- 1.64  15.544% *  3.2013% (0.65   0.23   0.02) =   1.419%  kept
          HG13  ILE   19 - HN    PHE   72  10.10 +/- 6.47  25.665% *  1.8701% (0.95   0.09   1.04) =   1.369%  kept
          HG3   LYS+  99 - HN    PHE   72  13.18 +/- 1.92   2.532% *  0.4263% (1.00   0.02   0.02) =   0.031%
          QB    ALA   91 - HN    PHE   72  16.46 +/- 1.58   1.170% *  0.2757% (0.65   0.02   0.02) =   0.009%
          QG2   ILE   56 - HN    PHE   72  13.70 +/- 2.48   3.280% *  0.0949% (0.22   0.02   0.02) =   0.009%
          HG3   LYS+  38 - HN    PHE   72  14.54 +/- 1.52   1.753% *  0.1600% (0.38   0.02   0.02) =   0.008%
          HG12  ILE   89 - HN    PHE   72  17.05 +/- 2.36   1.205% *  0.1752% (0.41   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HN    PHE   72  21.90 +/- 3.11   0.598% *  0.1454% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.24 A violated in 0 structures by 0.30 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.932, support = 5.29, residual support = 20.5:
          QD2   LEU   71 - HN    PHE   72   3.78 +/- 0.34  46.726% * 89.9854% (0.97   5.51  20.24) =  94.864%  kept
          QD1   LEU   67 - HN    PHE   72   4.98 +/- 1.63  30.064% *  7.0949% (0.31   1.36  26.43) =   4.813%  kept
          HG3   LYS+  74 - HN    PHE   72   8.92 +/- 1.62   5.801% *  2.0219% (0.53   0.23   1.79) =   0.265%  kept
          QD2   LEU   40 - HN    PHE   72   6.94 +/- 1.30  12.177% *  0.0941% (0.28   0.02   0.02) =   0.026%
          QG2   ILE  119 - HN    PHE   72  13.57 +/- 3.26   2.308% *  0.3267% (0.97   0.02   0.02) =   0.017%
          QD1   ILE  103 - HN    PHE   72  12.75 +/- 1.09   1.439% *  0.3378% (1.00   0.02   0.02) =   0.011%
          QG2   ILE  103 - HN    PHE   72  12.57 +/- 0.94   1.485% *  0.1392% (0.41   0.02   0.02) =   0.005%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 851 (4.02, 9.36, 127.59 ppm):
    8 chemical-shift based assignments, quality = 0.755, support = 3.13, residual support = 46.5:
          HA    VAL   70 - HN    PHE   72   4.85 +/- 0.40  43.914% * 87.7783% (0.80   3.34  51.04) =  90.875%  kept
          HA    VAL   18 - HN    PHE   72   9.62 +/- 7.94  37.659% * 10.0769% (0.31   1.00   0.89) =   8.946%  kept
          HB2   SER   37 - HN    PHE   72  10.85 +/- 1.45   4.205% *  0.5687% (0.87   0.02   0.02) =   0.056%
          HA1   GLY   16 - HN    PHE   72  13.50 +/- 7.15   6.217% *  0.3449% (0.53   0.02   0.02) =   0.051%
          HA    GLN  116 - HN    PHE   72  16.49 +/- 4.06   3.705% *  0.5250% (0.80   0.02   0.02) =   0.046%
          HA    LYS+  33 - HN    PHE   72  13.88 +/- 2.01   1.957% *  0.3191% (0.49   0.02   0.02) =   0.015%
          HA    GLU-  29 - HN    PHE   72  14.72 +/- 2.02   1.580% *  0.2236% (0.34   0.02   0.02) =   0.008%
          HB2   SER   82 - HN    PHE   72  19.50 +/- 2.39   0.765% *  0.1635% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 6.25, residual support = 34.7:
          HB    VAL   70 - HN    LEU   71   4.22 +/- 0.28  72.438% * 98.2662% (0.98   6.26  34.78) =  99.885%  kept
          QG    GLN   17 - HN    LEU   71  11.98 +/- 4.68  11.290% *  0.3198% (1.00   0.02   0.02) =   0.051%
          HB2   MET   96 - HN    LEU   71  11.84 +/- 1.48   3.813% *  0.8798% (0.65   0.08   0.02) =   0.047%
          HB2   LYS+  38 - HN    LEU   71  11.12 +/- 1.97   5.908% *  0.0891% (0.28   0.02   0.02) =   0.007%
          HB2   GLU-  25 - HN    LEU   71  18.29 +/- 2.14   1.098% *  0.3177% (0.99   0.02   0.02) =   0.005%
          HG2   GLU- 100 - HN    LEU   71  12.38 +/- 1.96   4.018% *  0.0714% (0.22   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  16.40 +/- 1.61   1.436% *  0.0561% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.43 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 = 0.979, support = 6.34, residual support = 139.1:
      O   HB2   LEU   71 - HN    LEU   71   2.65 +/- 0.49  84.027% * 96.3574% (0.98  10.0   6.35 139.47) =  99.758%  kept
          HB    VAL   41 - HN    LEU   71   7.81 +/- 1.84   5.904% *  3.2133% (0.45   1.0   1.46   2.84) =   0.234%  kept
          QB    LYS+  65 - HN    LEU   71  10.17 +/- 1.48   2.315% *  0.0974% (0.99   1.0   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    LEU   71   9.62 +/- 1.69   3.395% *  0.0636% (0.65   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LEU   71  13.06 +/- 4.86   2.551% *  0.0517% (0.53   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   71  14.60 +/- 1.40   0.660% *  0.0981% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   71  18.98 +/- 3.06   0.342% *  0.0882% (0.90   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  13.69 +/- 1.36   0.806% *  0.0303% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 5.77, residual support = 135.9:
          HG    LEU   71 - HN    LEU   71   3.40 +/- 0.71  53.889% * 82.4458% (0.99   5.91 139.47) =  97.405%  kept
          HG13  ILE   19 - HN    LEU   71  11.63 +/- 5.14   5.153% * 11.7110% (0.95   0.88   0.29) =   1.323%  kept
          QG2   THR   39 - HN    LEU   71   5.48 +/- 2.07  31.866% *  1.5837% (0.65   0.17   0.16) =   1.106%  kept
          HG2   LYS+  74 - HN    LEU   71  11.94 +/- 1.34   1.861% *  3.4160% (1.00   0.24   1.13) =   0.139%  kept
          HG3   LYS+  99 - HN    LEU   71  11.03 +/- 1.68   2.558% *  0.2815% (1.00   0.02   0.02) =   0.016%
          HG3   LYS+  38 - HN    LEU   71  11.96 +/- 1.99   2.271% *  0.1056% (0.38   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    LEU   71  14.95 +/- 2.73   1.225% *  0.0627% (0.22   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    LEU   71  18.51 +/- 1.90   0.421% *  0.1821% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   89 - HN    LEU   71  19.18 +/- 2.82   0.452% *  0.1157% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  23.34 +/- 3.40   0.303% *  0.0960% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.21 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 5.97, residual support = 93.4:
          QD1   LEU   71 - HN    LEU   71   3.21 +/- 0.92  46.970% * 42.4953% (0.84   6.22 139.47) =  56.995%  kept
          QG1   VAL   70 - HN    LEU   71   4.04 +/- 0.41  29.243% * 48.0515% (0.98   5.99  34.78) =  40.124%  kept
          QG1   VAL   18 - HN    LEU   71  10.07 +/- 5.62  11.506% *  6.4317% (1.00   0.79   0.02) =   2.113%  kept
          HB3   LEU   63 - HN    LEU   71   9.21 +/- 2.92   9.603% *  2.7728% (0.69   0.49   0.02) =   0.760%  kept
          QD1   LEU  123 - HN    LEU   71  14.57 +/- 4.50   1.321% *  0.1367% (0.84   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    LEU   71  13.33 +/- 1.59   1.023% *  0.0796% (0.49   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   71  18.07 +/- 1.70   0.335% *  0.0324% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.36, residual support = 34.8:
          QG2   VAL   70 - HN    LEU   71   2.87 +/- 0.56 100.000% *100.0000% (0.73   6.36  34.78) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.08 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.43, residual support = 79.3:
      O   HB    VAL   70 - HN    VAL   70   2.65 +/- 0.35  92.046% * 99.6297% (0.76  10.0   4.43  79.30) =  99.992%  kept
          QG    GLN   17 - HN    VAL   70  11.91 +/- 4.83   4.542% *  0.1089% (0.84   1.0   0.02   0.02) =   0.005%
          HB2   LYS+  38 - HN    VAL   70  13.03 +/- 2.43   1.383% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   70  19.64 +/- 3.16   0.391% *  0.1203% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   70  12.85 +/- 1.08   1.039% *  0.0445% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    VAL   70  18.30 +/- 3.06   0.599% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.796, support = 0.68, residual support = 8.6:
          HB3   LEU   67 - HN    VAL   70   4.51 +/- 1.40  32.663% * 29.3575% (0.87   0.72   0.14) =  54.296%  kept
          HG    LEU   40 - HN    VAL   70   6.37 +/- 1.28  15.413% * 26.2987% (0.61   0.92  36.73) =  22.952%  kept
          HG    LEU   73 - HN    VAL   70  10.90 +/- 1.96   7.662% * 22.1898% (0.99   0.48   0.85) =   9.627%  kept
          HG    LEU   67 - HN    VAL   70   5.32 +/- 1.10  20.953% *  5.4175% (0.49   0.24   0.14) =   6.428%  kept
          QG    LYS+  66 - HN    VAL   70   7.57 +/- 1.31   8.322% * 11.8886% (0.98   0.26   0.02) =   5.602%  kept
          HG12  ILE   19 - HN    VAL   70  12.80 +/- 5.26   8.690% *  1.7586% (0.41   0.09   0.02) =   0.865%  kept
          QB    ALA   61 - HN    VAL   70  10.00 +/- 1.41   3.785% *  0.6815% (0.73   0.02   0.02) =   0.146%  kept
          HB3   LEU  115 - HN    VAL   70  15.75 +/- 2.24   0.950% *  0.5693% (0.61   0.02   0.02) =   0.031%
          HG2   LYS+ 102 - HN    VAL   70  18.81 +/- 1.91   0.459% *  0.8878% (0.95   0.02   0.02) =   0.023%
          HG    LEU   80 - HN    VAL   70  18.40 +/- 2.99   0.650% *  0.4938% (0.53   0.02   0.02) =   0.018%
          QB    ALA  110 - HN    VAL   70  18.72 +/- 2.18   0.454% *  0.4568% (0.49   0.02   0.02) =   0.012%
    Distance limit 4.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.932, support = 4.67, residual support = 73.5:
          QG1   VAL   70 - HN    VAL   70   2.47 +/- 0.52  64.269% * 51.5745% (0.92   4.76  79.30) =  87.016%  kept
          QD1   LEU   71 - HN    VAL   70   5.95 +/- 1.25  10.275% * 47.7187% (1.00   4.07  34.78) =  12.872%  kept
          QG1   VAL   18 - HN    VAL   70  10.02 +/- 5.79  16.927% *  0.1960% (0.84   0.02   0.02) =   0.087%
          HB3   LEU   63 - HN    VAL   70   7.72 +/- 1.89   6.803% *  0.0801% (0.34   0.02   0.02) =   0.014%
          QD1   LEU  123 - HN    VAL   70  13.84 +/- 4.38   1.229% *  0.2347% (1.00   0.02   0.02) =   0.008%
          HB3   LEU  104 - HN    VAL   70  14.16 +/- 2.45   0.496% *  0.1960% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.01, residual support = 79.3:
          QG2   VAL   70 - HN    VAL   70   3.61 +/- 0.44 100.000% *100.0000% (0.98   4.01  79.30) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.95, residual support = 59.0:
      O   HB2   ASN   69 - HD22  ASN   69   3.83 +/- 0.36  81.732% * 99.7633% (0.55  10.0   2.95  59.02) =  99.994%  kept
          QE    LYS+  66 - HD22  ASN   69  10.96 +/- 2.74   8.685% *  0.0227% (0.12   1.0   0.02   0.19) =   0.002%
          QE    LYS+  33 - HD22  ASN   69  12.61 +/- 3.01   5.322% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HD22  ASN   69  19.69 +/- 3.41   0.902% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - HD22  ASN   69  18.73 +/- 5.07   2.843% *  0.0157% (0.09   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  23.33 +/- 3.90   0.516% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.554, support = 2.86, residual support = 20.5:
          QG1   VAL   70 - HD22  ASN   69   4.92 +/- 1.39  42.985% * 78.8103% (0.56   3.25  24.51) =  83.612%  kept
          QD1   LEU   71 - HD22  ASN   69   6.79 +/- 2.34  33.275% * 19.6922% (0.53   0.86   0.26) =  16.173%  kept
          QD1   LEU  123 - HD22  ASN   69  15.13 +/- 4.49   7.568% *  0.4593% (0.53   0.02   0.02) =   0.086%
          HB3   LEU   63 - HD22  ASN   69  10.77 +/- 3.30   8.998% *  0.2555% (0.30   0.02   0.02) =   0.057%
          QG1   VAL   18 - HD22  ASN   69  12.47 +/- 4.94   4.519% *  0.4686% (0.54   0.02   0.02) =   0.052%
          HB3   LEU  104 - HD22  ASN   69  14.87 +/- 3.60   2.655% *  0.3141% (0.36   0.02   0.02) =   0.021%
    Distance limit 4.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 3.2, residual support = 3.2:
          HA    LEU   67 - HN    ASN   69   4.12 +/- 0.73 100.000% *100.0000% (0.92   3.20   3.20) = 100.000%  kept
    Distance limit 4.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 5.96, residual support = 30.8:
          HD2   PRO   68 - HN    ASN   69   3.36 +/- 0.77  89.926% * 99.1822% (0.80   5.96  30.77) =  99.965%  kept
          HA    ALA   61 - HN    ASN   69  10.90 +/- 2.09   5.988% *  0.3931% (0.95   0.02   0.02) =   0.026%
          HA    VAL   75 - HN    ASN   69  14.27 +/- 2.23   2.834% *  0.1559% (0.38   0.02   0.02) =   0.005%
          HD3   PRO   58 - HN    ASN   69  16.68 +/- 1.85   1.252% *  0.2688% (0.65   0.02   0.02) =   0.004%
    Distance limit 4.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.96, residual support = 30.8:
          HD3   PRO   68 - HN    ASN   69   3.86 +/- 0.84  91.821% * 98.4620% (0.99   5.96  30.77) =  99.973%  kept
          HB3   CYS   53 - HN    ASN   69  18.47 +/- 4.37   2.004% *  0.3216% (0.97   0.02   0.02) =   0.007%
          HB2   PHE   59 - HN    ASN   69  14.85 +/- 1.58   2.223% *  0.2547% (0.76   0.02   0.02) =   0.006%
          QB    PHE   55 - HN    ASN   69  17.88 +/- 3.32   1.589% *  0.3216% (0.97   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HN    ASN   69  20.69 +/- 4.62   1.382% *  0.3076% (0.92   0.02   0.02) =   0.005%
          HD3   PRO   93 - HN    ASN   69  20.88 +/- 3.65   0.981% *  0.3325% (1.00   0.02   0.02) =   0.004%
    Distance limit 4.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.841, support = 0.22, residual support = 0.176:
          QE    LYS+  66 - HN    ASN   69   8.22 +/- 1.60  31.273% * 88.7138% (0.87   0.24   0.19) =  92.156%  kept
          HA    ALA   64 - HN    ASN   69   6.18 +/- 1.19  59.802% *  2.6619% (0.31   0.02   0.02) =   5.288%  kept
          HB3   ASN   35 - HN    ASN   69  16.43 +/- 3.63   8.925% *  8.6243% (1.00   0.02   0.02) =   2.557%  kept
    Distance limit 3.93 A violated in 13 structures by 1.89 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.156, support = 3.82, residual support = 24.4:
          HB    VAL   70 - HN    ASN   69   4.36 +/- 0.56  74.351% * 89.1776% (0.15   3.84  24.51) =  99.482%  kept
          HB2   LYS+  38 - HN    ASN   69  13.50 +/- 3.20   6.152% *  2.9830% (0.99   0.02   0.02) =   0.275%  kept
          QG    GLN   17 - HN    ASN   69  12.46 +/- 4.82  10.219% *  0.5956% (0.20   0.02   0.02) =   0.091%
          HG3   GLU-  29 - HN    ASN   69  19.46 +/- 3.61   1.658% *  2.4099% (0.80   0.02   0.02) =   0.060%
          HB3   GLU-  29 - HN    ASN   69  17.99 +/- 3.31   1.882% *  1.2373% (0.41   0.02   0.02) =   0.035%
          QB    GLU-  36 - HN    ASN   69  15.02 +/- 2.72   2.917% *  0.5271% (0.18   0.02   0.02) =   0.023%
          HB2   GLU-  25 - HN    ASN   69  20.86 +/- 3.74   1.210% *  0.8368% (0.28   0.02   0.02) =   0.015%
          HB2   GLN   90 - HN    ASN   69  26.31 +/- 2.64   0.402% *  1.8254% (0.61   0.02   0.02) =   0.011%
          HB3   GLU-  79 - HN    ASN   69  19.54 +/- 3.20   1.208% *  0.4073% (0.14   0.02   0.02) =   0.007%
    Distance limit 4.67 A violated in 0 structures by 0.11 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.955, support = 6.02, residual support = 30.8:
      O   HB3   PRO   68 - HN    ASN   69   4.00 +/- 0.83  36.454% * 95.4548% (0.99  10.0   6.02  30.77) =  95.799%  kept
          HG2   PRO   68 - HN    ASN   69   3.99 +/- 1.37  38.520% *  3.9247% (0.14   1.0   6.02  30.77) =   4.162%  kept
          HB2   GLN   30 - HN    ASN   69  13.62 +/- 3.24  10.099% *  0.0545% (0.57   1.0   0.02   0.02) =   0.015%
          HG3   GLN   30 - HN    ASN   69  13.64 +/- 3.08   2.717% *  0.0835% (0.87   1.0   0.02   0.02) =   0.006%
          HB2   GLN   17 - HN    ASN   69  13.86 +/- 4.73   2.398% *  0.0699% (0.73   1.0   0.02   0.02) =   0.005%
          QB    GLU-  15 - HN    ASN   69  14.17 +/- 3.84   1.920% *  0.0699% (0.73   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    ASN   69  16.63 +/- 3.92   1.716% *  0.0545% (0.57   1.0   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HN    ASN   69  16.42 +/- 3.26   1.352% *  0.0623% (0.65   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASN   69  14.29 +/- 3.85   2.460% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ASN   69  21.35 +/- 3.87   0.646% *  0.0507% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASN   69  23.02 +/- 3.27   0.309% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ASN   69  18.64 +/- 2.77   0.667% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  21.43 +/- 2.10   0.343% *  0.0329% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  20.73 +/- 4.30   0.398% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.47, residual support = 30.7:
          HG3   PRO   68 - HN    ASN   69   3.95 +/- 0.79  67.547% * 92.7609% (0.38   5.49  30.77) =  99.660%  kept
          HB3   GLN   30 - HN    ASN   69  13.93 +/- 3.10  10.754% *  0.7206% (0.80   0.02   0.02) =   0.123%  kept
          HB3   LYS+  38 - HN    ASN   69  12.68 +/- 3.39   5.866% *  0.8513% (0.95   0.02   0.02) =   0.079%
          QB    LYS+  33 - HN    ASN   69  13.77 +/- 2.58   6.243% *  0.5458% (0.61   0.02   0.02) =   0.054%
          HB    ILE   56 - HN    ASN   69  17.03 +/- 2.69   1.190% *  0.8979% (1.00   0.02   0.02) =   0.017%
          HB3   ASP- 105 - HN    ASN   69  14.95 +/- 2.77   2.248% *  0.4380% (0.49   0.02   0.02) =   0.016%
          QB    LYS+ 106 - HN    ASN   69  16.68 +/- 1.78   1.249% *  0.7206% (0.80   0.02   0.02) =   0.014%
          HB3   PRO   58 - HN    ASN   69  16.37 +/- 2.02   1.439% *  0.4035% (0.45   0.02   0.02) =   0.009%
          HG2   ARG+  54 - HN    ASN   69  19.53 +/- 4.22   1.111% *  0.4035% (0.45   0.02   0.02) =   0.007%
          HB    ILE  103 - HN    ASN   69  18.64 +/- 2.12   0.984% *  0.3700% (0.41   0.02   0.02) =   0.006%
          QB    LYS+  81 - HN    ASN   69  22.44 +/- 2.12   0.506% *  0.6877% (0.76   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    ASN   69  22.66 +/- 3.25   0.562% *  0.5822% (0.65   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    ASN   69  25.95 +/- 2.63   0.301% *  0.6181% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.19 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.716, support = 4.25, residual support = 23.4:
          QG1   VAL   70 - HN    ASN   69   3.33 +/- 0.77  59.995% * 80.1108% (0.73   4.40  24.51) =  95.248%  kept
          QD1   LEU   71 - HN    ASN   69   6.99 +/- 1.38  12.987% * 16.4363% (0.49   1.35   0.26) =   4.230%  kept
          HB3   LEU   63 - HN    ASN   69   8.35 +/- 2.13   8.183% *  2.4462% (0.97   0.10   0.02) =   0.397%  kept
          QG1   VAL   18 - HN    ASN   69  11.04 +/- 5.57  10.939% *  0.4190% (0.84   0.02   0.02) =   0.091%
          QD1   LEU  123 - HN    ASN   69  13.97 +/- 4.68   6.105% *  0.2442% (0.49   0.02   0.02) =   0.030%
          HB3   LEU  104 - HN    ASN   69  15.17 +/- 2.98   1.337% *  0.0993% (0.20   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    ASN   69  19.41 +/- 1.76   0.454% *  0.2442% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.986, support = 3.92, residual support = 21.8:
          HD2   PRO   68 - HN    LEU   67   3.78 +/- 0.98  55.672% * 96.1950% (1.00   3.94  21.73) =  98.722%  kept
          HA    VAL   24 - HE3   TRP   27   5.72 +/- 0.30  22.138% *  2.8748% (0.04   2.74  26.60) =   1.173%  kept
          HA    ALA   61 - HN    LEU   67   7.57 +/- 0.81   9.873% *  0.4724% (0.97   0.02   0.02) =   0.086%
          HA    ALA   61 - HE3   TRP   27  13.10 +/- 3.21   6.268% *  0.0594% (0.12   0.02   0.02) =   0.007%
          HD3   PRO   58 - HN    LEU   67  13.78 +/- 1.34   1.719% *  0.1511% (0.31   0.02   0.02) =   0.005%
          HA    VAL   24 - HN    LEU   67  16.76 +/- 3.90   1.227% *  0.1670% (0.34   0.02   0.02) =   0.004%
          HD2   PRO   68 - HE3   TRP   27  13.63 +/- 2.91   2.362% *  0.0614% (0.13   0.02   0.02) =   0.003%
          HD3   PRO   58 - HE3   TRP   27  19.04 +/- 3.35   0.742% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.56, residual support = 21.7:
          HD3   PRO   68 - HN    LEU   67   3.49 +/- 1.15  79.954% * 97.5382% (0.76   4.56  21.73) =  99.948%  kept
          HB2   PHE   59 - HN    LEU   67  11.84 +/- 1.35   3.832% *  0.2299% (0.41   0.02   0.02) =   0.011%
          HB3   CYS   53 - HN    LEU   67  15.48 +/- 3.40   1.636% *  0.5290% (0.95   0.02   0.02) =   0.011%
          HD3   PRO   93 - HN    LEU   67  18.13 +/- 3.81   1.451% *  0.4478% (0.80   0.02   0.02) =   0.008%
          HD2   ARG+  54 - HN    LEU   67  17.91 +/- 3.30   0.988% *  0.5482% (0.98   0.02   0.02) =   0.007%
          QB    PHE   55 - HN    LEU   67  15.59 +/- 1.68   1.375% *  0.3842% (0.69   0.02   0.02) =   0.007%
          HD3   PRO   93 - HE3   TRP   27  18.55 +/- 3.16   2.711% *  0.0563% (0.10   0.02   0.02) =   0.002%
          HD3   PRO   68 - HE3   TRP   27  14.20 +/- 2.82   2.201% *  0.0537% (0.10   0.02   0.02) =   0.002%
          HB3   CYS   53 - HE3   TRP   27  18.93 +/- 2.86   1.615% *  0.0665% (0.12   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  19.26 +/- 3.13   1.269% *  0.0483% (0.09   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  17.14 +/- 3.41   2.099% *  0.0289% (0.05   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HE3   TRP   27  22.58 +/- 4.70   0.867% *  0.0689% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 3.1, residual support = 9.45:
          QE    LYS+  66 - HN    LEU   67   5.51 +/- 0.85  23.959% * 74.5807% (0.53   4.83  15.23) =  51.061%  kept
          HA    ALA   64 - HN    LEU   67   3.29 +/- 0.59  69.084% * 24.7808% (0.65   1.31   3.42) =  48.920%  kept
          HB3   ASN   35 - HN    LEU   67  18.78 +/- 2.71   0.734% *  0.4903% (0.84   0.02   0.02) =   0.010%
          HA    ALA   64 - HE3   TRP   27  11.11 +/- 2.34   3.530% *  0.0477% (0.08   0.02   0.02) =   0.005%
          HB3   ASN   35 - HE3   TRP   27  12.30 +/- 0.79   1.628% *  0.0616% (0.10   0.02   0.02) =   0.003%
          QE    LYS+  66 - HE3   TRP   27  15.51 +/- 2.79   1.066% *  0.0388% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.609, support = 5.04, residual support = 58.1:
      O   HB2   LEU   67 - HN    LEU   67   3.22 +/- 0.56  45.351% * 82.3368% (0.61  10.0   5.11  60.39) =  94.178%  kept
          HG2   PRO   68 - HN    LEU   67   5.61 +/- 0.98  13.457% * 17.0829% (0.65   1.0   3.89  21.73) =   5.798%  kept
          HB    VAL   18 - HN    LEU   67  12.20 +/- 6.06   5.974% *  0.0463% (0.34   1.0   0.02   0.02) =   0.007%
          HB    ILE   19 - HN    LEU   67  13.60 +/- 3.71   2.742% *  0.0769% (0.57   1.0   0.02   0.02) =   0.005%
          HB    ILE   19 - HE3   TRP   27   8.11 +/- 2.47  11.805% *  0.0097% (0.07   1.0   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    LEU   67  14.84 +/- 1.76   0.621% *  0.1310% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   LEU  115 - HN    LEU   67  14.93 +/- 1.70   0.611% *  0.1284% (0.95   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HE3   TRP   27  11.41 +/- 3.39  10.839% *  0.0058% (0.04   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    LEU   67  16.60 +/- 2.42   0.798% *  0.0661% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HE3   TRP   27  15.17 +/- 3.53   2.453% *  0.0110% (0.08   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    LEU   67  17.28 +/- 3.25   0.908% *  0.0209% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  12.25 +/- 2.14   1.183% *  0.0104% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  20.62 +/- 3.75   0.364% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  18.03 +/- 3.15   0.353% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.44 +/- 3.38   0.345% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.32 +/- 0.30   1.560% *  0.0034% (0.02   1.0   0.02   0.49) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.64 +/- 3.27   0.317% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  22.00 +/- 4.38   0.321% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.07 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.924, support = 4.79, residual support = 13.7:
          QB    LYS+  66 - HN    LEU   67   3.13 +/- 0.47  49.986% * 72.8103% (0.95   5.11  15.23) =  89.439%  kept
          QB    LYS+  65 - HN    LEU   67   4.77 +/- 0.37  17.138% * 24.0591% (0.76   2.09   0.39) =  10.133%  kept
          HB    VAL   41 - HE3   TRP   27   8.23 +/- 2.42  10.849% *  1.3989% (0.10   0.92   0.11) =   0.373%  kept
          HB2   LEU   71 - HN    LEU   67   9.53 +/- 1.82   4.947% *  0.2187% (0.73   0.02   0.02) =   0.027%
          HB    VAL   41 - HN    LEU   67  12.64 +/- 1.73   0.958% *  0.2412% (0.80   0.02   0.02) =   0.006%
          HG2   PRO   93 - HN    LEU   67  16.83 +/- 3.92   0.752% *  0.2985% (0.99   0.02   0.02) =   0.006%
          HB2   LEU   71 - HE3   TRP   27  10.55 +/- 2.16   5.062% *  0.0275% (0.09   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LEU   67  13.63 +/- 4.18   1.513% *  0.0671% (0.22   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    LEU   67  16.76 +/- 2.41   0.518% *  0.1949% (0.65   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   67  18.03 +/- 2.16   0.375% *  0.2613% (0.87   0.02   0.02) =   0.002%
          HG    LEU  123 - HN    LEU   67  16.03 +/- 4.26   0.698% *  0.1130% (0.38   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HE3   TRP   27  14.51 +/- 3.52   1.341% *  0.0328% (0.11   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   67  19.46 +/- 3.01   0.317% *  0.1130% (0.38   0.02   0.02) =   0.001%
          QB    LYS+  66 - HE3   TRP   27  13.89 +/- 2.57   0.874% *  0.0358% (0.12   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  12.64 +/- 2.70   1.148% *  0.0245% (0.08   0.02   0.02) =   0.001%
          QB    LYS+  65 - HE3   TRP   27  13.37 +/- 2.37   0.903% *  0.0289% (0.10   0.02   0.02) =   0.001%
          HG2   PRO   93 - HE3   TRP   27  18.07 +/- 2.71   0.514% *  0.0375% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  21.53 +/- 6.00   0.930% *  0.0142% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  13.42 +/- 2.67   0.968% *  0.0084% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  22.17 +/- 3.13   0.208% *  0.0142% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.539, support = 5.33, residual support = 52.8:
      O   HB3   LEU   67 - HN    LEU   67   3.20 +/- 0.62  27.587% * 36.8813% (0.25  10.0   4.81  60.39) =  47.675%  kept
          HG    LEU   67 - HN    LEU   67   3.92 +/- 0.73  17.053% * 44.4383% (1.00   1.0   6.02  60.39) =  35.510%  kept
          QG    LYS+  66 - HN    LEU   67   3.74 +/- 0.76  20.155% * 16.8988% (0.41   1.0   5.56  15.23) =  15.960%  kept
          HG    LEU   73 - HE3   TRP   27   6.54 +/- 4.39  19.934% *  0.8810% (0.08   1.0   1.56  13.44) =   0.823%  kept
          HG    LEU   40 - HN    LEU   67   9.23 +/- 1.30   1.455% *  0.1466% (0.99   1.0   0.02   0.02) =   0.010%
          HG    LEU   73 - HN    LEU   67  11.39 +/- 2.10   1.238% *  0.0897% (0.61   1.0   0.02   0.02) =   0.005%
          HB3   LEU   40 - HN    LEU   67  10.58 +/- 1.87   1.408% *  0.0663% (0.45   1.0   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    LEU   67   7.74 +/- 0.72   2.250% *  0.0228% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    LEU   67  14.02 +/- 1.69   0.341% *  0.1466% (0.99   1.0   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LEU   67  14.75 +/- 3.08   0.342% *  0.1016% (0.69   1.0   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LEU   67  14.31 +/- 1.64   0.342% *  0.1016% (0.69   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HE3   TRP   27  10.29 +/- 2.14   1.520% *  0.0184% (0.12   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HE3   TRP   27  12.27 +/- 2.37   0.665% *  0.0186% (0.13   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   67  21.20 +/- 2.27   0.113% *  0.1074% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HE3   TRP   27  11.24 +/- 2.64   1.295% *  0.0083% (0.06   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HE3   TRP   27  16.51 +/- 3.77   0.512% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  18.40 +/- 4.75   0.516% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  17.31 +/- 3.26   0.323% *  0.0184% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  12.20 +/- 2.77   1.624% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  17.83 +/- 3.50   0.344% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  14.26 +/- 2.36   0.433% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  12.45 +/- 1.96   0.550% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.31, support = 4.18, residual support = 59.7:
          QD1   LEU   67 - HN    LEU   67   3.57 +/- 0.82  41.672% * 89.6696% (0.31   4.22  60.39) =  98.849%  kept
          QD2   LEU   71 - HN    LEU   67   8.20 +/- 1.51  10.436% *  1.3280% (0.97   0.02   0.02) =   0.367%  kept
          HG3   LYS+  74 - HE3   TRP   27  11.19 +/- 3.03   3.081% *  3.4092% (0.07   0.75   0.02) =   0.278%  kept
          QG2   ILE  119 - HN    LEU   67  11.47 +/- 3.17   4.248% *  1.3280% (0.97   0.02   0.02) =   0.149%  kept
          QD2   LEU   71 - HE3   TRP   27   9.11 +/- 2.00   7.259% *  0.7076% (0.12   0.08   0.02) =   0.136%  kept
          HG3   LYS+  74 - HN    LEU   67  10.72 +/- 3.26   3.918% *  0.7240% (0.53   0.02   0.02) =   0.075%
          QD2   LEU   40 - HN    LEU   67   8.89 +/- 1.54   5.608% *  0.3826% (0.28   0.02   0.02) =   0.057%
          QD1   ILE  103 - HN    LEU   67  15.26 +/- 2.03   0.730% *  1.3730% (1.00   0.02   0.02) =   0.027%
          QG2   ILE  119 - HE3   TRP   27  16.13 +/- 4.69   3.812% *  0.1669% (0.12   0.02   0.02) =   0.017%
          QG2   ILE  103 - HN    LEU   67  14.45 +/- 2.09   0.902% *  0.5657% (0.41   0.02   0.02) =   0.013%
          QD2   LEU   40 - HE3   TRP   27   9.26 +/- 2.44   9.321% *  0.0481% (0.03   0.02   0.02) =   0.012%
          QD1   ILE  103 - HE3   TRP   27  11.53 +/- 2.25   2.158% *  0.1726% (0.13   0.02   0.02) =   0.010%
          QD1   LEU   67 - HE3   TRP   27   9.43 +/- 1.92   4.449% *  0.0534% (0.04   0.02   0.02) =   0.006%
          QG2   ILE  103 - HE3   TRP   27  12.08 +/- 2.55   2.406% *  0.0711% (0.05   0.02   0.02) =   0.005%
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.06, residual support = 29.9:
      O   HA    LYS+  65 - HN    LYS+  66   3.55 +/- 0.07  82.064% * 98.9277% (0.61  10.0   6.06  29.88) =  99.971%  kept
          HA2   GLY   16 - HN    LYS+  66  16.02 +/- 5.47   5.217% *  0.1120% (0.69   1.0   0.02   0.02) =   0.007%
          QB    SER   48 - HN    LYS+  66  16.43 +/- 4.88   3.425% *  0.1617% (0.99   1.0   0.02   0.02) =   0.007%
          QB    SER  117 - HN    LYS+  66  15.10 +/- 2.69   3.040% *  0.0923% (0.57   1.0   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    LYS+  66  15.81 +/- 3.36   1.505% *  0.1574% (0.97   1.0   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    LYS+  66  18.45 +/- 4.15   1.680% *  0.1362% (0.84   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    LYS+  66  15.76 +/- 3.08   1.476% *  0.1543% (0.95   1.0   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    LYS+  66  16.79 +/- 3.19   1.223% *  0.1463% (0.90   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    LYS+  66  22.30 +/- 2.40   0.370% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.17, residual support = 6.29:
          HA    LEU   63 - HN    LYS+  66   3.74 +/- 0.50  97.938% * 98.9536% (0.99   2.17   6.29) =  99.988%  kept
          HB2   HIS   22 - HN    LYS+  66  18.32 +/- 4.00   1.364% *  0.6331% (0.69   0.02   0.02) =   0.009%
          HA2   GLY  101 - HN    LYS+  66  20.98 +/- 2.14   0.698% *  0.4132% (0.45   0.02   0.02) =   0.003%
    Distance limit 4.08 A violated in 0 structures by 0.08 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.834, support = 4.53, residual support = 25.6:
          HA    ALA   64 - HN    LYS+  66   3.92 +/- 0.43  58.540% * 75.1551% (0.95   4.35   8.71) =  84.531%  kept
          QE    LYS+  66 - HN    LYS+  66   4.79 +/- 0.47  34.977% * 22.6768% (0.22   5.57 119.58) =  15.240%  kept
          HB2   PHE   72 - HN    LYS+  66   9.16 +/- 1.36   5.958% *  1.9902% (0.22   0.49   0.91) =   0.228%  kept
          HB3   ASN   35 - HN    LYS+  66  20.45 +/- 2.64   0.525% *  0.1779% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.706, support = 5.45, residual support = 104.1:
      O   QB    LYS+  66 - HN    LYS+  66   2.35 +/- 0.14  64.956% * 68.3253% (0.65  10.0   5.34 119.58) =  82.782%  kept
          QB    LYS+  65 - HN    LYS+  66   3.18 +/- 0.33  29.536% * 31.2356% (0.99   1.0   5.97  29.88) =  17.208%  kept
          HB2   LEU   71 - HN    LYS+  66  10.90 +/- 2.15   3.543% *  0.1035% (0.98   1.0   0.02   0.02) =   0.007%
          HG2   PRO   93 - HN    LYS+  66  16.03 +/- 4.36   0.706% *  0.0947% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  66  14.26 +/- 3.95   0.595% *  0.0556% (0.53   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  66  14.00 +/- 1.67   0.352% *  0.0474% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  19.11 +/- 2.09   0.133% *  0.1054% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  17.70 +/- 2.50   0.179% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.48, support = 4.23, residual support = 71.8:
          QG    LYS+  66 - HN    LYS+  66   2.80 +/- 0.53  73.300% * 18.3963% (0.15   4.75 119.58) =  54.208%  kept
          HG    LEU   67 - HN    LYS+  66   5.58 +/- 1.07  14.371% * 79.0362% (0.87   3.63  15.23) =  45.662%  kept
          HG    LEU   40 - HN    LYS+  66  10.67 +/- 1.36   2.003% *  0.3839% (0.76   0.02   0.02) =   0.031%
          HB3   LEU   40 - HN    LYS+  66  12.13 +/- 2.01   1.551% *  0.4023% (0.80   0.02   0.02) =   0.025%
          HB2   LYS+  74 - HN    LYS+  66  10.59 +/- 2.50   4.395% *  0.0994% (0.20   0.02   0.02) =   0.018%
          HG    LEU  115 - HN    LYS+  66  13.28 +/- 1.41   0.883% *  0.4848% (0.97   0.02   0.02) =   0.017%
          QB    ALA  120 - HN    LYS+  66  14.11 +/- 2.66   0.767% *  0.4848% (0.97   0.02   0.02) =   0.015%
          HB3   LEU  115 - HN    LYS+  66  13.09 +/- 1.50   0.947% *  0.3839% (0.76   0.02   0.02) =   0.015%
          HG    LEU   73 - HN    LYS+  66  12.04 +/- 2.20   1.587% *  0.1397% (0.28   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HN    LYS+  66  22.45 +/- 2.35   0.196% *  0.1886% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.67, residual support = 8.71:
          QB    ALA   64 - HN    LYS+  66   4.49 +/- 0.27 100.000% *100.0000% (0.95   3.67   8.71) = 100.000%  kept
    Distance limit 4.54 A violated in 0 structures by 0.09 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 158.8:
      O   HA    LYS+  65 - HN    LYS+  65   2.78 +/- 0.07  90.464% * 99.3218% (0.64  10.0   6.08 158.79) =  99.993%  kept
          HA2   GLY   16 - HN    LYS+  65  15.86 +/- 5.60   2.044% *  0.1038% (0.67   1.0   0.02   0.02) =   0.002%
          HB    THR   94 - HN    LYS+  65  14.34 +/- 3.30   1.604% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LYS+  65  15.49 +/- 4.24   1.253% *  0.0822% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  15.50 +/- 2.30   0.668% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LYS+  65  17.34 +/- 3.57   0.733% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  16.51 +/- 1.99   0.530% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.42 +/- 1.87   1.113% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  16.55 +/- 3.26   0.812% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  21.35 +/- 2.50   0.235% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  19.87 +/- 2.07   0.292% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  22.35 +/- 3.57   0.252% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.649, support = 4.9, residual support = 29.2:
      O   HA    ALA   64 - HN    LYS+  65   3.52 +/- 0.06  76.443% * 94.6062% (0.65  10.0   4.92  29.24) =  99.130%  kept
          QE    LYS+  66 - HN    LYS+  65   6.75 +/- 0.70  12.016% *  4.5101% (0.15   1.0   4.05  29.88) =   0.743%  kept
          HB2   PHE   72 - HN    LYS+  65   7.92 +/- 1.50  11.044% *  0.8350% (0.15   1.0   0.75   0.02) =   0.126%  kept
          HB3   ASN   35 - HN    LYS+  65  20.47 +/- 2.15   0.496% *  0.0487% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 6.59, residual support = 154.8:
      O   QB    LYS+  65 - HN    LYS+  65   2.15 +/- 0.13  83.980% * 77.4204% (0.53  10.0   6.66 158.79) =  96.878%  kept
          QB    LYS+  66 - HN    LYS+  65   4.63 +/- 0.29   9.474% * 22.0725% (0.65   1.0   4.61  29.88) =   3.116%  kept
          HB2   LEU   71 - HN    LYS+  65  10.68 +/- 1.99   2.376% *  0.0736% (0.50   1.0   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    LYS+  65  14.73 +/- 4.23   1.447% *  0.1004% (0.68   1.0   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    LYS+  65  13.43 +/- 1.74   0.440% *  0.0811% (0.55   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65  13.81 +/- 4.23   1.292% *  0.0226% (0.15   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  17.00 +/- 2.29   0.236% *  0.0655% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  15.00 +/- 2.92   0.394% *  0.0380% (0.26   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  18.86 +/- 1.73   0.143% *  0.0879% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  17.04 +/- 2.66   0.218% *  0.0380% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.163, support = 4.85, residual support = 139.5:
          HG2   LYS+  65 - HN    LYS+  65   3.62 +/- 0.60  60.749% * 64.0016% (0.14   5.39 158.79) =  87.827%  kept
          HG    LEU   67 - HN    LYS+  65   6.78 +/- 1.27  17.188% * 30.4747% (0.36   0.97   0.39) =  11.832%  kept
          HB2   LYS+  74 - HN    LYS+  65   9.50 +/- 2.58   7.001% *  0.5842% (0.34   0.02   0.02) =   0.092%
          HB3   LEU   40 - HN    LYS+  65  12.23 +/- 1.64   2.642% *  1.1975% (0.69   0.02   0.02) =   0.071%
          HG    LEU  115 - HN    LYS+  65  12.12 +/- 1.39   2.168% *  1.1353% (0.65   0.02   0.02) =   0.056%
          QB    ALA  120 - HN    LYS+  65  13.79 +/- 1.72   1.597% *  1.1353% (0.65   0.02   0.02) =   0.041%
          HG    LEU   40 - HN    LYS+  65  10.54 +/- 1.19   3.531% *  0.4934% (0.28   0.02   0.02) =   0.039%
          HB3   LEU  115 - HN    LYS+  65  11.88 +/- 1.20   2.101% *  0.4934% (0.28   0.02   0.02) =   0.023%
          QG2   THR   26 - HN    LYS+  65  13.74 +/- 2.71   1.839% *  0.2993% (0.17   0.02   0.02) =   0.012%
          HD2   LYS+ 121 - HN    LYS+  65  15.12 +/- 2.27   1.182% *  0.1852% (0.11   0.02   0.02) =   0.005%
    Distance limit 3.80 A violated in 0 structures by 0.10 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.279, support = 4.21, residual support = 108.0:
          HG3   LYS+  65 - HN    LYS+  65   3.50 +/- 0.63  43.761% * 43.3267% (0.17   5.24 158.79) =  67.370%  kept
          HB2   LEU   63 - HN    LYS+  65   4.95 +/- 0.28  17.648% * 51.0974% (0.50   2.12   3.33) =  32.041%  kept
          HB3   ASP-  44 - HN    LYS+  65   8.56 +/- 3.24  14.776% *  0.5544% (0.58   0.02   0.02) =   0.291%  kept
          HB3   PRO   93 - HN    LYS+  65  12.91 +/- 3.92   5.764% *  0.6579% (0.68   0.02   0.02) =   0.135%  kept
          HB3   LEU   73 - HN    LYS+  65  10.22 +/- 2.18   9.154% *  0.2049% (0.21   0.02   0.02) =   0.067%
          HB    VAL   42 - HN    LYS+  65   8.99 +/- 1.38   3.280% *  0.1655% (0.17   0.02   0.02) =   0.019%
          HG    LEU   98 - HN    LYS+  65  15.57 +/- 2.25   0.663% *  0.6579% (0.68   0.02   0.02) =   0.015%
          QB    ALA  124 - HN    LYS+  65  16.93 +/- 2.65   0.612% *  0.6279% (0.65   0.02   0.02) =   0.014%
          QB    ALA   84 - HN    LYS+  65  16.82 +/- 2.53   0.508% *  0.6623% (0.69   0.02   0.02) =   0.012%
          HG3   LYS+ 106 - HN    LYS+  65  16.29 +/- 2.63   0.585% *  0.3492% (0.36   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - HN    LYS+  65  14.82 +/- 2.39   0.722% *  0.2729% (0.28   0.02   0.02) =   0.007%
          HB3   LEU   80 - HN    LYS+  65  17.99 +/- 2.95   0.433% *  0.4026% (0.42   0.02   0.02) =   0.006%
          HB2   LEU   31 - HN    LYS+  65  17.26 +/- 2.57   0.538% *  0.2976% (0.31   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - HN    LYS+  65  19.21 +/- 3.06   0.387% *  0.2491% (0.26   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HN    LYS+  65  17.08 +/- 2.46   0.491% *  0.1314% (0.14   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    LYS+  65  16.86 +/- 1.75   0.495% *  0.1162% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LYS+  65  22.49 +/- 1.90   0.184% *  0.2264% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.87, residual support = 29.2:
          QB    ALA   64 - HN    LYS+  65   2.94 +/- 0.18 100.000% *100.0000% (0.65   4.87  29.24) = 100.000%  kept
    Distance limit 3.46 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 = 0.743, residual support = 6.24:
          HA    ALA   61 - HN    ALA   64   3.87 +/- 0.58  68.610% * 95.1123% (0.95   0.75   6.30) =  99.077%  kept
          HD2   PRO   68 - HN    ALA   64   7.24 +/- 1.88  22.346% *  2.1470% (0.80   0.02   0.02) =   0.728%  kept
          HD3   PRO   58 - HN    ALA   64  10.16 +/- 1.00   5.080% *  1.7345% (0.65   0.02   0.02) =   0.134%  kept
          HA    VAL   75 - HN    ALA   64  10.88 +/- 1.39   3.964% *  1.0063% (0.38   0.02   0.02) =   0.061%
    Distance limit 4.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 4.21, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.79 +/- 0.07  74.974% * 99.0515% (0.95  10.0   4.22  20.61) =  99.760%  kept
          HB2   PHE   72 - HN    ALA   64   6.52 +/- 1.99  20.301% *  0.8742% (0.22   1.0   0.75  45.90) =   0.238%  kept
          QE    LYS+  66 - HN    ALA   64   7.62 +/- 1.13   4.457% *  0.0233% (0.22   1.0   0.02   8.71) =   0.001%
          HB3   ASN   35 - HN    ALA   64  19.51 +/- 2.04   0.269% *  0.0510% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.872, support = 5.12, residual support = 27.4:
          QB    LYS+  65 - HN    ALA   64   4.41 +/- 0.23  48.483% * 83.6678% (0.92   5.36  29.24) =  91.213%  kept
          QB    LYS+  66 - HN    ALA   64   5.61 +/- 0.59  25.562% * 15.0493% (0.34   2.61   8.71) =   8.650%  kept
          HB2   LEU   71 - HN    ALA   64   9.87 +/- 1.64   9.883% *  0.3199% (0.95   0.02   0.02) =   0.071%
          HG2   PRO   93 - HN    ALA   64  13.79 +/- 3.32   6.946% *  0.2051% (0.61   0.02   0.02) =   0.032%
          HB3   GLN   17 - HN    ALA   64  13.63 +/- 3.40   3.268% *  0.2824% (0.84   0.02   0.80) =   0.021%
          QB    LYS+ 102 - HN    ALA   64  17.48 +/- 1.57   0.896% *  0.2824% (0.84   0.02   0.02) =   0.006%
          HB    VAL   41 - HN    ALA   64  11.98 +/- 1.51   2.785% *  0.0669% (0.20   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HN    ALA   64  14.60 +/- 1.74   1.674% *  0.0669% (0.20   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    ALA   64  20.76 +/- 1.89   0.503% *  0.0592% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.68 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 = 53.6:
          HB2   LEU   63 - HN    ALA   64   3.16 +/- 0.44  55.103% * 82.6117% (0.73   7.58  54.66) =  95.772%  kept
          HG3   LYS+  65 - HN    ALA   64   5.75 +/- 0.88  13.133% * 14.8658% (0.25   3.97  29.24) =   4.108%  kept
          HB3   ASP-  44 - HN    ALA   64   7.33 +/- 2.15   9.855% *  0.2508% (0.84   0.02   0.02) =   0.052%
          HB3   PRO   93 - HN    ALA   64  11.87 +/- 3.00   3.969% *  0.2976% (0.99   0.02   0.02) =   0.025%
          HB    VAL   42 - HN    ALA   64   7.24 +/- 1.28   6.904% *  0.0749% (0.25   0.02   0.02) =   0.011%
          HB3   LEU   73 - HN    ALA   64   9.50 +/- 2.03   3.841% *  0.0927% (0.31   0.02   4.67) =   0.007%
          HG    LEU   98 - HN    ALA   64  13.99 +/- 2.06   1.042% *  0.2976% (0.99   0.02   0.02) =   0.007%
          QB    ALA  124 - HN    ALA   64  16.45 +/- 2.43   0.514% *  0.2840% (0.95   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    ALA   64  16.10 +/- 1.65   0.473% *  0.2996% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    ALA   64  14.55 +/- 2.14   0.756% *  0.1580% (0.53   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    ALA   64  13.93 +/- 2.12   0.954% *  0.1234% (0.41   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   64  16.06 +/- 2.70   0.834% *  0.1346% (0.45   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    ALA   64  17.29 +/- 2.46   0.458% *  0.1821% (0.61   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    ALA   64  18.13 +/- 2.37   0.510% *  0.1127% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  15.58 +/- 1.77   0.776% *  0.0526% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   64  16.17 +/- 2.16   0.614% *  0.0594% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   64  20.97 +/- 1.71   0.263% *  0.1024% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 6.67, residual support = 54.3:
          HG    LEU   63 - HN    ALA   64   3.59 +/- 1.25  63.662% * 95.8272% (0.53   6.71  54.66) =  99.363%  kept
          QD1   ILE  119 - HN    ALA   64   7.67 +/- 2.24  23.573% *  0.9185% (0.20   0.17   0.02) =   0.353%  kept
          QG2   VAL   24 - HN    ALA   64  14.29 +/- 3.88   7.071% *  2.1808% (0.38   0.21   0.02) =   0.251%  kept
          HG3   LYS+ 112 - HN    ALA   64  13.96 +/- 2.26   1.881% *  0.5010% (0.92   0.02   0.02) =   0.015%
          QG2   VAL  108 - HN    ALA   64  14.10 +/- 1.43   1.786% *  0.3292% (0.61   0.02   0.02) =   0.010%
          HB2   LEU  104 - HN    ALA   64  13.53 +/- 2.05   2.026% *  0.2433% (0.45   0.02   0.02) =   0.008%
    Distance limit 4.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.72, residual support = 54.6:
          HB3   LEU   63 - HN    ALA   64   3.61 +/- 0.59  43.722% * 99.3326% (0.97   6.73  54.66) =  99.829%  kept
          QG1   VAL   70 - HN    ALA   64   5.38 +/- 1.85  29.646% *  0.1257% (0.41   0.02   0.02) =   0.086%
          QG1   VAL   18 - HN    ALA   64   9.01 +/- 5.17  19.344% *  0.1608% (0.53   0.02   5.77) =   0.072%
          QD1   LEU   71 - HN    ALA   64   9.42 +/- 1.72   4.361% *  0.0681% (0.22   0.02   0.02) =   0.007%
          QG1   VAL  108 - HN    ALA   64  15.42 +/- 1.37   0.661% *  0.2448% (0.80   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    ALA   64  11.32 +/- 2.51   2.267% *  0.0681% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.11 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 = 0.844, support = 6.15, residual support = 54.6:
          QD2   LEU   63 - HN    ALA   64   3.58 +/- 1.06  43.238% * 60.4598% (1.00   5.86  54.66) =  64.173%  kept
          QD1   LEU   63 - HN    ALA   64   3.84 +/- 0.82  37.343% * 39.0313% (0.57   6.68  54.66) =  35.781%  kept
          QD1   LEU   73 - HN    ALA   64   8.95 +/- 2.04   9.119% *  0.1168% (0.57   0.02   4.67) =   0.026%
          QG2   VAL   41 - HN    ALA   64  10.44 +/- 1.22   2.462% *  0.1251% (0.61   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    ALA   64   9.17 +/- 1.51   3.923% *  0.0514% (0.25   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ALA   64  11.57 +/- 1.46   1.810% *  0.0848% (0.41   0.02   0.02) =   0.004%
          QD1   LEU   80 - HN    ALA   64  14.39 +/- 2.89   1.111% *  0.0848% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    ALA   64  14.34 +/- 2.07   0.995% *  0.0459% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.6:
      O   QB    ALA   64 - HN    ALA   64   2.06 +/- 0.08 100.000% *100.0000% (0.95  10.0   4.22  20.61) = 100.000%  kept
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.3:
      O   HA    ASP-  62 - HN    LEU   63   3.57 +/- 0.05  95.421% * 99.8321% (0.97  10.0   5.24  42.33) =  99.997%  kept
          HB    THR   26 - HN    LEU   63  17.93 +/- 3.85   1.722% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER  117 - HN    LEU   63  13.06 +/- 1.90   2.497% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  23.54 +/- 2.14   0.360% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.685, support = 1.5, residual support = 10.4:
          HA    PHE   60 - HN    LEU   63   3.46 +/- 0.31  86.733% * 92.4872% (0.69   1.50  10.37) =  99.789%  kept
          QB    SER  117 - HN    LEU   63  11.94 +/- 1.92   3.675% *  1.7794% (0.99   0.02   0.02) =   0.081%
          HB    THR   94 - HN    LEU   63  13.38 +/- 2.49   2.313% *  1.2332% (0.69   0.02   0.02) =   0.035%
          HA    LYS+ 121 - HN    LEU   63  14.19 +/- 1.71   1.572% *  1.3720% (0.76   0.02   0.02) =   0.027%
          QB    SER   48 - HN    LEU   63  15.33 +/- 3.53   1.952% *  1.0164% (0.57   0.02   0.02) =   0.025%
          HA2   GLY   51 - HN    LEU   63  16.01 +/- 2.90   1.312% *  1.4995% (0.84   0.02   0.02) =   0.024%
          HA    ALA  120 - HN    LEU   63  12.82 +/- 2.02   2.443% *  0.6124% (0.34   0.02   0.02) =   0.019%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 239.9:
      O   HA    LEU   63 - HN    LEU   63   2.80 +/- 0.08  97.728% * 99.8508% (0.76  10.0   7.54 239.87) =  99.999%  kept
          HB2   HIS   22 - HN    LEU   63  17.59 +/- 4.78   2.017% *  0.0446% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY  101 - HN    LEU   63  20.87 +/- 1.83   0.254% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 42.3:
          HB2   ASP-  62 - HN    LEU   63   3.62 +/- 0.44  95.681% * 99.7488% (0.98   5.24  42.33) =  99.994%  kept
          HB2   PRO   52 - HN    LEU   63  15.24 +/- 2.56   2.164% *  0.1743% (0.45   0.02   0.02) =   0.004%
          QB    ASP- 113 - HN    LEU   63  13.66 +/- 1.43   2.156% *  0.0769% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HB3   ASP-  62 - HN    LEU   63   3.12 +/- 0.71  96.444% * 98.9505% (0.95   5.24  42.33) =  99.988%  kept
          HG3   MET   96 - HN    LEU   63  13.95 +/- 2.05   2.174% *  0.3689% (0.92   0.02   0.28) =   0.008%
          HB3   ASP-  86 - HN    LEU   63  20.69 +/- 2.14   0.598% *  0.2262% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    LEU   63  22.47 +/- 2.86   0.332% *  0.2902% (0.73   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    LEU   63  21.32 +/- 3.89   0.452% *  0.1643% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.10 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 8.06, residual support = 239.8:
      O   HB2   LEU   63 - HN    LEU   63   2.17 +/- 0.20  85.033% * 98.8228% (0.73  10.0   8.06 239.87) =  99.988%  kept
          HB3   ASP-  44 - HN    LEU   63   8.38 +/- 2.20   2.542% *  0.1137% (0.84   1.0   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LEU   63  11.65 +/- 3.28   1.636% *  0.1349% (0.99   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   63   6.22 +/- 1.02   5.010% *  0.0339% (0.25   1.0   0.02   3.33) =   0.002%
          HB    VAL   42 - HN    LEU   63   8.98 +/- 1.39   1.457% *  0.0339% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   63  12.17 +/- 2.16   0.879% *  0.0559% (0.41   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   63  15.17 +/- 2.11   0.344% *  0.1287% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   63  11.58 +/- 2.30   0.982% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.44 +/- 2.14   0.305% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  17.01 +/- 1.90   0.225% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  14.89 +/- 2.11   0.335% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  17.78 +/- 3.22   0.272% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.78 +/- 2.27   0.267% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  18.79 +/- 2.47   0.154% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  16.84 +/- 2.12   0.260% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  18.11 +/- 2.33   0.200% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.03 +/- 1.97   0.098% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 7.53, residual support = 238.6:
          HG    LEU   63 - HN    LEU   63   3.45 +/- 0.63  83.010% * 94.6420% (1.00   7.57 239.87) =  99.446%  kept
          QG2   VAL   24 - HN    LEU   63  15.40 +/- 4.68   8.362% *  5.1320% (0.98   0.42   1.19) =   0.543%  kept
          HG3   LYS+ 112 - HN    LEU   63  12.37 +/- 2.41   3.215% *  0.1821% (0.73   0.02   0.02) =   0.007%
          QG1   VAL  107 - HN    LEU   63   9.47 +/- 1.47   5.413% *  0.0439% (0.18   0.02   0.24) =   0.003%
    Distance limit 3.33 A violated in 0 structures by 0.32 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.6, residual support = 239.8:
      O   HB3   LEU   63 - HN    LEU   63   3.32 +/- 0.19  63.232% * 99.7743% (0.97  10.0   7.60 239.87) =  99.977%  kept
          QG1   VAL   70 - HN    LEU   63   6.76 +/- 1.96  17.521% *  0.0425% (0.41   1.0   0.02   0.02) =   0.012%
          QG1   VAL   18 - HN    LEU   63  10.11 +/- 3.99   7.026% *  0.0544% (0.53   1.0   0.02   0.02) =   0.006%
          QD1   LEU  123 - HN    LEU   63   9.76 +/- 2.45   5.917% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    LEU   63  10.91 +/- 2.37   5.554% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   63  15.12 +/- 1.59   0.751% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 6.95, residual support = 239.5:
          QD1   LEU   63 - HN    LEU   63   3.50 +/- 0.70  46.902% * 47.1348% (0.90   6.45 239.87) =  53.284%  kept
          QD2   LEU   63 - HN    LEU   63   3.83 +/- 0.66  37.670% * 51.2845% (0.84   7.54 239.87) =  46.563%  kept
          QD1   LEU   73 - HN    LEU   63  10.61 +/- 2.41   4.470% *  1.2570% (0.90   0.17   0.02) =   0.135%  kept
          QD2   LEU  115 - HN    LEU   63   7.79 +/- 1.27   5.330% *  0.0922% (0.57   0.02   0.02) =   0.012%
          QD1   LEU  104 - HN    LEU   63  11.91 +/- 2.11   1.689% *  0.0503% (0.31   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    LEU   63  12.09 +/- 1.13   1.342% *  0.0453% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   63  15.73 +/- 2.04   0.680% *  0.0857% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    LEU   63  12.95 +/- 1.52   1.055% *  0.0251% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  15.73 +/- 2.94   0.862% *  0.0251% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.83, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.45 +/- 0.32  98.534% * 99.9341% (0.84  10.0   3.83  40.99) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  14.59 +/- 2.15   0.643% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  13.26 +/- 1.40   0.822% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.83, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.72 +/- 0.48  97.533% * 99.7231% (0.82  10.0   3.83  40.99) =  99.998%  kept
          HG3   MET   96 - HN    ASP-  62  14.96 +/- 2.86   1.689% *  0.0973% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HN    ASP-  62  21.46 +/- 2.50   0.300% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  24.00 +/- 2.92   0.200% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  22.54 +/- 3.55   0.278% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.341, support = 0.798, residual support = 0.738:
          QB    LYS+  66 - HN    ASP-  62   7.05 +/- 1.33  30.916% * 69.7383% (0.32   0.86   0.79) =  92.891%  kept
          HG    LEU  123 - HN    ASP-  62  12.58 +/- 1.91   8.598% *  4.0984% (0.82   0.02   0.02) =   1.518%  kept
          HG3   PRO   68 - HN    ASP-  62  11.94 +/- 2.35   9.218% *  2.8028% (0.56   0.02   0.02) =   1.113%  kept
          HG2   ARG+  54 - HN    ASP-  62  11.40 +/- 2.19  10.118% *  2.4529% (0.49   0.02   0.02) =   1.069%  kept
          HB3   PRO   52 - HN    ASP-  62  14.32 +/- 1.85   4.684% *  4.0984% (0.82   0.02   0.02) =   0.827%  kept
          HB3   ASP- 105 - HN    ASP-  62  13.81 +/- 3.00   7.795% *  2.2795% (0.45   0.02   0.02) =   0.765%  kept
          HB    VAL   41 - HN    ASP-  62  15.35 +/- 1.82   3.528% *  2.4529% (0.49   0.02   0.02) =   0.373%  kept
          HG2   PRO   93 - HN    ASP-  62  13.23 +/- 3.60  11.306% *  0.7588% (0.15   0.02   0.02) =   0.370%  kept
          HG12  ILE  103 - HN    ASP-  62  17.64 +/- 2.59   2.477% *  3.1461% (0.63   0.02   0.02) =   0.336%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.42 +/- 2.35   5.100% *  1.0803% (0.21   0.02   0.02) =   0.237%  kept
          HB    ILE  103 - HN    ASP-  62  19.35 +/- 2.71   1.833% *  2.6278% (0.52   0.02   0.02) =   0.208%  kept
          QB    LYS+  33 - HN    ASP-  62  18.82 +/- 1.96   1.995% *  1.7812% (0.35   0.02   0.02) =   0.153%  kept
          HB3   GLN   90 - HN    ASP-  62  22.04 +/- 2.92   1.150% *  1.4779% (0.29   0.02   0.02) =   0.073%
          QB    LYS+  81 - HN    ASP-  62  20.93 +/- 2.73   1.283% *  1.2046% (0.24   0.02   0.02) =   0.067%
    Distance limit 4.37 A violated in 13 structures by 1.96 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 2.74, residual support = 8.02:
          QB    ALA   61 - HN    ASP-  62   2.77 +/- 0.29  79.160% * 77.4213% (0.80   2.79   8.18) =  97.931%  kept
          QG    LYS+  66 - HN    ASP-  62   6.92 +/- 1.88   8.400% * 13.6830% (0.52   0.75   0.79) =   1.837%  kept
          HB3   LEU   67 - HN    ASP-  62  10.09 +/- 1.66   2.029% *  5.4921% (0.69   0.23   0.02) =   0.178%  kept
          HG    LEU   73 - HN    ASP-  62  12.44 +/- 3.20   3.418% *  0.2473% (0.35   0.02   0.02) =   0.014%
          HB3   LYS+  74 - HN    ASP-  62  11.33 +/- 2.91   2.703% *  0.2928% (0.42   0.02   0.02) =   0.013%
          QB    ALA  110 - HN    ASP-  62  13.43 +/- 1.98   0.978% *  0.6016% (0.86   0.02   0.02) =   0.009%
          HG12  ILE   19 - HN    ASP-  62  15.11 +/- 3.04   0.828% *  0.5963% (0.85   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HN    ASP-  62  14.31 +/- 1.92   0.732% *  0.3165% (0.45   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    ASP-  62  19.37 +/- 2.98   0.287% *  0.6002% (0.86   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  14.65 +/- 2.39   0.971% *  0.1500% (0.21   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ASP-  62  19.17 +/- 2.45   0.287% *  0.4132% (0.59   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  23.13 +/- 3.10   0.206% *  0.1857% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.833, support = 2.39, residual support = 4.43:
          QB    LYS+  65 - HN    LEU   63   4.61 +/- 0.49  44.417% * 48.7843% (0.76   2.65   3.33) =  61.029%  kept
          QB    LYS+  66 - HN    LEU   63   5.65 +/- 1.05  29.384% * 46.1465% (0.95   2.03   6.29) =  38.190%  kept
          HB2   LEU   71 - HN    LEU   63  11.80 +/- 2.23   7.126% *  3.0084% (0.73   0.17   0.02) =   0.604%  kept
          HG2   PRO   93 - HN    LEU   63  13.39 +/- 3.71   7.450% *  0.4773% (0.99   0.02   0.02) =   0.100%  kept
          HB    VAL   41 - HN    LEU   63  13.88 +/- 1.36   1.807% *  0.3856% (0.80   0.02   0.02) =   0.020%
          HG    LEU  123 - HN    LEU   63  12.42 +/- 2.57   3.533% *  0.1807% (0.38   0.02   0.02) =   0.018%
          HG12  ILE  103 - HN    LEU   63  16.44 +/- 1.92   1.416% *  0.3115% (0.65   0.02   0.02) =   0.012%
          QB    LYS+ 102 - HN    LEU   63  18.36 +/- 1.72   0.908% *  0.4177% (0.87   0.02   0.02) =   0.011%
          HB3   PRO   52 - HN    LEU   63  14.95 +/- 2.46   2.046% *  0.1807% (0.38   0.02   0.02) =   0.010%
          HB3   GLN   17 - HN    LEU   63  14.81 +/- 2.56   1.914% *  0.1072% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.73 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 = 5.0, residual support = 41.6:
      O   HA    PHE   60 - HN    ALA   61   3.62 +/- 0.03  86.146% * 99.3945% (0.69  10.0   5.00  41.59) =  99.984%  kept
          QB    SER  117 - HN    ALA   61  12.40 +/- 1.47   2.715% *  0.1434% (0.99   1.0   0.02   0.02) =   0.005%
          QB    SER   48 - HN    ALA   61  13.72 +/- 3.33   3.856% *  0.0819% (0.57   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    ALA   61  12.86 +/- 2.33   2.637% *  0.0994% (0.69   1.0   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    ALA   61  13.82 +/- 1.79   1.937% *  0.1209% (0.84   1.0   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    ALA   61  15.61 +/- 1.43   1.177% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  14.07 +/- 0.88   1.533% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 2.75, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.77 +/- 0.06  85.977% * 94.5262% (0.95  10.0   2.75  17.91) =  99.260%  kept
          HD3   PRO   58 - HN    ALA   61   5.88 +/- 1.02  11.278% *  5.3563% (0.65   1.0   1.66   0.87) =   0.738%  kept
          HD2   PRO   68 - HN    ALA   61  11.57 +/- 2.01   1.571% *  0.0800% (0.80   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    ALA   61  12.58 +/- 2.23   1.173% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.88, residual support = 41.6:
          HB2   PHE   60 - HN    ALA   61   3.33 +/- 0.54  89.962% * 99.4660% (0.84   4.88  41.59) =  99.986%  kept
          HB    THR   46 - HN    ALA   61  10.47 +/- 3.11   9.173% *  0.0965% (0.20   0.02   0.02) =   0.010%
          HB2   TRP   87 - HN    ALA   61  18.26 +/- 3.15   0.864% *  0.4374% (0.90   0.02   0.02) =   0.004%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 41.6:
          HB3   PHE   60 - HN    ALA   61   3.25 +/- 0.63  86.092% * 99.1926% (0.98   5.00  41.59) =  99.970%  kept
          HB2   PHE   97 - HN    ALA   61  13.26 +/- 3.47   6.724% *  0.1664% (0.41   0.02   0.02) =   0.013%
          HB3   TRP   27 - HN    ALA   61  15.63 +/- 3.42   5.003% *  0.1519% (0.38   0.02   0.02) =   0.009%
          QE    LYS+ 106 - HN    ALA   61  15.67 +/- 2.62   1.748% *  0.3511% (0.87   0.02   0.02) =   0.007%
          HB2   ASN   35 - HN    ALA   61  22.80 +/- 2.85   0.433% *  0.1381% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.15 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   2.05 +/- 0.08  90.787% * 99.0576% (0.73  10.0   4.00  17.91) =  99.990%  kept
          QG    LYS+  66 - HN    ALA   61   8.53 +/- 1.53   1.817% *  0.1337% (0.98   1.0   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    ALA   61   8.77 +/- 1.49   2.491% *  0.0827% (0.61   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ALA   61  12.08 +/- 3.32   1.353% *  0.1352% (0.99   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   61  11.07 +/- 1.83   0.788% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   61  12.72 +/- 2.72   0.930% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  11.43 +/- 1.47   0.636% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  12.71 +/- 2.09   0.518% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  15.10 +/- 3.71   0.410% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.01 +/- 3.45   0.096% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.55 +/- 3.37   0.173% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.755, support = 6.08, residual support = 39.4:
          HD3   PRO   58 - HN    PHE   59   2.51 +/- 0.50  93.210% * 95.4229% (0.76   6.09  39.50) =  99.747%  kept
          HA    ALA   61 - HN    PHE   59   7.07 +/- 0.43   5.304% *  4.2054% (0.26   0.77   0.57) =   0.250%  kept
          HA    VAL   75 - HN    PHE   59  15.76 +/- 2.29   0.581% *  0.3084% (0.74   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    PHE   59  13.92 +/- 2.00   0.904% *  0.0632% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.35, residual support = 57.8:
      O   HB2   PHE   59 - HN    PHE   59   2.61 +/- 0.52  86.193% * 97.1707% (0.76  10.0   4.35  57.87) =  99.808%  kept
          QB    PHE   55 - HN    PHE   59   7.56 +/- 0.73   6.167% *  2.5295% (0.73   1.0   0.55   0.02) =   0.186%  kept
          HB3   CYS   53 - HN    PHE   59   8.94 +/- 1.31   3.477% *  0.0673% (0.53   1.0   0.02   0.02) =   0.003%
          HD3   PRO   93 - HN    PHE   59  13.87 +/- 2.96   1.549% *  0.0850% (0.67   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    PHE   59  10.69 +/- 1.65   1.829% *  0.0595% (0.47   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   59  13.86 +/- 1.96   0.785% *  0.0879% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.04 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.97, residual support = 57.9:
      O   HB3   PHE   59 - HN    PHE   59   2.46 +/- 0.36  94.275% * 99.9594% (0.67  10.0   4.97  57.87) =  99.999%  kept
          HB2   PHE   95 - HN    PHE   59   9.63 +/- 1.92   4.994% *  0.0178% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   TRP   49 - HN    PHE   59  16.47 +/- 2.81   0.730% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.204, support = 6.41, residual support = 38.5:
      O   HB2   PRO   58 - HN    PHE   59   3.55 +/- 0.53  70.416% * 91.8794% (0.19  10.0   6.57  39.50) =  97.349%  kept
          HB2   GLN  116 - HN    PHE   59   7.53 +/- 2.14  24.801% *  7.0530% (0.64   1.0   0.46   0.52) =   2.632%  kept
          HB3   PHE   97 - HN    PHE   59  13.88 +/- 3.31   3.520% *  0.2531% (0.53   1.0   0.02   0.02) =   0.013%
          QG    GLU-  79 - HN    PHE   59  19.50 +/- 2.98   0.596% *  0.2950% (0.62   1.0   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HN    PHE   59  23.56 +/- 2.95   0.338% *  0.3401% (0.71   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    PHE   59  23.79 +/- 3.12   0.328% *  0.1794% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.38 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 = 39.5:
          HG2   PRO   58 - HN    PHE   59   2.92 +/- 0.37  91.734% * 98.7267% (0.76   6.29  39.50) =  99.987%  kept
          HG3   PRO   52 - HN    PHE   59  13.35 +/- 1.53   1.486% *  0.3138% (0.76   0.02   0.02) =   0.005%
          HB2   PRO   93 - HN    PHE   59  11.76 +/- 3.05   2.047% *  0.1316% (0.32   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    PHE   59  10.22 +/- 0.98   2.663% *  0.0561% (0.14   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    PHE   59  23.15 +/- 3.53   0.253% *  0.3194% (0.77   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    PHE   59  26.91 +/- 5.88   0.237% *  0.3201% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  16.02 +/- 1.96   0.665% *  0.0890% (0.21   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    PHE   59  15.53 +/- 1.56   0.915% *  0.0433% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.681, support = 6.18, residual support = 39.1:
      O   HB3   PRO   58 - HN    PHE   59   3.96 +/- 0.37  45.390% * 97.6194% (0.69  10.0   6.29  39.50) =  97.722%  kept
          HB    ILE   56 - HN    PHE   59   3.96 +/- 1.38  50.642% *  2.0356% (0.19   1.0   1.50  20.12) =   2.274%  kept
          HB2   MET   92 - HN    PHE   59  16.32 +/- 3.07   1.156% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    PHE   59  14.48 +/- 1.84   1.382% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    PHE   59  19.63 +/- 3.12   0.531% *  0.0616% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   59  22.97 +/- 3.68   0.421% *  0.0573% (0.41   1.0   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    PHE   59  26.62 +/- 6.19   0.227% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  23.58 +/- 2.37   0.251% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.1:
          QG1   ILE   56 - HN    PHE   59   3.61 +/- 0.68  82.221% * 97.7304% (0.67   4.26  20.12) =  99.945%  kept
          HB2   LEU   73 - HN    PHE   59  15.22 +/- 4.37   4.047% *  0.3208% (0.47   0.02   0.02) =   0.016%
          HB3   MET   92 - HN    PHE   59  14.97 +/- 3.04   3.301% *  0.2371% (0.35   0.02   0.02) =   0.010%
          QD    LYS+ 106 - HN    PHE   59  15.00 +/- 2.25   1.588% *  0.4235% (0.62   0.02   0.02) =   0.008%
          HD2   LYS+ 111 - HN    PHE   59  13.93 +/- 1.64   2.602% *  0.1804% (0.26   0.02   0.02) =   0.006%
          QD    LYS+  99 - HN    PHE   59  17.15 +/- 3.16   0.909% *  0.4417% (0.64   0.02   0.02) =   0.005%
          HB3   LYS+  99 - HN    PHE   59  18.31 +/- 2.87   0.763% *  0.4042% (0.59   0.02   0.02) =   0.004%
          HB2   LEU  123 - HN    PHE   59  12.01 +/- 1.75   3.748% *  0.0816% (0.12   0.02   0.02) =   0.004%
          HB    ILE   89 - HN    PHE   59  19.10 +/- 2.13   0.820% *  0.1804% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 0 structures by 0.05 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.531, support = 0.02, residual support = 0.67:
          HA    ALA   61 - HN    ALA   57   8.29 +/- 1.15  71.119% * 14.7090% (0.34   0.02   1.21) =  54.829%  kept
          HA    VAL   24 - HN    ALA   57  21.08 +/- 4.88  11.212% * 41.6148% (0.97   0.02   0.02) =  24.455%  kept
          HD2   PRO   68 - HN    ALA   57  15.88 +/- 2.16  14.371% * 22.6869% (0.53   0.02   0.02) =  17.088%  kept
          HA    LYS+  38 - HN    ALA   57  25.01 +/- 2.66   3.298% * 20.9893% (0.49   0.02   0.02) =   3.628%  kept
    Distance limit 3.58 A violated in 20 structures by 4.60 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.344, support = 0.168, residual support = 0.0651:
          HB3   CYS   53 - HN    ALA   57   6.97 +/- 1.44  45.118% * 80.2130% (0.34   0.19   0.02) =  88.684%  kept
          HD2   ARG+  54 - HN    ALA   57   7.83 +/- 1.74  35.502% * 10.3740% (0.41   0.02   0.52) =   9.025%  kept
          HD3   PRO   93 - HN    ALA   57  13.40 +/- 3.56  13.677% *  4.9938% (0.20   0.02   0.02) =   1.674%  kept
          HD3   PRO   68 - HN    ALA   57  15.82 +/- 2.25   5.703% *  4.4192% (0.18   0.02   0.02) =   0.618%  kept
    Distance limit 4.56 A violated in 9 structures by 1.59 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 = 0.615, support = 4.7, residual support = 27.9:
          HB3   PRO   58 - HN    ALA   57   5.38 +/- 0.50  29.750% * 73.0619% (0.90   4.22  25.35) =  56.492%  kept
          HB    ILE   56 - HN    ALA   57   3.65 +/- 1.03  65.063% * 25.7131% (0.25   5.34  31.33) =  43.481%  kept
          HB2   MET   92 - HN    ALA   57  15.98 +/- 3.67   2.020% *  0.2807% (0.73   0.02   0.02) =   0.015%
          HB3   MET   96 - HN    ALA   57  16.04 +/- 1.98   1.605% *  0.0964% (0.25   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    ALA   57  21.26 +/- 3.48   0.497% *  0.2188% (0.57   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    ALA   57  24.40 +/- 4.11   0.464% *  0.2034% (0.53   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    ALA   57  27.92 +/- 6.74   0.325% *  0.2807% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    ALA   57  25.75 +/- 2.90   0.275% *  0.1451% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.84, residual support = 24.2:
      O   QB    ALA   57 - HN    ALA   57   2.42 +/- 0.47  92.376% * 99.4737% (0.92  10.0   4.84  24.16) =  99.993%  kept
          HD2   LYS+  74 - HN    ALA   57  14.03 +/- 4.49   2.785% *  0.1068% (0.99   1.0   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HN    ALA   57  14.55 +/- 2.74   0.926% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    ALA   57  11.30 +/- 1.65   1.468% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  13.89 +/- 2.90   1.243% *  0.0567% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ALA   57  15.10 +/- 2.37   0.567% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.44 +/- 3.04   0.286% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  21.34 +/- 2.65   0.194% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  23.73 +/- 2.68   0.157% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 31.3:
          QG2   ILE   56 - HN    ALA   57   3.88 +/- 0.32  84.518% * 97.4556% (0.87   5.27  31.33) =  99.954%  kept
          HG2   LYS+  74 - HN    ALA   57  13.75 +/- 4.41   5.844% *  0.1910% (0.45   0.02   0.02) =   0.014%
          QB    ALA   91 - HN    ALA   57  14.81 +/- 2.75   2.328% *  0.4112% (0.97   0.02   0.02) =   0.012%
          HG13  ILE   19 - HN    ALA   57  19.22 +/- 3.91   1.230% *  0.2927% (0.69   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    ALA   57  19.07 +/- 1.76   0.801% *  0.4112% (0.97   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    ALA   57  18.53 +/- 4.88   2.068% *  0.1453% (0.34   0.02   0.02) =   0.004%
          QB    ALA   34 - HN    ALA   57  18.72 +/- 2.12   0.910% *  0.2927% (0.69   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    ALA   57  18.67 +/- 3.37   1.384% *  0.1752% (0.41   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HN    ALA   57  27.12 +/- 2.99   0.310% *  0.4177% (0.98   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ALA   57  22.55 +/- 3.44   0.606% *  0.2074% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.72 A violated in 0 structures by 0.23 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.61, residual support = 59.0:
      O   HB2   ASN   69 - HD21  ASN   69   3.07 +/- 0.58  90.624% * 99.6854% (0.36  10.0   3.61  59.02) =  99.989%  kept
          QE    LYS+  66 - HD21  ASN   69  10.75 +/- 2.31   4.820% *  0.1287% (0.47   1.0   0.02   0.19) =   0.007%
          HB3   ASN   35 - HD21  ASN   69  14.92 +/- 4.65   3.464% *  0.0811% (0.30   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HD21  ASN   69  19.35 +/- 3.22   0.701% *  0.0811% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   69  23.02 +/- 3.71   0.391% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.304, support = 3.74, residual support = 21.7:
          QG1   VAL   70 - HD21  ASN   69   4.65 +/- 1.07  42.741% * 81.5587% (0.32   4.11  24.51) =  88.606%  kept
          QD1   LEU   71 - HD21  ASN   69   6.38 +/- 2.50  33.346% * 11.7175% (0.19   0.98   0.26) =   9.932%  kept
          QD1   LEU  123 - HD21  ASN   69  15.17 +/- 4.72   9.572% *  5.0869% (0.19   0.43   0.02) =   1.238%  kept
          HB3   LEU   63 - HD21  ASN   69  10.65 +/- 2.76   8.866% *  0.7014% (0.56   0.02   0.02) =   0.158%  kept
          QG1   VAL   18 - HD21  ASN   69  12.24 +/- 4.99   4.991% *  0.4818% (0.39   0.02   0.02) =   0.061%
          QG1   VAL  108 - HD21  ASN   69  20.35 +/- 2.54   0.484% *  0.4537% (0.36   0.02   0.02) =   0.006%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.428, support = 0.02, residual support = 0.02:
          HA    ASN   35 - HD21  ASN   69  12.75 +/- 4.65  18.331% * 17.4728% (0.47   0.02   0.02) =  26.258%  kept
          HA    LYS+  99 - HD21  ASN   69  11.76 +/- 3.14  15.523% * 19.7883% (0.53   0.02   0.02) =  25.183%  kept
          HA    LEU  123 - HD21  ASN   69  18.89 +/- 6.63  13.679% * 14.3693% (0.39   0.02   0.02) =  16.114%  kept
          HA    ILE   56 - HD21  ASN   69  19.74 +/- 3.49   8.327% * 16.7505% (0.45   0.02   0.02) =  11.435%  kept
          HA    PHE   59 - HD21  ASN   69  15.54 +/- 2.17  11.382% *  8.6000% (0.23   0.02   0.02) =   8.025%  kept
          HA    LEU   40 - HD21  ASN   69   9.07 +/- 2.35  28.976% *  2.8311% (0.08   0.02   0.02) =   6.725%  kept
          HA    ASP- 113 - HD21  ASN   69  22.74 +/- 3.93   3.782% * 20.1881% (0.54   0.02   0.02) =   6.260%  kept
    Distance limit 4.90 A violated in 14 structures by 2.63 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 = 0.959, support = 4.0, residual support = 20.0:
          QB    PHE   55 - HN    ILE   56   3.10 +/- 0.51  60.048% * 59.5307% (0.97   4.35  22.25) =  88.499%  kept
          HD2   ARG+  54 - HN    ILE   56   6.35 +/- 0.97  11.864% * 22.8256% (0.92   1.74   0.12) =   6.704%  kept
          HB3   CYS   53 - HN    ILE   56   5.35 +/- 0.55  13.948% *  8.8792% (0.97   0.65   0.02) =   3.066%  kept
          HB2   PHE   59 - HN    ILE   56   6.75 +/- 1.06   8.476% *  8.1313% (0.76   0.75  20.12) =   1.706%  kept
          HD3   PRO   93 - HN    ILE   56  11.88 +/- 3.65   2.911% *  0.2831% (1.00   0.02   0.02) =   0.020%
          HD3   PRO   68 - HN    ILE   56  17.11 +/- 2.97   0.515% *  0.2812% (0.99   0.02   0.02) =   0.004%
          HD3   PRO   93 - HZ2   TRP   87  16.13 +/- 1.32   0.558% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  18.40 +/- 3.90   0.463% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.55 +/- 1.96   0.398% *  0.0119% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.54 +/- 1.67   0.322% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  19.24 +/- 2.44   0.302% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  23.72 +/- 2.38   0.195% *  0.0114% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.866, support = 5.93, residual support = 123.4:
      O   HB    ILE   56 - HN    ILE   56   3.52 +/- 0.54  48.381% * 94.5218% (0.87  10.0   5.96 124.24) =  99.338%  kept
          HB3   PRO   58 - HN    ILE   56   8.03 +/- 0.80   4.978% *  4.3627% (0.80   1.0   1.00   0.02) =   0.472%  kept
          HG2   ARG+  54 - HN    ILE   56   5.54 +/- 0.81  15.548% *  0.5350% (0.18   1.0   0.56   0.12) =   0.181%  kept
          HB2   MET   92 - HN    ILE   56  14.47 +/- 3.71   1.667% *  0.1031% (0.95   1.0   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    ILE   56  16.74 +/- 3.61   3.335% *  0.0216% (0.20   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ILE   56  15.28 +/- 1.83   0.872% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ILE   56  22.41 +/- 2.92   0.264% *  0.1087% (1.00   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ILE   56  21.11 +/- 3.65   0.487% *  0.0448% (0.41   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  11.14 +/- 4.33   8.724% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  20.29 +/- 3.25   0.375% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  27.33 +/- 2.57   0.122% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  18.22 +/- 3.84   0.762% *  0.0147% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  14.34 +/- 6.86   2.228% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.37 +/- 2.24   0.178% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.08 +/- 2.63   0.278% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  29.55 +/- 6.92   0.233% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  15.68 +/- 2.12   0.736% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  11.69 +/- 6.11   4.403% *  0.0007% (0.01   1.0   0.02   4.39) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.60 +/- 0.86   1.633% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  19.44 +/- 5.01   0.427% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.96 +/- 0.78   0.906% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  20.12 +/- 1.86   0.285% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  16.46 +/- 5.53   0.868% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  14.87 +/- 4.62   1.133% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  22.42 +/- 3.01   0.249% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  19.65 +/- 3.87   0.414% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.37 +/- 2.31   0.242% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  28.93 +/- 6.49   0.270% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.28 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.31, residual support = 124.2:
          QG1   ILE   56 - HN    ILE   56   3.31 +/- 0.79  63.782% * 98.0771% (0.87   5.31 124.24) =  99.948%  kept
          HB3   MET   92 - HN    ILE   56  13.23 +/- 3.51   3.889% *  0.1909% (0.45   0.02   0.02) =   0.012%
          HB2   LEU   73 - HN    ILE   56  17.02 +/- 4.89   2.432% *  0.2583% (0.61   0.02   0.02) =   0.010%
          QD    LYS+ 106 - HN    ILE   56  16.36 +/- 2.33   1.657% *  0.3410% (0.80   0.02   0.02) =   0.009%
          QD    LYS+  99 - HN    ILE   56  20.59 +/- 3.44   0.962% *  0.3557% (0.84   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    ILE   56  12.86 +/- 2.71   1.854% *  0.1453% (0.34   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    ILE   56  21.88 +/- 3.21   0.717% *  0.3254% (0.76   0.02   0.02) =   0.004%
          HB2   LEU  123 - HN    ILE   56  15.54 +/- 3.01   1.652% *  0.0657% (0.15   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HZ2   TRP   87  10.62 +/- 4.49   7.182% *  0.0148% (0.03   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    ILE   56  18.42 +/- 2.37   0.605% *  0.1453% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   73 - HZ2   TRP   87  12.26 +/- 3.48   3.515% *  0.0112% (0.03   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   8.90 +/- 1.23   5.302% *  0.0063% (0.01   0.02  17.05) =   0.001%
          HB3   LYS+  99 - HZ2   TRP   87  14.89 +/- 5.54   2.299% *  0.0141% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  99 - HZ2   TRP   87  15.04 +/- 4.77   1.807% *  0.0154% (0.04   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.64 +/- 1.70   0.863% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  15.56 +/- 1.74   0.911% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  21.02 +/- 3.28   0.367% *  0.0063% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  25.60 +/- 3.99   0.205% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.07 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.574, support = 0.451, residual support = 0.596:
          HB3   LEU  115 - HN    ILE   56   8.14 +/- 1.34  11.059% * 36.5090% (0.92   0.39   0.12) =  39.778%  kept
          QB    ALA   61 - HN    ILE   56   7.78 +/- 1.22  12.300% * 22.4188% (0.38   0.58   1.73) =  27.167%  kept
          HG    LEU  115 - HN    ILE   56   8.00 +/- 1.42  11.697% * 15.9067% (0.38   0.41   0.12) =  18.331%  kept
          QB    ALA  110 - HN    ILE   56   9.79 +/- 3.16  10.949% * 10.5408% (0.20   0.52   0.51) =  11.371%  kept
          HG    LEU   73 - HZ2   TRP   87  12.02 +/- 4.02   6.530% *  1.4011% (0.04   0.35   0.02) =   0.901%  kept
          QG    LYS+  66 - HN    ILE   56  13.00 +/- 2.12   3.274% *  1.4871% (0.73   0.02   0.02) =   0.480%  kept
          HG    LEU   73 - HN    ILE   56  17.34 +/- 4.77   2.416% *  1.8367% (0.90   0.02   0.02) =   0.437%  kept
          QB    ALA  120 - HN    ILE   56  12.57 +/- 1.94   3.889% *  0.7686% (0.38   0.02   0.02) =   0.295%  kept
          HG    LEU   67 - HN    ILE   56  17.23 +/- 2.15   1.515% *  1.7106% (0.84   0.02   0.02) =   0.255%  kept
          HG    LEU   40 - HN    ILE   56  18.49 +/- 2.49   1.132% *  1.8905% (0.92   0.02   0.02) =   0.211%  kept
          HG    LEU   80 - HZ2   TRP   87   9.26 +/- 1.63   8.247% *  0.2411% (0.01   0.24   0.02) =   0.196%  kept
          HG    LEU   40 - HZ2   TRP   87  13.72 +/- 4.41   3.194% *  0.5554% (0.04   0.14   0.02) =   0.175%  kept
          HB3   LEU   67 - HN    ILE   56  17.00 +/- 2.10   1.381% *  1.0775% (0.53   0.02   0.02) =   0.147%  kept
          HG2   LYS+ 102 - HN    ILE   56  27.05 +/- 3.13   0.377% *  1.9764% (0.97   0.02   0.02) =   0.073%
          HG    LEU   80 - HN    ILE   56  21.18 +/- 3.56   0.815% *  0.4560% (0.22   0.02   0.02) =   0.037%
          HB3   LEU   40 - HN    ILE   56  20.58 +/- 2.65   0.772% *  0.4053% (0.20   0.02   0.02) =   0.031%
          HG2   LYS+ 102 - HZ2   TRP   87  15.29 +/- 6.57   3.370% *  0.0858% (0.04   0.02   0.02) =   0.028%
          HG12  ILE   19 - HN    ILE   56  20.51 +/- 3.33   0.798% *  0.3160% (0.15   0.02   0.02) =   0.025%
          HG    LEU   67 - HZ2   TRP   87  16.04 +/- 4.01   1.909% *  0.0742% (0.04   0.02   0.02) =   0.014%
          HB3   LEU  115 - HZ2   TRP   87  17.47 +/- 2.47   1.164% *  0.0820% (0.04   0.02   0.02) =   0.009%
          QG    LYS+  66 - HZ2   TRP   87  17.40 +/- 3.37   1.402% *  0.0645% (0.03   0.02   0.02) =   0.009%
          HB3   LEU   67 - HZ2   TRP   87  16.23 +/- 3.95   1.659% *  0.0468% (0.02   0.02   0.02) =   0.008%
          QB    ALA   61 - HZ2   TRP   87  15.25 +/- 3.23   2.181% *  0.0334% (0.02   0.02   0.02) =   0.007%
          HB3   LEU   40 - HZ2   TRP   87  15.13 +/- 4.74   2.627% *  0.0176% (0.01   0.02   0.02) =   0.005%
          HG    LEU  115 - HZ2   TRP   87  18.11 +/- 3.09   1.205% *  0.0334% (0.02   0.02   0.02) =   0.004%
          HG12  ILE   19 - HZ2   TRP   87  18.68 +/- 7.56   1.934% *  0.0137% (0.01   0.02   0.02) =   0.003%
          QB    ALA  110 - HZ2   TRP   87  16.08 +/- 2.36   1.444% *  0.0176% (0.01   0.02   0.02) =   0.003%
          QB    ALA  120 - HZ2   TRP   87  20.26 +/- 3.10   0.760% *  0.0334% (0.02   0.02   0.02) =   0.002%
    Distance limit 4.38 A violated in 7 structures by 1.23 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 124.2:
          QG2   ILE   56 - HN    ILE   56   2.83 +/- 0.60  76.318% * 98.4695% (1.00   6.72 124.24) =  99.988%  kept
          QB    ALA   91 - HN    ILE   56  13.62 +/- 2.65   1.631% *  0.2129% (0.73   0.02   0.02) =   0.005%
          HG2   LYS+  74 - HN    ILE   56  14.21 +/- 4.44   1.960% *  0.0580% (0.20   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ILE   56  19.09 +/- 4.46   0.513% *  0.1896% (0.65   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   56  19.82 +/- 1.81   0.306% *  0.2773% (0.95   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   56  20.30 +/- 1.56   0.285% *  0.2129% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HZ2   TRP   87  12.21 +/- 4.95   3.887% *  0.0120% (0.04   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   56  20.65 +/- 3.33   0.292% *  0.1100% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  28.71 +/- 2.67   0.098% *  0.2773% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  23.79 +/- 3.34   0.293% *  0.0653% (0.22   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  20.19 +/- 3.17   0.332% *  0.0513% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  13.96 +/- 4.09   1.699% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  12.44 +/- 3.78   5.542% *  0.0025% (0.01   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.08 +/- 0.89   1.278% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  15.50 +/- 5.13   1.141% *  0.0082% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  16.69 +/- 2.17   0.539% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  18.97 +/- 7.38   1.380% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  20.33 +/- 5.35   0.428% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  15.78 +/- 4.58   1.175% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  16.40 +/- 5.55   0.902% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.12 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.912, support = 5.68, residual support = 89.3:
          HD2   ARG+  54 - HN    ARG+  54   4.12 +/- 0.98  25.178% * 44.0661% (0.95   6.59 169.22) =  44.996%  kept
          HB3   CYS   53 - HN    ARG+  54   3.88 +/- 0.45  26.927% * 36.6239% (0.94   5.52  31.55) =  39.993%  kept
          QB    PHE   55 - HN    ARG+  54   4.34 +/- 0.17  19.733% * 18.3955% (0.76   3.43   3.84) =  14.721%  kept
          HB2   PHE   59 - HN    ASP-  62   5.53 +/- 0.81  13.108% *  0.4939% (0.09   0.75   6.06) =   0.263%  kept
          HD3   PRO   93 - HN    ARG+  54  11.37 +/- 3.45   1.915% *  0.1200% (0.85   0.02   0.02) =   0.009%
          HB2   PHE   59 - HN    ARG+  54  10.37 +/- 1.27   1.643% *  0.0704% (0.50   0.02   0.02) =   0.005%
          HB3   CYS   53 - HN    ASP-  62  10.41 +/- 2.23   2.737% *  0.0248% (0.18   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    ARG+  54  18.77 +/- 4.22   0.545% *  0.1161% (0.82   0.02   0.02) =   0.003%
          HD3   PRO   93 - HN    ASP-  62  14.77 +/- 3.39   2.551% *  0.0225% (0.16   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    ASP-  62  12.61 +/- 2.62   2.193% *  0.0250% (0.18   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ASP-  62  10.40 +/- 1.78   1.988% *  0.0217% (0.15   0.02   0.02) =   0.002%
          QB    PHE   55 - HN    ASP-  62  10.53 +/- 1.01   1.482% *  0.0200% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.61, residual support = 169.2:
      O   HB2   ARG+  54 - HN    ARG+  54   2.63 +/- 0.55  79.932% * 96.9633% (0.26  10.0   6.61 169.22) =  99.980%  kept
          HB2   LYS+ 111 - HN    ARG+  54  13.41 +/- 2.97   1.059% *  0.2793% (0.76   1.0   0.02   0.02) =   0.004%
          HB3   PRO   68 - HN    ARG+  54  20.30 +/- 4.78   0.683% *  0.3457% (0.94   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    ARG+  54  14.00 +/- 2.27   0.851% *  0.1974% (0.54   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASP-  62   9.59 +/- 1.33   2.946% *  0.0369% (0.10   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  12.39 +/- 1.68   1.341% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  12.66 +/- 1.82   1.023% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  22.66 +/- 3.98   0.243% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  23.86 +/- 3.88   0.198% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ARG+  54  17.28 +/- 1.98   0.397% *  0.1190% (0.32   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP-  62  15.35 +/- 3.35   0.928% *  0.0474% (0.13   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    ARG+  54  19.64 +/- 4.98   0.889% *  0.0472% (0.13   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ARG+  54  24.27 +/- 3.27   0.161% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ARG+  54  23.77 +/- 3.44   0.190% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.43 +/- 1.68   0.572% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  17.31 +/- 2.95   0.585% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  16.84 +/- 3.09   0.489% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.72 +/- 4.96   0.134% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.53 +/- 2.48   2.450% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  21.43 +/- 4.25   0.353% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.41 +/- 2.02   1.166% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  16.83 +/- 2.80   0.534% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  29.51 +/- 2.71   0.083% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  22.08 +/- 4.46   0.488% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.58 +/- 1.77   1.009% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.01 +/- 2.14   0.484% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  22.14 +/- 2.53   0.214% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.89 +/- 2.40   0.597% *  0.0114% (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 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.902, support = 6.46, residual support = 159.8:
          HG2   ARG+  54 - HN    ARG+  54   3.39 +/- 0.42  51.702% * 80.4662% (0.94   6.64 169.22) =  94.388%  kept
          HB3   PRO   52 - HN    ARG+  54   5.13 +/- 0.29  16.205% * 13.8862% (0.29   3.68   1.97) =   5.105%  kept
          HB    ILE   56 - HN    ARG+  54   7.43 +/- 0.88   6.159% *  3.3683% (0.46   0.57   0.12) =   0.471%  kept
          HG2   ARG+  54 - HN    ASP-  62  11.40 +/- 2.19   4.154% *  0.0454% (0.18   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    ARG+  54  19.86 +/- 5.17   0.773% *  0.2361% (0.91   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    ARG+  54  19.44 +/- 3.70   0.741% *  0.2441% (0.94   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP-  62   7.78 +/- 1.38   6.512% *  0.0223% (0.09   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    ASP-  62  13.81 +/- 3.00   3.099% *  0.0457% (0.18   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ARG+  54  16.93 +/- 2.35   0.552% *  0.2194% (0.85   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    ARG+  54  18.82 +/- 3.48   0.511% *  0.2361% (0.91   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ARG+  54  19.89 +/- 3.87   0.455% *  0.2258% (0.87   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ASP-  62  11.94 +/- 2.35   2.020% *  0.0442% (0.17   0.02   0.02) =   0.002%
          HG    LEU  123 - HN    ARG+  54  17.62 +/- 4.12   0.763% *  0.0755% (0.29   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ASP-  62  14.42 +/- 2.35   1.057% *  0.0411% (0.16   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ARG+  54  23.90 +/- 2.99   0.181% *  0.2398% (0.93   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  25.86 +/- 2.62   0.137% *  0.2425% (0.94   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ASP-  62  19.35 +/- 2.71   0.486% *  0.0449% (0.17   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  12.58 +/- 1.91   1.354% *  0.0141% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  18.82 +/- 1.96   0.403% *  0.0454% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.32 +/- 1.85   0.872% *  0.0141% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  20.93 +/- 2.73   0.267% *  0.0423% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  22.04 +/- 2.92   0.251% *  0.0442% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.88 +/- 3.40   0.207% *  0.0484% (0.19   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  29.37 +/- 2.86   0.087% *  0.0834% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  16.92 +/- 2.70   0.788% *  0.0091% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  20.74 +/- 2.15   0.264% *  0.0156% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.18, support = 2.68, residual support = 7.82:
          QB    ALA   61 - HN    ASP-  62   2.77 +/- 0.29  68.871% * 50.1076% (0.16   2.79   8.18) =  95.464%  kept
          QG    LYS+  66 - HN    ASP-  62   6.92 +/- 1.88   7.287% *  8.8557% (0.11   0.75   0.79) =   1.785%  kept
          QB    ALA  110 - HN    ARG+  54  10.81 +/- 3.39   4.055% * 14.8436% (0.95   0.14   0.02) =   1.665%  kept
          QB    ALA   61 - HN    ARG+  54   9.44 +/- 1.68   3.064% *  7.8153% (0.87   0.08   0.02) =   0.662%  kept
          HB3   LEU   67 - HN    ASP-  62  10.09 +/- 1.66   1.762% *  3.5545% (0.14   0.23   0.02) =   0.173%  kept
          QG    LYS+  66 - HN    ARG+  54  14.37 +/- 3.26   1.477% *  1.2621% (0.57   0.02   0.02) =   0.052%
          HB3   LYS+  74 - HN    ARG+  54  15.90 +/- 4.42   1.399% *  1.0129% (0.46   0.02   0.02) =   0.039%
          HD3   LYS+ 121 - HN    ARG+  54  19.52 +/- 3.72   0.821% *  1.0948% (0.50   0.02   0.02) =   0.025%
          HG    LEU   80 - HN    ARG+  54  20.33 +/- 3.97   0.354% *  2.0762% (0.94   0.02   0.02) =   0.020%
          HG    LEU   73 - HN    ARG+  54  18.46 +/- 4.63   0.716% *  0.8555% (0.39   0.02   0.02) =   0.017%
          HB3   LEU   67 - HN    ARG+  54  18.40 +/- 2.81   0.328% *  1.6662% (0.76   0.02   0.02) =   0.015%
          HG    LEU   73 - HN    ASP-  62  12.44 +/- 3.20   2.961% *  0.1601% (0.07   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    ARG+  54  22.01 +/- 4.12   0.219% *  2.0624% (0.94   0.02   0.02) =   0.012%
          HB3   LYS+  74 - HN    ASP-  62  11.33 +/- 2.91   2.343% *  0.1895% (0.09   0.02   0.02) =   0.012%
          HB2   LEU   80 - HN    ARG+  54  20.07 +/- 3.33   0.308% *  1.4293% (0.65   0.02   0.02) =   0.012%
          QB    ALA  110 - HN    ASP-  62  13.43 +/- 1.98   0.849% *  0.3893% (0.18   0.02   0.02) =   0.009%
          HG12  ILE   19 - HN    ASP-  62  15.11 +/- 3.04   0.721% *  0.3859% (0.18   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HN    ASP-  62  14.31 +/- 1.92   0.636% *  0.2048% (0.09   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ARG+  54  19.97 +/- 1.98   0.224% *  0.5189% (0.24   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ASP-  62  19.37 +/- 2.98   0.250% *  0.3885% (0.18   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  14.65 +/- 2.39   0.846% *  0.0971% (0.04   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ASP-  62  19.17 +/- 2.45   0.250% *  0.2674% (0.12   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  29.02 +/- 3.23   0.079% *  0.6422% (0.29   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  23.13 +/- 3.10   0.180% *  0.1202% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.465, support = 2.67, residual support = 10.7:
      O   HA2   GLY   51 - HN    GLY   51   2.64 +/- 0.24  47.515% * 83.6631% (0.49  10.0   2.21  10.20) =  84.790%  kept
          HD2   PRO   52 - HN    GLY   51   2.88 +/- 1.00  46.751% * 15.2370% (0.34   1.0   5.20  13.33) =  15.194%  kept
          QB    SER   48 - HN    GLY   51   7.30 +/- 1.17   4.441% *  0.1314% (0.76   1.0   0.02   0.02) =   0.012%
          HA    LYS+  65 - HN    GLY   51  17.84 +/- 4.15   0.237% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  14.27 +/- 2.08   0.279% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    GLY   51  19.51 +/- 3.17   0.127% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  21.23 +/- 3.91   0.121% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  27.62 +/- 5.74   0.062% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  23.00 +/- 4.26   0.093% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  16.91 +/- 2.11   0.161% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  19.49 +/- 3.93   0.183% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  30.80 +/- 3.50   0.029% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.58, residual support = 7.39:
      O   QB    CYS   50 - HN    CYS   50   2.95 +/- 0.39  89.187% * 99.6287% (0.69  10.0   1.58   7.39) =  99.985%  kept
          HB3   ASP-  78 - HN    CYS   50  13.19 +/- 4.90   4.532% *  0.1532% (0.84   1.0   0.02   0.02) =   0.008%
          QE    LYS+  74 - HN    CYS   50  11.60 +/- 3.77   3.717% *  0.1332% (0.73   1.0   0.02   0.02) =   0.006%
          HB3   ASN   69 - HN    CYS   50  23.57 +/- 5.18   2.121% *  0.0566% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    CYS   50  20.76 +/- 4.12   0.443% *  0.0283% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.565, support = 2.01, residual support = 6.64:
          QB    ALA   47 - HN    CYS   50   3.68 +/- 1.20  77.300% * 97.6856% (0.57   2.01   6.65) =  99.862%  kept
          HG2   LYS+ 112 - HN    CYS   50  12.42 +/- 3.81  17.820% *  0.3003% (0.18   0.02   0.02) =   0.071%
          QB    ALA   64 - HN    CYS   50  13.44 +/- 1.94   2.779% *  1.2452% (0.73   0.02   0.02) =   0.046%
          QG1   VAL   42 - HN    CYS   50  14.43 +/- 1.02   2.102% *  0.7688% (0.45   0.02   0.02) =   0.021%
    Distance limit 4.29 A violated in 0 structures by 0.24 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.296, support = 3.46, residual support = 14.4:
      O   HA    SER   48 - HN    TRP   49   3.51 +/- 0.08  37.313% * 70.3916% (0.22  10.0   3.25  14.42) =  67.450%  kept
          QB    SER   48 - HN    TRP   49   3.28 +/- 0.41  45.611% * 27.7251% (0.45   1.0   3.91  14.42) =  32.475%  kept
          HD2   PRO   52 - HN    TRP   49   6.42 +/- 1.42   8.648% *  0.2045% (0.65   1.0   0.02   3.04) =   0.045%
          HA    LYS+  65 - HN    TRP   49  17.79 +/- 4.91   1.055% *  0.3134% (0.99   1.0   0.02   0.02) =   0.008%
          HA2   GLY   51 - HN    TRP   49   7.70 +/- 0.83   3.942% *  0.0704% (0.22   1.0   0.02   0.02) =   0.007%
          QB    SER   85 - HN    TRP   49  15.81 +/- 3.05   0.604% *  0.3051% (0.97   1.0   0.02   0.02) =   0.005%
          HA    ALA   88 - HN    TRP   49  15.60 +/- 4.10   1.173% *  0.1300% (0.41   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    TRP   49  12.28 +/- 1.70   1.112% *  0.1078% (0.34   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    TRP   49  27.75 +/- 6.78   0.140% *  0.3051% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    TRP   49  23.07 +/- 3.76   0.188% *  0.2172% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    TRP   49  24.47 +/- 3.55   0.142% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  29.08 +/- 3.53   0.072% *  0.1418% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.98, residual support = 92.4:
      O   HB3   TRP   49 - HN    TRP   49   2.84 +/- 0.43  98.533% * 99.8958% (0.80  10.0   3.98  92.42) =  99.998%  kept
          HB3   PHE   59 - HN    TRP   49  14.68 +/- 2.17   1.467% *  0.1042% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.395, support = 2.46, residual support = 9.18:
      O   QB    SER   48 - HN    SER   48   2.34 +/- 0.16  56.218% * 66.2308% (0.45  10.0   2.41   9.18) =  76.501%  kept
      O   HA    SER   48 - HN    SER   48   2.76 +/- 0.06  34.752% * 32.8893% (0.22  10.0   2.61   9.18) =  23.484%  kept
          HD2   PRO   52 - HN    SER   48   8.10 +/- 2.08   4.406% *  0.0956% (0.65   1.0   0.02   0.02) =   0.009%
          HA    ALA   88 - HN    SER   48  14.00 +/- 4.46   1.673% *  0.0607% (0.41   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    SER   48  17.00 +/- 4.97   0.463% *  0.1464% (0.99   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    SER   48  14.30 +/- 3.17   0.449% *  0.1426% (0.97   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.58 +/- 1.26   1.134% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  11.34 +/- 1.56   0.645% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER   48  26.95 +/- 7.32   0.075% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  23.35 +/- 3.52   0.083% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  27.57 +/- 3.63   0.041% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  24.49 +/- 3.13   0.061% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.06, residual support = 6.23:
          QB    ALA   47 - HN    SER   48   2.94 +/- 0.33  88.293% * 99.1156% (0.90   4.06   6.23) =  99.966%  kept
          HG2   LYS+ 112 - HN    SER   48  14.64 +/- 4.11   7.755% *  0.2441% (0.45   0.02   0.02) =   0.022%
          QG1   VAL   42 - HN    SER   48  13.54 +/- 1.39   1.290% *  0.4360% (0.80   0.02   0.02) =   0.006%
          QB    ALA   64 - HN    SER   48  12.99 +/- 2.45   2.662% *  0.2043% (0.38   0.02   0.02) =   0.006%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.806, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.63 +/- 3.37  57.163% * 52.2208% (0.84   0.02   0.02) =  59.324%  kept
          HB2   TRP   87 - HN    ALA   47  12.89 +/- 3.12  42.837% * 47.7792% (0.76   0.02   0.02) =  40.676%  kept
    Distance limit 4.25 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 = 1.28, residual support = 5.5:
          QB    CYS   50 - HN    ALA   47   4.79 +/- 1.32  50.165% * 67.9885% (0.97   1.42   6.65) =  82.570%  kept
          QE    LYS+  74 - HN    ALA   47   8.49 +/- 3.16  23.009% * 30.6648% (0.98   0.63   0.02) =  17.081%  kept
          HB3   ASN   69 - HN    ALA   47  20.77 +/- 4.29  11.715% *  0.6423% (0.65   0.02   0.02) =   0.182%  kept
          HB3   ASP-  78 - HN    ALA   47  10.62 +/- 3.62  13.477% *  0.4833% (0.49   0.02   0.54) =   0.158%  kept
          HB2   PHE   72 - HN    ALA   47  15.05 +/- 1.52   1.634% *  0.2211% (0.22   0.02   0.02) =   0.009%
    Distance limit 4.00 A violated in 0 structures by 0.26 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 3.2, residual support = 10.7:
          QG2   THR   46 - HN    ALA   47   3.60 +/- 0.57  88.059% * 97.5687% (0.97   3.20  10.73) =  99.934%  kept
          QG1   VAL   43 - HN    ALA   47  10.68 +/- 1.45   5.428% *  0.4336% (0.69   0.02   0.02) =   0.027%
          QG2   VAL   18 - HN    ALA   47  15.49 +/- 5.59   2.767% *  0.5661% (0.90   0.02   0.02) =   0.018%
          QD1   ILE   19 - HN    ALA   47  17.36 +/- 4.40   1.306% *  0.5971% (0.95   0.02   0.02) =   0.009%
          QD2   LEU  104 - HN    ALA   47  18.23 +/- 2.52   1.214% *  0.5272% (0.84   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    ALA   47  16.53 +/- 1.44   1.226% *  0.3072% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.29, residual support = 10.8:
      O   QB    ALA   47 - HN    ALA   47   2.43 +/- 0.17  95.293% * 99.7622% (0.57  10.0   2.29  10.75) =  99.997%  kept
          QB    ALA   64 - HN    ALA   47  10.96 +/- 1.73   1.354% *  0.1280% (0.73   1.0   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    ALA   47  11.18 +/- 0.88   1.098% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    ALA   47  11.96 +/- 3.58   2.256% *  0.0309% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.21, residual support = 34.1:
      O   HB    THR   46 - HN    THR   46   3.45 +/- 0.35  94.997% * 99.3656% (0.25  10.0   3.21  34.07) =  99.988%  kept
          HA    LYS+ 112 - HN    THR   46  13.04 +/- 2.02   2.441% *  0.3045% (0.76   1.0   0.02   0.02) =   0.008%
          HB2   HIS   22 - HN    THR   46  16.52 +/- 5.27   1.932% *  0.1359% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   HIS  122 - HN    THR   46  19.65 +/- 2.39   0.630% *  0.1940% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.42, residual support = 10.1:
          QG2   THR   77 - HN    THR   46   3.61 +/- 1.60  60.685% * 73.3631% (0.61   3.62  10.96) =  92.326%  kept
          QB    ALA   88 - HN    THR   46  10.08 +/- 2.76  20.386% *  9.9726% (0.95   0.32   0.02) =   4.216%  kept
          HB3   ASP-  44 - HN    THR   46   6.19 +/- 0.54  11.640% * 14.1283% (0.22   1.90   0.02) =   3.410%  kept
          HB3   LEU   80 - HN    THR   46   9.66 +/- 1.97   3.608% *  0.2747% (0.41   0.02   0.02) =   0.021%
          HG2   LYS+ 111 - HN    THR   46  15.65 +/- 2.80   0.907% *  0.4323% (0.65   0.02   0.02) =   0.008%
          HB2   LEU   63 - HN    THR   46  12.53 +/- 2.76   1.688% *  0.2063% (0.31   0.02   0.02) =   0.007%
          HB2   LEU   31 - HN    THR   46  18.65 +/- 3.16   0.554% *  0.3783% (0.57   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HN    THR   46  20.69 +/- 1.31   0.335% *  0.5993% (0.90   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    THR   46  24.39 +/- 1.18   0.197% *  0.6449% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.864, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.77 +/- 2.22  38.073% * 32.0586% (0.99   0.02   0.02) =  49.977%  kept
          QD1   ILE  119 - HN    THR   46  12.78 +/- 1.86  24.774% * 25.8997% (0.80   0.02   0.02) =  26.272%  kept
          HB2   LEU  104 - HN    THR   46  17.24 +/- 2.01   9.474% * 32.0586% (0.99   0.02   0.02) =  12.436%  kept
          HG3   LYS+ 112 - HN    THR   46  13.26 +/- 3.62  27.679% *  9.9831% (0.31   0.02   0.02) =  11.314%  kept
    Distance limit 4.69 A violated in 18 structures by 4.39 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.33, residual support = 34.0:
          QG2   THR   46 - HN    THR   46   2.43 +/- 0.29  89.378% * 87.5533% (0.97   3.34  34.07) =  99.786%  kept
          QG2   VAL   18 - HN    THR   46  14.12 +/- 5.87   1.272% * 10.6187% (1.00   0.39   0.02) =   0.172%  kept
          QG1   VAL   43 - HN    THR   46   7.55 +/- 1.44   4.617% *  0.5141% (0.95   0.02   0.02) =   0.030%
          QD1   ILE   19 - HN    THR   46  15.44 +/- 4.84   0.742% *  0.3733% (0.69   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    THR   46  13.66 +/- 1.07   0.593% *  0.4352% (0.80   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    THR   46   9.65 +/- 1.86   2.534% *  0.0839% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    THR   46  15.98 +/- 2.14   0.477% *  0.2860% (0.53   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    THR   46  16.86 +/- 3.37   0.386% *  0.1355% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.65, residual support = 1.65:
          QG1   VAL   75 - HN    THR   46   4.45 +/- 1.27  82.026% * 99.0106% (0.92   1.66   1.65) =  99.781%  kept
          QD1   LEU  115 - HN    THR   46   9.26 +/- 1.82  17.974% *  0.9894% (0.76   0.02   0.02) =   0.219%  kept
    Distance limit 4.54 A violated in 2 structures by 0.48 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.29, residual support = 27.0:
          HB    THR   94 - HN    PHE   45   3.72 +/- 0.51  71.055% * 94.1909% (0.65   3.30  27.09) =  99.733%  kept
          HA    LYS+  65 - HN    PHE   45  12.66 +/- 4.14  12.592% *  0.8150% (0.92   0.02   0.02) =   0.153%  kept
          QB    SER   48 - HN    PHE   45  11.33 +/- 0.59   2.943% *  0.6747% (0.76   0.02   0.02) =   0.030%
          QB    SER   85 - HN    PHE   45  12.75 +/- 0.90   1.990% *  0.8520% (0.97   0.02   0.02) =   0.025%
          HD2   PRO   52 - HN    PHE   45  12.80 +/- 2.39   2.663% *  0.3012% (0.34   0.02   0.02) =   0.012%
          HA2   GLY   16 - HN    PHE   45  22.23 +/- 6.08   0.865% *  0.8520% (0.97   0.02   0.02) =   0.011%
          HA    ALA  120 - HN    PHE   45  18.44 +/- 1.67   0.715% *  0.8352% (0.95   0.02   0.02) =   0.009%
          HA2   GLY   51 - HN    PHE   45  15.02 +/- 1.48   1.372% *  0.4297% (0.49   0.02   0.02) =   0.009%
          HA    ALA   88 - HN    PHE   45  11.75 +/- 1.25   2.755% *  0.1546% (0.18   0.02   0.34) =   0.006%
          QB    SER  117 - HN    PHE   45  13.50 +/- 1.10   1.795% *  0.2201% (0.25   0.02   0.02) =   0.006%
          HA    LYS+ 121 - HN    PHE   45  18.49 +/- 1.66   0.698% *  0.4998% (0.57   0.02   0.02) =   0.005%
          HA    GLN   32 - HN    PHE   45  20.35 +/- 2.68   0.559% *  0.1747% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.62, residual support = 79.8:
      O   HB2   PHE   45 - HN    PHE   45   2.80 +/- 0.52  97.175% * 99.8561% (0.99  10.0   3.62  79.82) =  99.998%  kept
          QE    LYS+ 111 - HN    PHE   45  13.30 +/- 2.25   1.438% *  0.0988% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   CYS   21 - HN    PHE   45  15.96 +/- 5.08   1.388% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 79.8:
      O   HB3   PHE   45 - HN    PHE   45   3.18 +/- 0.55  75.819% * 99.6079% (0.87  10.0   3.95  79.82) =  99.978%  kept
          QE    LYS+ 112 - HN    PHE   45  10.43 +/- 3.53   7.440% *  0.0996% (0.87   1.0   0.02   0.02) =   0.010%
          HB3   ASP-  62 - HN    PHE   45  12.21 +/- 3.16   7.507% *  0.0431% (0.38   1.0   0.02   0.02) =   0.004%
          HB    VAL  107 - HN    PHE   45   7.89 +/- 0.83   5.972% *  0.0515% (0.45   1.0   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    PHE   45  11.62 +/- 1.74   2.932% *  0.0919% (0.80   1.0   0.02   0.02) =   0.004%
          HG2   GLU-  29 - HN    PHE   45  21.41 +/- 2.74   0.331% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (1.33, 8.74, 125.75 ppm):
    13 chemical-shift based assignments, quality = 0.447, support = 3.67, residual support = 16.0:
          HB3   ASP-  44 - HN    PHE   45   3.79 +/- 0.59  41.882% * 51.3590% (0.49   4.10  18.28) =  76.720%  kept
          QG2   THR   77 - HN    PHE   45   5.00 +/- 1.38  24.859% * 20.4515% (0.31   2.57  10.52) =  18.133%  kept
          HB3   PRO   93 - HN    PHE   45   5.79 +/- 0.84  15.176% *  4.2989% (0.15   1.08   0.42) =   2.327%  kept
          QB    ALA   88 - HN    PHE   45  10.09 +/- 1.41   3.520% * 14.5821% (0.69   0.82   0.34) =   1.831%  kept
          QB    ALA   84 - HN    PHE   45   8.73 +/- 1.03   3.815% *  6.3870% (0.18   1.42   0.70) =   0.869%  kept
          HB2   LEU   63 - HN    PHE   45  10.61 +/- 2.52   3.250% *  0.3122% (0.61   0.02   0.02) =   0.036%
          HB3   LEU   80 - HN    PHE   45  10.94 +/- 2.18   2.287% *  0.3737% (0.73   0.02   0.02) =   0.030%
          HG2   LYS+ 111 - HN    PHE   45  14.40 +/- 2.19   0.978% *  0.4751% (0.92   0.02   0.02) =   0.017%
          HG    LEU   98 - HN    PHE   45  11.83 +/- 2.03   2.553% *  0.1283% (0.25   0.02   0.02) =   0.012%
          HB2   LEU   31 - HN    PHE   45  16.73 +/- 2.83   0.637% *  0.4464% (0.87   0.02   0.02) =   0.010%
          HG2   LYS+  99 - HN    PHE   45  17.48 +/- 1.05   0.480% *  0.5135% (1.00   0.02   0.02) =   0.009%
          HG2   LYS+  38 - HN    PHE   45  21.75 +/- 0.99   0.232% *  0.4967% (0.97   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    PHE   45  20.35 +/- 1.93   0.331% *  0.1756% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.04, residual support = 9.07:
          QD1   ILE   89 - HN    PHE   45   5.32 +/- 1.75  59.816% * 48.1130% (0.80   1.10  12.55) =  62.868%  kept
          QG2   VAL   83 - HN    PHE   45   6.98 +/- 1.42  33.223% * 50.9706% (0.98   0.95   3.18) =  36.992%  kept
          QD2   LEU   31 - HN    PHE   45  11.98 +/- 2.48   6.961% *  0.9164% (0.84   0.02   0.02) =   0.139%  kept
    Distance limit 4.39 A violated in 3 structures by 0.51 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   3.47 +/- 0.65  81.450% * 98.4417% (1.00   4.10  12.42) =  99.931%  kept
          QE    LYS+ 112 - HN    THR   46  11.30 +/- 3.56   6.144% *  0.4802% (1.00   0.02   0.02) =   0.037%
          HB    VAL  107 - HN    THR   46  11.27 +/- 1.48   3.832% *  0.3854% (0.80   0.02   0.02) =   0.018%
          HB3   ASP-  86 - HN    THR   46  12.21 +/- 1.95   2.892% *  0.2158% (0.45   0.02   0.02) =   0.008%
          HB3   ASP-  62 - HN    THR   46  13.73 +/- 3.12   4.697% *  0.0651% (0.14   0.02   0.02) =   0.004%
          HG2   GLU-  29 - HN    THR   46  22.48 +/- 3.72   0.485% *  0.2919% (0.61   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    THR   46  21.50 +/- 3.00   0.500% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.28 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 = 0.745, residual support = 6.97:
          HN    CYS   50 - HN    CYS   53   5.15 +/- 0.44  97.607% * 77.1198% (0.87  1.00   0.75   7.02) =  99.278%  kept
        T HN    VAL   83 - HN    CYS   53  20.14 +/- 3.00   2.393% * 22.8802% (0.97 10.00   0.02   0.02) =   0.722%  kept
    Distance limit 4.82 A violated in 0 structures by 0.40 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 55.6:
      O   HA    PRO   52 - HN    CYS   53   3.44 +/- 0.05  95.382% * 99.8358% (0.61  10.0   7.18  55.65) =  99.992%  kept
          HA    LYS+ 111 - HN    CYS   53  11.49 +/- 3.39   4.618% *  0.1642% (1.00   1.0   0.02   0.02) =   0.008%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.77, residual support = 44.2:
      O   HA    CYS   53 - HN    CYS   53   2.74 +/- 0.05  98.263% * 99.7036% (0.90  10.0   4.77  44.17) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  14.57 +/- 2.12   0.813% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  21.10 +/- 3.95   0.360% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  26.00 +/- 3.77   0.152% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  26.20 +/- 4.04   0.156% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  27.44 +/- 3.56   0.133% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.67 +/- 2.79   0.123% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.354, support = 7.77, residual support = 50.8:
          HD2   PRO   52 - HN    CYS   53   2.31 +/- 0.07  81.218% * 60.9446% (0.34   8.19  55.65) =  91.164%  kept
          HA2   GLY   51 - HN    CYS   53   4.44 +/- 0.37  13.181% * 36.2646% (0.49   3.42   0.29) =   8.804%  kept
          QB    SER   48 - HN    CYS   53   8.80 +/- 1.77   2.815% *  0.3333% (0.76   0.02   0.02) =   0.017%
          HB    THR   94 - HN    CYS   53  12.79 +/- 2.22   0.638% *  0.2821% (0.65   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    CYS   53  18.41 +/- 3.30   0.435% *  0.4126% (0.95   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    CYS   53  16.30 +/- 3.58   0.446% *  0.4026% (0.92   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    CYS   53  20.21 +/- 3.83   0.344% *  0.2469% (0.57   0.02   0.02) =   0.002%
          QB    SER   85 - HN    CYS   53  19.70 +/- 2.91   0.160% *  0.4209% (0.97   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYS   53  14.36 +/- 1.67   0.405% *  0.1087% (0.25   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    CYS   53  26.10 +/- 5.08   0.082% *  0.4209% (0.97   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    CYS   53  19.50 +/- 3.84   0.229% *  0.0764% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  29.25 +/- 2.77   0.046% *  0.0863% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.953, support = 4.98, residual support = 44.9:
      O   HB2   CYS   53 - HN    CYS   53   2.58 +/- 0.49  68.945% * 84.9014% (0.98  10.0   4.90  44.17) =  93.359%  kept
          HD3   PRO   52 - HN    CYS   53   3.68 +/- 0.02  27.950% * 14.8919% (0.57   1.0   6.07  55.65) =   6.639%  kept
          HD2   PRO   58 - HN    CYS   53   9.26 +/- 1.67   2.789% *  0.0560% (0.65   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    CYS   53  20.30 +/- 2.53   0.173% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.80 +/- 3.10   0.079% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  27.83 +/- 3.18   0.065% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.02, residual support = 42.8:
      O   HB3   CYS   53 - HN    CYS   53   2.89 +/- 0.56  63.718% * 76.6914% (0.97  10.0   6.17  44.17) =  93.536%  kept
          HD2   ARG+  54 - HN    CYS   53   6.35 +/- 1.36  14.608% * 17.0715% (0.92   1.0   4.65  31.55) =   4.773%  kept
          QB    PHE   55 - HN    CYS   53   5.13 +/- 0.26  14.593% *  6.0184% (0.97   1.0   1.57   0.02) =   1.681%  kept
          HD3   PRO   93 - HN    CYS   53  10.08 +/- 3.70   4.272% *  0.0793% (1.00   1.0   0.02   0.02) =   0.006%
          HB2   PHE   59 - HN    CYS   53  10.99 +/- 1.45   2.185% *  0.0607% (0.76   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    CYS   53  19.19 +/- 4.53   0.625% *  0.0788% (0.99   1.0   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.69, support = 2.65, residual support = 6.39:
          QB    CYS   50 - HN    CYS   53   4.46 +/- 0.92  62.376% * 75.5339% (0.69   2.84   7.02) =  90.528%  kept
          QE    LYS+  74 - HN    CYS   53  11.78 +/- 4.10  20.774% * 23.4613% (0.73   0.83   0.34) =   9.365%  kept
          HB3   ASP-  78 - HN    CYS   53  15.71 +/- 4.70   5.262% *  0.6465% (0.84   0.02   0.02) =   0.065%
          HB3   ASN   69 - HN    CYS   53  21.99 +/- 4.92   6.853% *  0.2389% (0.31   0.02   0.02) =   0.031%
          HB3   HIS  122 - HN    CYS   53  17.56 +/- 4.23   4.734% *  0.1194% (0.15   0.02   0.02) =   0.011%
    Distance limit 4.66 A violated in 0 structures by 0.08 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 55.6:
          HG2   PRO   52 - HN    CYS   53   3.20 +/- 0.46  83.732% * 94.9798% (0.25   7.20  55.65) =  99.881%  kept
          HG2   MET   92 - HN    CYS   53  12.41 +/- 3.34   3.866% *  0.8084% (0.76   0.02   0.02) =   0.039%
          HB2   GLU-  79 - HN    CYS   53  17.73 +/- 4.89   4.408% *  0.6416% (0.61   0.02   0.02) =   0.036%
          QG    GLU- 114 - HN    CYS   53  12.21 +/- 2.25   2.571% *  0.7266% (0.69   0.02   0.02) =   0.023%
          HB2   ASP-  44 - HN    CYS   53  12.67 +/- 2.35   2.195% *  0.2637% (0.25   0.02   0.02) =   0.007%
          QB    MET   11 - HN    CYS   53  27.73 +/- 5.81   0.560% *  0.8470% (0.80   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    CYS   53  15.38 +/- 3.28   1.155% *  0.1431% (0.14   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    CYS   53  18.08 +/- 3.27   0.755% *  0.1852% (0.18   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    CYS   53  24.79 +/- 3.53   0.322% *  0.3608% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    CYS   53  32.36 +/- 3.44   0.129% *  0.8084% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  24.58 +/- 3.28   0.307% *  0.2355% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.936, support = 7.01, residual support = 54.3:
          HG3   PRO   52 - HN    CYS   53   4.14 +/- 0.32  48.308% * 90.6566% (0.98   7.20  55.65) =  94.539%  kept
          HB2   ARG+  54 - HN    CYS   53   5.11 +/- 0.68  29.905% *  8.3668% (0.18   3.72  31.55) =   5.401%  kept
          HB2   PRO   93 - HN    CYS   53   9.35 +/- 3.69  14.245% *  0.1056% (0.41   0.02   0.02) =   0.032%
          HG2   PRO   58 - HN    CYS   53  11.00 +/- 1.53   3.837% *  0.2517% (0.98   0.02   0.02) =   0.021%
          HB2   PRO   68 - HN    CYS   53  21.20 +/- 5.28   1.869% *  0.0714% (0.28   0.02   0.02) =   0.003%
          HG2   MET   11 - HN    CYS   53  31.65 +/- 6.91   0.253% *  0.2568% (1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    CYS   53  27.83 +/- 3.83   0.199% *  0.2563% (1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  16.12 +/- 2.64   1.383% *  0.0348% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.668, support = 7.37, residual support = 53.6:
      O   HB3   PRO   52 - HN    CYS   53   3.83 +/- 0.46  55.296% * 77.7207% (0.65  10.0   7.68  55.65) =  91.431%  kept
          HG2   ARG+  54 - HN    CYS   53   5.69 +/- 0.54  18.692% * 21.4588% (0.90   1.0   3.98  31.55) =   8.533%  kept
          HB3   ASP- 105 - HN    CYS   53  19.04 +/- 3.90   4.366% *  0.1042% (0.87   1.0   0.02   0.02) =   0.010%
          HG    LEU  123 - HN    CYS   53  18.20 +/- 4.29   4.115% *  0.0777% (0.65   1.0   0.02   0.02) =   0.007%
          HB    ILE   56 - HN    CYS   53   8.10 +/- 1.31   9.094% *  0.0238% (0.20   1.0   0.02   0.02) =   0.005%
          HG3   PRO   68 - HN    CYS   53  20.35 +/- 5.37   1.855% *  0.1136% (0.95   1.0   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    CYS   53  16.04 +/- 2.98   2.926% *  0.0680% (0.57   1.0   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    CYS   53  17.19 +/- 3.70   1.105% *  0.0825% (0.69   1.0   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    CYS   53  22.98 +/- 3.61   0.576% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    CYS   53  18.56 +/- 3.95   0.869% *  0.0729% (0.61   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    CYS   53  21.65 +/- 3.06   0.501% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  25.67 +/- 2.55   0.240% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.70 +/- 2.17   0.366% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 5.84, residual support = 44.1:
        T HN    GLN   32 - HN    LEU   31   2.70 +/- 0.18  80.439% * 96.7244% (0.78 10.00   5.86  44.33) =  99.421%  kept
          HN    ALA   34 - HN    LEU   31   4.59 +/- 0.32  17.507% *  2.5802% (0.14  1.00   2.89  11.55) =   0.577%  kept
          HN    SER   85 - HN    LEU   31  19.89 +/- 6.42   0.394% *  0.1155% (0.93  1.00   0.02   0.02) =   0.001%
        T HN    GLN   32 - HN    PHE   55  27.71 +/- 3.17   0.088% *  0.4718% (0.38 10.00   0.02   0.02) =   0.001%
          HN    THR   94 - HN    PHE   55  12.72 +/- 2.08   1.040% *  0.0141% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  22.91 +/- 2.39   0.157% *  0.0564% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.53 +/- 2.31   0.284% *  0.0289% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  26.99 +/- 2.69   0.091% *  0.0087% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.546, support = 7.08, residual support = 50.2:
        T HN    GLN   30 - HN    LEU   31   2.56 +/- 0.11  81.433% * 78.2937% (0.53 10.00   7.29  52.86) =  94.925%  kept
          HN    GLU-  29 - HN    LEU   31   4.42 +/- 0.28  16.171% * 21.0679% (0.91  1.00   3.11   0.41) =   5.073%  kept
          HN    VAL   18 - HN    LEU   31  13.53 +/- 2.84   1.311% *  0.0384% (0.26  1.00   0.02   0.02) =   0.001%
          HN    ASP-  86 - HN    LEU   31  18.80 +/- 6.70   0.515% *  0.0895% (0.60  1.00   0.02   0.02) =   0.001%
        T HN    GLN   30 - HN    PHE   55  25.57 +/- 3.57   0.109% *  0.3819% (0.26 10.00   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    PHE   55  26.92 +/- 3.88   0.096% *  0.0661% (0.44  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  23.10 +/- 2.10   0.122% *  0.0436% (0.29  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  21.03 +/- 4.34   0.243% *  0.0188% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 21.0:
      O   HA    PHE   55 - HN    PHE   55   2.80 +/- 0.06  76.195% * 98.5811% (0.48  10.0   3.32  21.03) =  99.855%  kept
          HA    TRP   27 - HN    LEU   31   4.48 +/- 0.26  19.173% *  0.5439% (0.13   1.0   0.40  23.75) =   0.139%  kept
          HA    ALA  110 - HN    PHE   55  12.37 +/- 3.90   1.829% *  0.1458% (0.71   1.0   0.02   0.02) =   0.004%
          HA    VAL  107 - HN    PHE   55  15.05 +/- 1.96   0.747% *  0.0920% (0.45   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    PHE   55  16.40 +/- 3.69   0.623% *  0.0668% (0.33   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    PHE   55  19.03 +/- 2.93   0.297% *  0.1301% (0.64   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  22.47 +/- 4.61   0.206% *  0.0986% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.60 +/- 1.61   0.206% *  0.0697% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  25.18 +/- 2.61   0.119% *  0.1104% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.99 +/- 4.43   0.254% *  0.0506% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  25.83 +/- 3.87   0.142% *  0.0747% (0.37   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.88 +/- 3.81   0.207% *  0.0362% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.785, support = 3.03, residual support = 20.6:
      O   QB    PHE   55 - HN    PHE   55   2.09 +/- 0.08  80.627% * 82.4423% (0.79  10.0   3.01  21.03) =  97.489%  kept
          HD2   ARG+  54 - HN    PHE   55   4.91 +/- 0.90  11.192% * 13.8551% (0.69   1.0   3.84   3.84) =   2.274%  kept
          HB3   CYS   53 - HN    PHE   55   5.31 +/- 0.27   5.112% *  3.1132% (0.73   1.0   0.81   0.02) =   0.233%  kept
          HB2   PHE   59 - HN    PHE   55   9.10 +/- 1.07   1.141% *  0.0695% (0.66   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    PHE   55  11.85 +/- 3.86   0.937% *  0.0830% (0.79   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    LEU   31  15.93 +/- 2.97   0.311% *  0.0630% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  18.55 +/- 3.69   0.222% *  0.0832% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.89 +/- 3.42   0.099% *  0.0629% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  20.77 +/- 3.13   0.117% *  0.0526% (0.50   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  22.87 +/- 3.07   0.082% *  0.0624% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  23.32 +/- 2.86   0.082% *  0.0582% (0.56   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  26.77 +/- 4.58   0.078% *  0.0547% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (4.14, 7.84, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.328, support = 3.52, residual support = 8.77:
      O   HA    ARG+  54 - HN    PHE   55   3.52 +/- 0.04  39.377% * 65.6068% (0.25  10.0   3.20   3.84) =  67.571%  kept
          HA    ASN   28 - HN    LEU   31   3.43 +/- 0.20  42.487% * 28.6286% (0.50   1.0   4.26  19.42) =  31.814%  kept
          HA    THR   26 - HN    LEU   31   6.82 +/- 0.32   5.520% *  3.9060% (0.39   1.0   0.75   0.02) =   0.564%  kept
          HA    ALA   34 - HN    LEU   31   6.89 +/- 0.49   5.634% *  0.1554% (0.58   1.0   0.02  11.55) =   0.023%
          HA1   GLY  101 - HN    LEU   31  12.84 +/- 4.11   2.836% *  0.1607% (0.60   1.0   0.02   0.02) =   0.012%
          HA    LEU  115 - HN    PHE   55  11.42 +/- 1.27   1.416% *  0.1844% (0.69   1.0   0.02   4.78) =   0.007%
          HA    GLU- 114 - HN    PHE   55  13.46 +/- 1.52   0.798% *  0.2011% (0.75   1.0   0.02   0.02) =   0.004%
          HA    LEU  115 - HN    LEU   31  21.48 +/- 3.19   0.223% *  0.1397% (0.52   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    PHE   55  25.62 +/- 3.44   0.128% *  0.1775% (0.66   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU   31  26.20 +/- 8.62   0.624% *  0.0358% (0.13   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LEU   31  24.96 +/- 3.60   0.141% *  0.1523% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    PHE   55  27.90 +/- 3.04   0.099% *  0.2121% (0.79   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  26.63 +/- 2.59   0.100% *  0.2051% (0.77   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    PHE   55  26.42 +/- 4.35   0.143% *  0.1375% (0.51   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    PHE   55  21.64 +/- 4.14   0.328% *  0.0473% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.72 +/- 3.42   0.146% *  0.0497% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.16, residual support = 231.7:
      O   HA    LEU   31 - HN    LEU   31   2.78 +/- 0.06  99.845% * 99.9512% (0.60  10.0   7.16 231.74) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.14 +/- 2.77   0.155% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.508, support = 6.12, residual support = 45.6:
          HB2   GLN   30 - HN    LEU   31   3.24 +/- 0.36  40.700% * 34.2095% (0.48   6.20  52.86) =  50.379%  kept
          HG3   GLN   30 - HN    LEU   31   4.73 +/- 0.96  19.532% * 49.3159% (0.60   7.22  52.86) =  34.853%  kept
          HB2   ARG+  54 - HN    PHE   55   3.57 +/- 0.34  28.220% * 14.4266% (0.39   3.26   3.84) =  14.731%  kept
          HB3   GLU- 100 - HN    LEU   31  13.28 +/- 4.00   1.374% *  0.1196% (0.52   0.02   0.02) =   0.006%
          HB    ILE  119 - HN    PHE   55  12.59 +/- 2.10   0.998% *  0.1457% (0.64   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    LEU   31  16.96 +/- 3.88   0.944% *  0.1196% (0.52   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - HN    PHE   55  12.27 +/- 3.12   0.975% *  0.1031% (0.45   0.02   0.02) =   0.004%
          HB2   PRO   93 - HN    PHE   55  10.85 +/- 3.88   1.992% *  0.0405% (0.18   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    PHE   55  20.09 +/- 4.37   0.421% *  0.1579% (0.69   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    LEU   31  13.17 +/- 3.49   0.987% *  0.0671% (0.29   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LEU   31  13.84 +/- 3.31   0.983% *  0.0671% (0.29   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    LEU   31  10.45 +/- 0.34   1.147% *  0.0426% (0.19   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    PHE   55  16.80 +/- 1.55   0.294% *  0.1031% (0.45   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LEU   31  22.40 +/- 5.10   0.226% *  0.1104% (0.48   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    PHE   55  23.80 +/- 3.85   0.133% *  0.1804% (0.79   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  23.76 +/- 3.42   0.130% *  0.1457% (0.64   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  22.53 +/- 3.72   0.158% *  0.0886% (0.39   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LEU   31  21.84 +/- 2.37   0.139% *  0.0781% (0.34   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  24.10 +/- 2.99   0.120% *  0.0886% (0.39   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  29.14 +/- 2.97   0.067% *  0.1579% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.09 +/- 5.13   0.116% *  0.0562% (0.25   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.57 +/- 3.88   0.094% *  0.0671% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.54 +/- 2.73   0.072% *  0.0781% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  20.67 +/- 2.59   0.179% *  0.0307% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.16, residual support = 231.7:
      O   HB2   LEU   31 - HN    LEU   31   2.70 +/- 0.25  79.040% * 98.5368% (0.78  10.0   7.16 231.74) =  99.983%  kept
          HG    LEU   98 - HN    LEU   31  11.94 +/- 3.21   2.274% *  0.1023% (0.81   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    LEU   31  12.43 +/- 4.00   3.321% *  0.0574% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    PHE   55  10.58 +/- 3.55   3.635% *  0.0418% (0.33   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    LEU   31  16.77 +/- 7.50   1.033% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   55  12.39 +/- 2.66   1.950% *  0.0570% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LEU   31  15.45 +/- 2.39   0.607% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   31  15.98 +/- 3.35   0.590% *  0.1169% (0.92   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  12.65 +/- 3.18   1.331% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   31  22.45 +/- 7.26   0.512% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  11.45 +/- 1.43   1.261% *  0.0443% (0.35   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  13.03 +/- 2.19   0.967% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  16.68 +/- 4.56   0.604% *  0.0902% (0.71   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    PHE   55  18.67 +/- 3.47   0.459% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.58 +/- 2.35   0.234% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  17.26 +/- 2.35   0.442% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  21.10 +/- 3.18   0.252% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.50 +/- 3.02   0.230% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  16.96 +/- 2.57   0.392% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  27.06 +/- 2.89   0.088% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.16 +/- 2.49   0.452% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.17 +/- 2.88   0.100% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  25.80 +/- 3.46   0.159% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  29.97 +/- 2.82   0.066% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.16, residual support = 231.7:
      O   HB3   LEU   31 - HN    LEU   31   3.49 +/- 0.10  64.546% * 99.4260% (0.83  10.0   7.16 231.74) =  99.981%  kept
          QB    ALA   20 - HN    LEU   31  10.15 +/- 1.25   3.538% *  0.0994% (0.83   1.0   0.02   0.02) =   0.005%
          HD3   LYS+ 112 - HN    PHE   55   8.17 +/- 3.25  13.062% *  0.0167% (0.14   1.0   0.02   0.84) =   0.003%
          HG13  ILE  119 - HN    PHE   55  11.95 +/- 2.28   2.261% *  0.0499% (0.42   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    LEU   31  22.20 +/- 7.28   1.798% *  0.0583% (0.49   1.0   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.94 +/- 0.44   4.008% *  0.0247% (0.21   1.0   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    LEU   31  21.15 +/- 4.79   0.887% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    PHE   55  16.58 +/- 4.40   1.690% *  0.0485% (0.41   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    PHE   55  18.77 +/- 3.74   2.703% *  0.0285% (0.24   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    PHE   55  10.71 +/- 1.73   2.842% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    LEU   31  16.68 +/- 1.45   0.647% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.78 +/- 4.48   1.615% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  25.54 +/- 2.82   0.190% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  24.89 +/- 2.97   0.212% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.622, support = 7.21, residual support = 207.3:
          HG    LEU   31 - HN    LEU   31   2.37 +/- 0.57  62.895% * 64.8748% (0.64   7.73 231.74) =  88.463%  kept
          QD1   ILE   56 - HN    PHE   55   4.50 +/- 1.07  22.324% * 20.9142% (0.45   3.54  22.25) =  10.123%  kept
          QD2   LEU   73 - HN    LEU   31   8.35 +/- 3.59   4.775% * 13.4735% (0.78   1.32   0.41) =   1.395%  kept
          HG3   LYS+ 121 - HN    LEU   31  21.44 +/- 7.28   2.685% *  0.1680% (0.64   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    LEU   31   6.97 +/- 2.32   5.256% *  0.0428% (0.16   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    PHE   55  15.31 +/- 3.76   0.715% *  0.0996% (0.38   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    LEU   31  18.60 +/- 2.44   0.279% *  0.2423% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  18.79 +/- 4.07   0.813% *  0.0819% (0.31   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    PHE   55  24.47 +/- 3.39   0.109% *  0.0819% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.73 +/- 1.53   0.149% *  0.0209% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.91, residual support = 231.7:
          QD2   LEU   31 - HN    LEU   31   2.00 +/- 0.24  97.326% * 97.7543% (0.18   6.91 231.74) =  99.964%  kept
          QG2   VAL   43 - HN    LEU   31   9.93 +/- 3.50   2.254% *  1.4166% (0.92   0.02   0.02) =   0.034%
          QG2   VAL   43 - HN    PHE   55  15.22 +/- 1.87   0.285% *  0.6911% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   31 - HN    PHE   55  19.74 +/- 2.70   0.135% *  0.1380% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.671, support = 0.838, residual support = 0.581:
          QD1   LEU   73 - HN    LEU   31   8.27 +/- 4.65  25.002% * 49.3562% (0.60   1.05   0.41) =  67.061%  kept
          QD1   LEU  104 - HN    LEU   31  11.60 +/- 3.64  12.886% * 35.3742% (0.92   0.49   0.11) =  24.771%  kept
          QD2   LEU  115 - HN    PHE   55   7.57 +/- 1.29  13.696% *  7.8339% (0.43   0.23   4.78) =   5.831%  kept
          QD2   LEU   80 - HN    LEU   31  12.75 +/- 7.15   9.793% *  1.4054% (0.90   0.02   0.02) =   0.748%  kept
          QD1   LEU   63 - HN    LEU   31  12.60 +/- 3.50  10.413% *  0.9421% (0.60   0.02   0.02) =   0.533%  kept
          QG1   VAL   83 - HN    LEU   31  12.43 +/- 6.45   9.229% *  0.9421% (0.60   0.02   0.02) =   0.472%  kept
          QD1   LEU   63 - HN    PHE   55  10.79 +/- 2.25   7.508% *  0.4596% (0.29   0.02   0.02) =   0.188%  kept
          QD1   LEU   73 - HN    PHE   55  15.85 +/- 4.23   5.536% *  0.4596% (0.29   0.02   0.02) =   0.138%  kept
          QD2   LEU  115 - HN    LEU   31  18.36 +/- 2.79   1.233% *  1.3776% (0.88   0.02   0.02) =   0.092%
          QD1   LEU  104 - HN    PHE   55  18.65 +/- 3.31   2.007% *  0.7041% (0.45   0.02   0.02) =   0.077%
          QD2   LEU   80 - HN    PHE   55  18.09 +/- 3.18   1.707% *  0.6856% (0.44   0.02   0.02) =   0.064%
          QG1   VAL   83 - HN    PHE   55  18.13 +/- 1.76   0.991% *  0.4596% (0.29   0.02   0.02) =   0.025%
    Distance limit 4.79 A violated in 0 structures by 0.40 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.663, support = 8.19, residual support = 52.1:
          HB3   GLN   30 - HN    LEU   31   3.10 +/- 0.49  71.788% * 88.1669% (0.68   8.30  52.86) =  97.580%  kept
          HB    ILE   56 - HN    PHE   55   5.89 +/- 0.73  15.365% * 10.1087% (0.17   3.77  22.25) =   2.395%  kept
          HB3   PRO   58 - HN    PHE   55  10.16 +/- 1.19   2.868% *  0.1400% (0.44   0.02   0.02) =   0.006%
          HB3   GLU-  14 - HN    LEU   31  14.03 +/- 4.14   3.071% *  0.1098% (0.35   0.02   0.02) =   0.005%
          HB3   LYS+  38 - HN    LEU   31  12.30 +/- 1.41   1.635% *  0.1540% (0.49   0.02   0.02) =   0.004%
          HB2   MET   92 - HN    PHE   55  14.41 +/- 3.90   1.415% *  0.1239% (0.39   0.02   0.02) =   0.003%
          HB2   MET   92 - HN    LEU   31  23.30 +/- 4.18   0.498% *  0.2539% (0.81   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    LEU   31  22.44 +/- 3.50   0.430% *  0.2869% (0.91   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    LEU   31  19.83 +/- 4.32   0.548% *  0.1657% (0.53   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  14.43 +/- 2.85   0.947% *  0.0452% (0.14   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LEU   31  22.73 +/- 2.75   0.290% *  0.1098% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.86 +/- 3.34   0.229% *  0.1037% (0.33   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  30.70 +/- 7.11   0.145% *  0.0808% (0.26   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.37 +/- 1.62   0.518% *  0.0220% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  29.01 +/- 2.90   0.116% *  0.0751% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  27.17 +/- 3.99   0.138% *  0.0536% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.546, support = 6.25, residual support = 44.3:
          HG2   GLN   30 - HN    LEU   31   4.77 +/- 0.48  51.098% * 68.8094% (0.49   7.59  52.86) =  74.460%  kept
          HB3   ASN   28 - HN    LEU   31   5.29 +/- 0.25  39.011% * 30.9043% (0.71   2.35  19.42) =  25.532%  kept
          QE    LYS+ 121 - HN    LEU   31  19.52 +/- 6.38   4.476% *  0.0466% (0.13   0.02   0.02) =   0.004%
          QE    LYS+ 121 - HN    PHE   55  16.91 +/- 3.10   4.495% *  0.0228% (0.06   0.02   0.02) =   0.002%
          HG2   GLN   30 - HN    PHE   55  24.06 +/- 3.93   0.578% *  0.0884% (0.24   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    PHE   55  27.64 +/- 3.74   0.342% *  0.1285% (0.35   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.09 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.69, residual support = 52.7:
      O   HA    GLN   30 - HN    LEU   31   3.60 +/- 0.04  56.259% * 98.0890% (0.64  10.0   6.70  52.86) =  99.676%  kept
          HB2   CYS   53 - HN    PHE   55   5.20 +/- 0.24  18.999% *  0.8483% (0.13   1.0   0.88   0.02) =   0.291%  kept
          HD3   PRO   52 - HN    PHE   55   6.62 +/- 0.38   9.341% *  0.0532% (0.35   1.0   0.02   0.43) =   0.009%
          QB    SER   13 - HN    LEU   31  14.57 +/- 4.18   3.209% *  0.1091% (0.71   1.0   0.02   0.02) =   0.006%
          HB    THR   39 - HN    LEU   31  10.44 +/- 1.79   3.307% *  0.1037% (0.68   1.0   0.02   0.02) =   0.006%
          HB3   SER   37 - HN    LEU   31   9.95 +/- 1.02   2.945% *  0.0808% (0.53   1.0   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    LEU   31  18.48 +/- 8.42   1.513% *  0.1400% (0.91   1.0   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   31  20.95 +/- 3.91   0.373% *  0.0808% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    PHE   55  13.25 +/- 2.00   1.620% *  0.0155% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  18.35 +/- 2.95   0.535% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  27.18 +/- 3.50   0.167% *  0.1091% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  20.41 +/- 3.94   0.502% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  24.82 +/- 4.11   0.274% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  25.25 +/- 3.04   0.200% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  23.54 +/- 2.78   0.276% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  25.96 +/- 3.43   0.188% *  0.0479% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  25.91 +/- 2.84   0.174% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.81 +/- 2.59   0.118% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (4.13, 7.87, 121.30 ppm):
    18 chemical-shift based assignments, quality = 0.612, support = 6.61, residual support = 169.2:
      O   HA    ARG+  54 - HN    ARG+  54   2.75 +/- 0.05  89.094% * 99.0002% (0.61  10.0   6.61 169.22) =  99.994%  kept
          HA    LEU  115 - HN    ARG+  54  12.59 +/- 1.70   1.184% *  0.1527% (0.94   1.0   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    ARG+  54  14.88 +/- 1.90   0.729% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  10.29 +/- 1.64   2.360% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ASP-  62   9.98 +/- 1.89   2.622% *  0.0185% (0.11   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ARG+  54  22.98 +/- 4.55   0.351% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  25.48 +/- 3.39   0.145% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.85 +/- 2.72   0.112% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  13.92 +/- 1.73   0.840% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.14 +/- 3.16   0.103% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  19.31 +/- 3.36   0.432% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  20.46 +/- 3.69   0.351% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  18.61 +/- 1.88   0.335% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  26.27 +/- 4.29   0.154% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  21.80 +/- 3.08   0.248% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  17.76 +/- 1.44   0.358% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  20.25 +/- 3.45   0.355% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  21.47 +/- 2.71   0.226% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.11, residual support = 92.4:
      O   HB2   TRP   49 - HN    TRP   49   3.58 +/- 0.11  92.171% * 99.6106% (0.98  10.0   4.11  92.42) =  99.992%  kept
          HA2   GLY  109 - HN    TRP   49  15.79 +/- 4.64   4.274% *  0.0911% (0.90   1.0   0.02   0.02) =   0.004%
          HA    ALA   84 - HN    TRP   49  13.77 +/- 2.14   2.102% *  0.1007% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    TRP   49  19.61 +/- 3.15   0.790% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    TRP   49  20.57 +/- 2.97   0.663% *  0.1014% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.52, residual support = 15.6:
          QB    ALA   47 - HE1   TRP   49   3.06 +/- 1.75  71.085% * 98.5547% (1.00   2.53  15.59) =  99.785%  kept
          HG2   LYS+ 112 - HE1   TRP   49  12.24 +/- 5.43  26.125% *  0.5367% (0.69   0.02   0.02) =   0.200%  kept
          QG1   VAL   42 - HE1   TRP   49  13.84 +/- 1.75   1.107% *  0.7540% (0.97   0.02   0.02) =   0.012%
          QB    ALA   64 - HE1   TRP   49  13.97 +/- 2.21   1.683% *  0.1546% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.55 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 = 0.997, support = 3.72, residual support = 15.6:
          QB    ALA   47 - HN    TRP   49   2.67 +/- 0.48  91.736% * 99.0123% (1.00   3.72  15.59) =  99.969%  kept
          HG2   LYS+ 112 - HN    TRP   49  13.92 +/- 4.09   6.412% *  0.3668% (0.69   0.02   0.02) =   0.026%
          QG1   VAL   42 - HN    TRP   49  14.44 +/- 1.31   0.723% *  0.5153% (0.97   0.02   0.02) =   0.004%
          QB    ALA   64 - HN    TRP   49  13.73 +/- 2.28   1.130% *  0.1057% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.877, support = 0.183, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   6.56 +/- 1.94  47.513% * 73.6458% (0.90   0.19   0.02) =  93.564%  kept
          HD3   PRO   52 - HN    ALA   47   8.23 +/- 2.41  31.103% *  3.4819% (0.41   0.02   0.02) =   2.896%  kept
          HD2   PRO   58 - HN    ALA   47  12.84 +/- 3.51  10.535% *  6.7819% (0.80   0.02   0.02) =   1.910%  kept
          HA    VAL   83 - HN    ALA   47  14.66 +/- 1.66   6.780% *  6.1501% (0.73   0.02   0.02) =   1.115%  kept
          HA    GLN   30 - HN    ALA   47  22.77 +/- 3.42   2.611% *  4.1226% (0.49   0.02   0.02) =   0.288%  kept
          HA    GLU- 100 - HN    ALA   47  24.60 +/- 1.82   1.459% *  5.8178% (0.69   0.02   0.02) =   0.227%  kept
    Distance limit 4.45 A violated in 9 structures by 1.50 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.13, residual support = 39.5:
      O   HB2   ASP-  44 - HN    ASP-  44   2.79 +/- 0.40  82.169% * 96.1301% (0.87  10.0   3.13  39.67) =  99.655%  kept
          HB3   PHE   72 - HN    ASP-  44   6.83 +/- 1.39   7.867% *  3.4203% (0.76   1.0   0.81   0.02) =   0.339%  kept
          HG2   MET   92 - HN    ASP-  44  12.35 +/- 2.25   5.613% *  0.0194% (0.18   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  17.92 +/- 4.53   0.990% *  0.1048% (0.95   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP-  44  13.03 +/- 1.06   1.052% *  0.0761% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  44  17.93 +/- 3.58   0.505% *  0.0926% (0.84   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  13.17 +/- 2.09   1.146% *  0.0378% (0.34   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    ASP-  44  21.85 +/- 4.33   0.358% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.19 +/- 2.05   0.299% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.833, support = 1.11, residual support = 3.42:
          HB2   LEU   73 - HN    ASP-  44   7.12 +/- 1.91  28.031% * 65.8057% (0.87   1.24   4.04) =  84.507%  kept
          HB3   MET   92 - HN    ASP-  44  11.62 +/- 2.27  10.455% * 22.9014% (0.73   0.51   0.02) =  10.970%  kept
          HG3   PRO   93 - HN    ASP-  44  10.87 +/- 1.52   9.949% *  3.9469% (0.31   0.21   0.02) =   1.799%  kept
          HB    ILE   89 - HN    ASP-  44  10.14 +/- 1.48  10.458% *  2.2078% (0.15   0.23   0.02) =   1.058%  kept
          QD    LYS+ 106 - HN    ASP-  44  10.47 +/- 2.10  13.898% *  1.2028% (0.98   0.02   0.02) =   0.766%  kept
          QG1   ILE   56 - HN    ASP-  44  10.64 +/- 1.57   9.738% *  0.7443% (0.61   0.02   0.02) =   0.332%  kept
          QD    LYS+  99 - HN    ASP-  44  13.39 +/- 1.34   4.929% *  1.2162% (0.99   0.02   0.02) =   0.275%  kept
          HB3   LYS+  99 - HN    ASP-  44  13.13 +/- 1.27   5.131% *  0.5973% (0.49   0.02   0.02) =   0.140%  kept
          HD2   LYS+ 111 - HN    ASP-  44  17.60 +/- 3.09   2.639% *  0.7443% (0.61   0.02   0.02) =   0.090%
          HB2   LEU  123 - HN    ASP-  44  19.76 +/- 2.59   1.795% *  0.4186% (0.34   0.02   0.02) =   0.034%
          QD    LYS+ 102 - HN    ASP-  44  15.81 +/- 1.67   2.977% *  0.2149% (0.18   0.02   0.02) =   0.029%
    Distance limit 4.58 A violated in 13 structures by 1.58 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.612, support = 1.04, residual support = 4.04:
          HB2   LYS+  74 - HN    ASP-  44   7.14 +/- 1.14  31.203% * 45.3190% (0.65   1.16   4.74) =  65.074%  kept
          HD3   LYS+  74 - HN    ASP-  44   8.21 +/- 1.24  21.372% * 20.3537% (0.28   1.21   4.74) =  20.018%  kept
          QD    LYS+  66 - HN    ASP-  44  12.67 +/- 2.02   8.034% * 19.7113% (0.90   0.36   0.02) =   7.287%  kept
          HG2   LYS+  65 - HN    ASP-  44  12.07 +/- 3.17  13.214% * 10.9855% (0.95   0.19   0.02) =   6.680%  kept
          QG2   THR   26 - HN    ASP-  44  12.57 +/- 2.94   9.579% *  1.0825% (0.90   0.02   0.02) =   0.477%  kept
          HD2   LYS+ 121 - HN    ASP-  44  16.26 +/- 2.83   3.247% *  1.1831% (0.98   0.02   0.02) =   0.177%  kept
          HG    LEU  104 - HN    ASP-  44  13.05 +/- 1.80   6.832% *  0.4962% (0.41   0.02   0.02) =   0.156%  kept
          HB3   LYS+ 121 - HN    ASP-  44  16.37 +/- 2.55   3.273% *  0.4962% (0.41   0.02   0.02) =   0.075%
          HB3   LYS+ 111 - HN    ASP-  44  16.18 +/- 2.41   3.246% *  0.3725% (0.31   0.02   0.02) =   0.056%
    Distance limit 4.73 A violated in 10 structures by 1.60 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.96, residual support = 39.7:
      O   HB3   ASP-  44 - HN    ASP-  44   3.21 +/- 0.59  70.705% * 99.1884% (0.99  10.0   3.97  39.67) =  99.969%  kept
          HB2   LEU   63 - HN    ASP-  44   9.26 +/- 1.97   4.909% *  0.0947% (0.95   1.0   0.02   0.02) =   0.007%
          HB3   PRO   93 - HN    ASP-  44   8.83 +/- 1.33   5.373% *  0.0836% (0.84   1.0   0.02   0.02) =   0.006%
          HG    LEU   98 - HN    ASP-  44  10.05 +/- 1.73   4.335% *  0.0947% (0.95   1.0   0.02   0.02) =   0.006%
          HB3   LEU   80 - HN    ASP-  44  10.92 +/- 2.79   3.285% *  0.0868% (0.87   1.0   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    ASP-  44  10.27 +/- 0.93   2.635% *  0.0868% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HN    ASP-  44  13.82 +/- 2.76   1.440% *  0.0727% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    ASP-  44  10.77 +/- 2.02   3.236% *  0.0278% (0.28   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  17.45 +/- 2.43   0.706% *  0.0647% (0.65   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  20.03 +/- 2.49   0.371% *  0.0992% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  14.89 +/- 0.93   0.914% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  15.26 +/- 2.33   1.058% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.35 +/- 0.97   0.478% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.56 +/- 1.07   0.556% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.895, support = 4.7, residual support = 16.1:
          QG1   VAL   43 - HN    ASP-  44   3.82 +/- 0.81  52.381% * 92.2191% (0.90   4.78  16.35) =  98.333%  kept
          QG2   THR   46 - HN    ASP-  44   5.93 +/- 0.94  20.224% *  2.2689% (0.99   0.11   0.02) =   0.934%  kept
          QG1   VAL   41 - HN    ASP-  44   8.66 +/- 1.01   6.623% *  4.4076% (0.73   0.28   0.02) =   0.594%  kept
          QG2   VAL   18 - HN    ASP-  44  11.29 +/- 5.81   9.613% *  0.4294% (1.00   0.02   0.02) =   0.084%
          QD1   ILE   19 - HN    ASP-  44  12.07 +/- 4.64   4.117% *  0.3289% (0.76   0.02   0.02) =   0.028%
          QD2   LEU  104 - HN    ASP-  44  11.74 +/- 1.75   4.238% *  0.2610% (0.61   0.02   0.02) =   0.023%
          HG    LEU   31 - HN    ASP-  44  12.06 +/- 2.81   2.805% *  0.0852% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.31 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 = 0.637, support = 3.8, residual support = 16.0:
          QG2   VAL   43 - HN    ASP-  44   3.53 +/- 0.49  68.894% * 87.6247% (0.65   3.88  16.35) =  97.593%  kept
          QG2   VAL   83 - HN    ASP-  44   7.46 +/- 1.87  13.092% *  7.3055% (0.31   0.68   0.02) =   1.546%  kept
          QD1   ILE   89 - HN    ASP-  44   7.50 +/- 1.88  10.900% *  4.5359% (0.14   0.96   0.02) =   0.799%  kept
          QD2   LEU   31 - HN    ASP-  44   9.57 +/- 2.50   7.114% *  0.5338% (0.76   0.02   0.02) =   0.061%
    Distance limit 3.53 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.523, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   7.92 +/- 0.47  76.336% * 36.5033% (0.53   0.02   0.02) =  78.601%  kept
          HA    ASP-  78 - HN    VAL   43  15.05 +/- 1.64  12.185% * 42.0822% (0.61   0.02   0.02) =  14.464%  kept
          HA    THR   23 - HN    VAL   43  15.90 +/- 2.38  11.479% * 21.4145% (0.31   0.02   0.02) =   6.934%  kept
    Distance limit 4.62 A violated in 20 structures by 3.24 A, eliminated.
    Peak unassigned.
 
    Peak 1011 (5.33, 9.16, 125.94 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.5, residual support = 15.6:
          HA    MET   96 - HN    VAL   43   5.13 +/- 0.69 100.000% *100.0000% (0.53   1.50  15.58) = 100.000%  kept
    Distance limit 4.62 A violated in 2 structures by 0.54 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 2.95, residual support = 15.5:
          HB2   MET   96 - HN    VAL   43   3.53 +/- 0.76  75.240% * 94.2044% (0.97   2.96  15.58) =  99.707%  kept
          HB3   ASP-  76 - HN    VAL   43  12.37 +/- 1.67   3.018% *  3.6153% (0.49   0.23   0.02) =   0.153%  kept
          HB    VAL   70 - HN    VAL   43   8.60 +/- 1.21   9.384% *  0.5921% (0.90   0.02   0.02) =   0.078%
          QG    GLN   17 - HN    VAL   43  15.37 +/- 5.12   3.712% *  0.5514% (0.84   0.02   0.02) =   0.029%
          HB2   ASP- 105 - HN    VAL   43   9.61 +/- 1.46   5.519% *  0.1836% (0.28   0.02   0.02) =   0.014%
          HG2   GLU- 100 - HN    VAL   43  13.27 +/- 1.27   2.206% *  0.3738% (0.57   0.02   0.02) =   0.012%
          HB2   GLU-  25 - HN    VAL   43  18.39 +/- 2.28   0.922% *  0.4794% (0.73   0.02   0.02) =   0.006%
    Distance limit 4.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.22, residual support = 61.0:
      O   HB    VAL   43 - HN    VAL   43   2.94 +/- 0.44  92.808% * 99.7821% (0.87  10.0   4.22  61.01) =  99.996%  kept
          HB2   LYS+  99 - HN    VAL   43  10.08 +/- 1.34   2.862% *  0.0879% (0.76   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    VAL   43  16.79 +/- 1.41   0.624% *  0.0921% (0.80   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    VAL   43  11.51 +/- 2.11   2.227% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  17.04 +/- 5.21   1.480% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.797, support = 4.92, residual support = 33.1:
          HB    VAL   42 - HN    VAL   43   4.38 +/- 0.24  27.495% * 65.4670% (0.84   5.66  39.18) =  82.606%  kept
          HB3   LEU   73 - HN    VAL   43   8.12 +/- 2.33  10.425% * 17.0410% (0.90   1.37   2.53) =   8.153%  kept
          HG    LEU   98 - HN    VAL   43   6.38 +/- 2.01  17.055% *  6.3018% (0.49   0.94   0.02) =   4.932%  kept
          HB3   ASP-  44 - HN    VAL   43   6.46 +/- 0.46   8.614% *  8.4235% (0.25   2.44  16.35) =   3.330%  kept
          QB    LEU   98 - HN    VAL   43   5.32 +/- 1.25  19.542% *  0.9218% (0.18   0.38   0.02) =   0.827%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.16 +/- 1.62   5.494% *  0.2762% (1.00   0.02   0.02) =   0.070%
          HB3   PRO   93 - HN    VAL   43  11.03 +/- 1.69   2.507% *  0.1791% (0.65   0.02   0.02) =   0.021%
          QB    ALA   84 - HN    VAL   43  11.64 +/- 1.39   1.709% *  0.1679% (0.61   0.02   0.02) =   0.013%
          HG3   LYS+  65 - HN    VAL   43  13.61 +/- 2.26   1.060% *  0.2312% (0.84   0.02   0.02) =   0.011%
          HG3   LYS+ 102 - HN    VAL   43  13.86 +/- 1.43   0.855% *  0.2556% (0.92   0.02   0.02) =   0.010%
          HG3   LYS+  33 - HN    VAL   43  14.05 +/- 2.22   0.922% *  0.2116% (0.76   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - HN    VAL   43  16.60 +/- 2.15   0.588% *  0.2672% (0.97   0.02   0.02) =   0.007%
          HB2   LEU   63 - HN    VAL   43  10.20 +/- 1.63   2.739% *  0.0485% (0.18   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    VAL   43  19.19 +/- 3.16   0.504% *  0.1039% (0.38   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    VAL   43  19.18 +/- 3.48   0.488% *  0.1039% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.889, support = 5.2, residual support = 58.6:
          QG1   VAL   43 - HN    VAL   43   2.59 +/- 0.79  69.382% * 68.8831% (0.90   5.31  61.01) =  95.887%  kept
          QG1   VAL   41 - HN    VAL   43   6.51 +/- 0.60   6.646% * 30.0870% (0.73   2.86   1.46) =   4.012%  kept
          QD1   ILE   19 - HN    VAL   43  12.07 +/- 4.11   7.839% *  0.2212% (0.76   0.02   0.02) =   0.035%
          QG2   VAL   18 - HN    VAL   43  12.20 +/- 5.15   4.393% *  0.2889% (1.00   0.02   0.02) =   0.025%
          QD2   LEU  104 - HN    VAL   43   8.75 +/- 1.78   5.587% *  0.1756% (0.61   0.02   0.02) =   0.020%
          QG2   THR   46 - HN    VAL   43   8.88 +/- 1.17   3.130% *  0.2869% (0.99   0.02   0.02) =   0.018%
          HG    LEU   31 - HN    VAL   43  10.82 +/- 2.73   3.023% *  0.0573% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.709, support = 2.09, residual support = 1.49:
          QG2   VAL   41 - HN    VAL   43   5.04 +/- 0.57  22.343% * 89.6519% (0.73   2.23   1.46) =  92.528%  kept
          QD1   LEU   73 - HN    VAL   43   6.79 +/- 2.27  17.239% *  7.2433% (0.45   0.29   2.53) =   5.768%  kept
          QD2   LEU   98 - HN    VAL   43   4.85 +/- 1.43  26.501% *  0.5813% (0.53   0.02   0.02) =   0.712%  kept
          QD2   LEU   63 - HN    VAL   43   8.22 +/- 2.30  10.967% *  1.0830% (0.98   0.02   0.02) =   0.549%  kept
          QD1   LEU   63 - HN    VAL   43   8.03 +/- 2.27  10.148% *  0.4953% (0.45   0.02   0.02) =   0.232%  kept
          QD1   LEU   80 - HN    VAL   43  10.68 +/- 3.46   5.731% *  0.5813% (0.53   0.02   0.02) =   0.154%  kept
          QD2   LEU   80 - HN    VAL   43  10.70 +/- 3.00   5.048% *  0.1705% (0.15   0.02   0.02) =   0.040%
          QD2   LEU  115 - HN    VAL   43  11.25 +/- 1.99   2.023% *  0.1935% (0.18   0.02   0.02) =   0.018%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.963, support = 5.09, residual support = 39.1:
          QG1   VAL   42 - HN    VAL   43   2.87 +/- 0.41  84.513% * 97.5395% (0.97   5.10  39.18) =  99.701%  kept
          QB    ALA   64 - HN    VAL   43   6.98 +/- 1.68  13.348% *  1.7931% (0.20   0.46   0.02) =   0.289%  kept
          QB    ALA   47 - HN    VAL   43  12.15 +/- 1.31   1.408% *  0.3953% (1.00   0.02   0.02) =   0.007%
          HG2   LYS+ 112 - HN    VAL   43  16.30 +/- 3.13   0.731% *  0.2721% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.88 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 = 0.891, support = 0.02, residual support = 0.02:
          QG2   VAL   83 - HN    VAL   43   8.31 +/- 2.75  34.662% * 38.1246% (1.00   0.02   0.02) =  39.530%  kept
          QD1   ILE   89 - HN    VAL   43   8.34 +/- 2.45  32.679% * 34.1913% (0.90   0.02   0.02) =  33.423%  kept
          QD2   LEU   31 - HN    VAL   43   8.60 +/- 2.49  32.660% * 27.6841% (0.73   0.02   0.02) =  27.047%  kept
    Distance limit 4.10 A violated in 15 structures by 2.17 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.924, support = 5.84, residual support = 27.2:
          HB    VAL   41 - HN    VAL   42   3.84 +/- 0.71  48.267% * 89.6154% (0.97   6.04  28.76) =  94.442%  kept
          HB2   LEU   71 - HN    VAL   42   6.34 +/- 2.66  28.898% *  8.6816% (0.22   2.53   1.45) =   5.478%  kept
          HG12  ILE  103 - HN    VAL   42   9.27 +/- 1.13   4.881% *  0.3077% (1.00   0.02   0.02) =   0.033%
          QB    LYS+  66 - HN    VAL   42  11.06 +/- 1.71   3.193% *  0.2570% (0.84   0.02   0.02) =   0.018%
          QB    LYS+ 102 - HN    VAL   42  11.80 +/- 1.12   2.215% *  0.1049% (0.34   0.02   0.02) =   0.005%
          QB    LYS+  65 - HN    VAL   42  11.14 +/- 1.51   2.801% *  0.0767% (0.25   0.02   0.02) =   0.005%
          HG2   PRO   93 - HN    VAL   42  15.88 +/- 2.20   0.975% *  0.1742% (0.57   0.02   0.02) =   0.004%
          HG    LEU  123 - HN    VAL   42  18.90 +/- 4.17   0.595% *  0.2759% (0.90   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    VAL   42  11.58 +/- 1.83   2.211% *  0.0685% (0.22   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    VAL   42  11.64 +/- 0.96   2.261% *  0.0609% (0.20   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    VAL   42  10.74 +/- 1.28   2.788% *  0.0475% (0.15   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    VAL   42  20.58 +/- 2.82   0.444% *  0.2759% (0.90   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    VAL   42  19.99 +/- 2.08   0.472% *  0.0539% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.36 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 = 6.11, residual support = 88.5:
      O   HB    VAL   42 - HN    VAL   42   2.64 +/- 0.32  66.013% * 92.9637% (0.98  10.0   6.15  89.24) =  99.175%  kept
          QB    LEU   98 - HN    VAL   42   5.82 +/- 0.99   9.785% *  3.8627% (0.57   1.0   1.44   0.41) =   0.611%  kept
          HB3   LEU   73 - HN    VAL   42   7.96 +/- 1.44   4.960% *  2.5395% (0.95   1.0   0.57   0.64) =   0.204%  kept
          HB3   LYS+  74 - HN    VAL   42   9.59 +/- 1.93   6.905% *  0.0293% (0.31   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HN    VAL   42  11.17 +/- 2.20   1.071% *  0.0946% (1.00   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    VAL   42  11.03 +/- 1.23   1.127% *  0.0725% (0.76   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    VAL   42  12.70 +/- 1.76   0.774% *  0.0930% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    VAL   42   7.06 +/- 1.33   5.272% *  0.0128% (0.14   1.0   0.02   0.41) =   0.001%
          HG3   LYS+ 102 - HN    VAL   42  14.30 +/- 1.40   0.527% *  0.0875% (0.92   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   42  16.14 +/- 5.21   1.253% *  0.0264% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  17.18 +/- 2.83   0.298% *  0.0792% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  18.79 +/- 2.24   0.225% *  0.0823% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  14.02 +/- 3.37   0.709% *  0.0166% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  13.92 +/- 1.69   0.523% *  0.0211% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  13.88 +/- 1.32   0.558% *  0.0188% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 1.27, residual support = 1.89:
          QD1   LEU   40 - HN    VAL   42   4.24 +/- 1.06  74.795% * 97.9829% (0.98   1.28   1.90) =  99.586%  kept
          QD2   LEU   67 - HN    VAL   42   7.86 +/- 1.45  22.801% *  1.2545% (0.80   0.02   0.02) =   0.389%  kept
          QG1   VAL  108 - HN    VAL   42  14.64 +/- 1.05   2.404% *  0.7626% (0.49   0.02   0.02) =   0.025%
    Distance limit 4.58 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.804, support = 5.22, residual support = 33.5:
          QG1   VAL   41 - HN    VAL   42   4.20 +/- 0.36  35.593% * 46.6184% (0.73   5.45  28.76) =  53.473%  kept
          QG1   VAL   43 - HN    VAL   42   4.85 +/- 1.00  27.363% * 52.5432% (0.90   4.97  39.18) =  46.333%  kept
          QD1   ILE   19 - HN    VAL   42  10.44 +/- 4.56  12.949% *  0.1801% (0.76   0.02   0.02) =   0.075%
          QG2   VAL   18 - HN    VAL   42  11.33 +/- 5.13   8.779% *  0.2352% (1.00   0.02   0.02) =   0.067%
          QD2   LEU  104 - HN    VAL   42   8.80 +/- 1.29   4.671% *  0.1429% (0.61   0.02   0.02) =   0.022%
          QG2   THR   46 - HN    VAL   42  10.65 +/- 1.17   2.450% *  0.2336% (0.99   0.02   0.02) =   0.018%
          HG    LEU   31 - HN    VAL   42   9.24 +/- 2.48   8.194% *  0.0466% (0.20   0.02   0.02) =   0.012%
    Distance limit 4.14 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.719, support = 5.88, residual support = 27.9:
          QG2   VAL   41 - HN    VAL   42   3.47 +/- 0.33  47.811% * 89.4330% (0.73   6.04  28.76) =  97.100%  kept
          QD2   LEU   98 - HN    VAL   42   5.35 +/- 1.09  15.864% *  4.0404% (0.53   0.38   0.41) =   1.456%  kept
          QD1   LEU   73 - HN    VAL   42   6.68 +/- 1.56  10.225% *  5.5951% (0.45   0.61   0.64) =   1.299%  kept
          QD2   LEU   63 - HN    VAL   42   7.65 +/- 2.17   9.668% *  0.3997% (0.98   0.02   0.02) =   0.088%
          QD1   LEU   63 - HN    VAL   42   7.91 +/- 1.92   9.020% *  0.1828% (0.45   0.02   0.02) =   0.037%
          QD1   LEU   80 - HN    VAL   42  11.85 +/- 3.68   2.745% *  0.2146% (0.53   0.02   0.02) =   0.013%
          QD2   LEU   80 - HN    VAL   42  11.69 +/- 3.21   3.458% *  0.0629% (0.15   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    VAL   42  12.96 +/- 2.09   1.208% *  0.0714% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 89.2:
          QG1   VAL   42 - HN    VAL   42   3.63 +/- 0.27  97.304% * 99.2601% (0.87   5.45  89.24) =  99.990%  kept
          QB    ALA   47 - HN    VAL   42  14.37 +/- 1.10   1.687% *  0.3209% (0.76   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HN    VAL   42  18.55 +/- 2.96   1.008% *  0.4190% (1.00   0.02   0.02) =   0.004%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1025 (0.15, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.586, support = 5.14, residual support = 84.6:
          QG2   VAL   42 - HN    VAL   42   3.16 +/- 0.40  51.611% * 87.5714% (0.61   5.36  89.24) =  94.795%  kept
          QG2   VAL   70 - HN    VAL   42   3.71 +/- 1.21  40.697% *  4.6230% (0.14   1.27   0.62) =   3.946%  kept
          QG2   VAL   75 - HN    VAL   42   6.43 +/- 1.29   7.692% *  7.8057% (0.45   0.65   0.02) =   1.259%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 4.63, residual support = 75.3:
      O   HB    VAL   41 - HN    VAL   41   3.13 +/- 0.48  65.560% * 95.4664% (0.90  10.0   4.67  76.10) =  98.873%  kept
          HB2   LEU   71 - HN    VAL   41   7.01 +/- 2.43  17.612% *  3.9758% (0.61   1.0   1.23   2.84) =   1.106%  kept
          HG12  ILE  103 - HN    VAL   41   8.48 +/- 1.42   7.030% *  0.0814% (0.76   1.0   0.02   0.02) =   0.009%
          QB    LYS+ 102 - HN    VAL   41   9.37 +/- 1.35   3.507% *  0.0814% (0.76   1.0   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    VAL   41  12.65 +/- 2.01   2.274% *  0.1055% (0.99   1.0   0.02   0.02) =   0.004%
          QB    LYS+  65 - HN    VAL   41  13.36 +/- 1.13   1.109% *  0.0689% (0.65   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  19.33 +/- 5.08   0.816% *  0.0518% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   41  18.94 +/- 2.33   0.373% *  0.1007% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   41  16.01 +/- 4.39   1.515% *  0.0164% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.41 +/- 3.31   0.205% *  0.0518% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.185, support = 4.39, residual support = 20.8:
          HG    LEU   40 - HN    VAL   41   3.47 +/- 0.53  64.812% * 71.6006% (0.18   4.50  21.35) =  97.459%  kept
          HG    LEU   73 - HN    VAL   41   9.97 +/- 1.92   5.655% * 15.0481% (0.61   0.27   0.02) =   1.787%  kept
          QB    ALA   61 - HN    VAL   41  12.77 +/- 2.90   5.740% *  1.8123% (1.00   0.02   0.02) =   0.218%  kept
          HB3   LEU   67 - HN    VAL   41  10.61 +/- 2.19   3.662% *  1.7182% (0.95   0.02   0.02) =   0.132%  kept
          HD3   LYS+ 121 - HN    VAL   41  15.99 +/- 6.25   6.650% *  0.6196% (0.34   0.02   0.02) =   0.087%
          HG12  ILE   19 - HN    VAL   41  13.42 +/- 4.02   2.463% *  1.6289% (0.90   0.02   0.02) =   0.084%
          QG    LYS+  66 - HN    VAL   41  13.06 +/- 2.23   2.418% *  1.4544% (0.80   0.02   0.02) =   0.074%
          HG2   LYS+ 102 - HN    VAL   41  11.07 +/- 1.69   3.209% *  0.8841% (0.49   0.02   0.02) =   0.060%
          HG    LEU   80 - HN    VAL   41  17.34 +/- 4.04   0.811% *  1.7529% (0.97   0.02   0.02) =   0.030%
          HB3   LYS+  74 - HN    VAL   41  13.18 +/- 2.27   2.149% *  0.5606% (0.31   0.02   0.02) =   0.025%
          QB    ALA  110 - HN    VAL   41  18.19 +/- 1.76   0.572% *  1.7182% (0.95   0.02   0.02) =   0.021%
          HB2   LEU   80 - HN    VAL   41  16.98 +/- 3.68   0.883% *  0.8841% (0.49   0.02   0.02) =   0.016%
          HB3   LEU  115 - HN    VAL   41  16.46 +/- 2.71   0.974% *  0.3181% (0.18   0.02   0.02) =   0.007%
    Distance limit 3.71 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.785, support = 1.51, residual support = 6.77:
          QB    ALA   34 - HN    VAL   41   4.96 +/- 0.90  49.994% * 73.4546% (0.90   1.54   8.21) =  81.889%  kept
          QG2   THR   39 - HN    VAL   41   5.67 +/- 0.95  37.166% * 21.3042% (0.28   1.44   0.27) =  17.657%  kept
          HG3   LYS+  38 - HN    VAL   41  10.42 +/- 1.05   5.540% *  2.8764% (0.53   0.10   0.02) =   0.355%  kept
          QG2   THR   23 - HN    VAL   41  15.42 +/- 2.12   1.996% *  1.0567% (0.99   0.02   0.02) =   0.047%
          QG2   ILE   56 - HN    VAL   41  16.14 +/- 2.36   1.862% *  0.7742% (0.73   0.02   0.02) =   0.032%
          QG2   THR   77 - HN    VAL   41  14.01 +/- 1.47   2.262% *  0.2374% (0.22   0.02   0.02) =   0.012%
          QB    ALA   91 - HN    VAL   41  17.52 +/- 1.55   1.178% *  0.2964% (0.28   0.02   0.02) =   0.008%
    Distance limit 4.40 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 4.6, residual support = 21.2:
          QD2   LEU   40 - HN    VAL   41   2.61 +/- 0.76  66.802% * 91.8209% (0.92   4.64  21.35) =  99.008%  kept
          QD2   LEU   71 - HN    VAL   41   7.23 +/- 1.67   8.337% *  6.4045% (0.65   0.46   2.84) =   0.862%  kept
          QD1   LEU   67 - HN    VAL   41   8.07 +/- 1.87   8.785% *  0.4052% (0.95   0.02   0.02) =   0.057%
          QG2   ILE  103 - HN    VAL   41   8.41 +/- 0.84   4.301% *  0.4245% (0.99   0.02   0.02) =   0.029%
          QD1   ILE  103 - HN    VAL   41   8.42 +/- 1.41   7.952% *  0.2253% (0.53   0.02   0.02) =   0.029%
          HG3   LYS+  74 - HN    VAL   41  14.72 +/- 2.16   1.058% *  0.4274% (1.00   0.02   0.02) =   0.007%
          HB    VAL   75 - HN    VAL   41  11.52 +/- 1.41   1.664% *  0.1461% (0.34   0.02   0.02) =   0.004%
          QG2   ILE  119 - HN    VAL   41  14.82 +/- 3.54   1.101% *  0.1461% (0.34   0.02   0.02) =   0.003%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.54, residual support = 75.7:
          QG1   VAL   41 - HN    VAL   41   2.40 +/- 0.52  74.328% * 92.5238% (1.00   4.57  76.10) =  99.401%  kept
          QG1   VAL   43 - HN    VAL   41   7.04 +/- 1.28   6.237% *  6.1824% (0.95   0.32   1.46) =   0.557%  kept
          HG    LEU   31 - HN    VAL   41   9.13 +/- 1.72   2.930% *  0.2456% (0.61   0.02   0.02) =   0.010%
          QD2   LEU  104 - HN    VAL   41   6.61 +/- 1.27   7.980% *  0.0801% (0.20   0.02   0.02) =   0.009%
          QD2   LEU   73 - HN    VAL   41   8.05 +/- 1.71   3.038% *  0.1815% (0.45   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    VAL   41  11.30 +/- 3.45   3.237% *  0.1250% (0.31   0.02   0.02) =   0.006%
          QG2   VAL   18 - HN    VAL   41  12.80 +/- 3.86   1.209% *  0.3095% (0.76   0.02   0.02) =   0.005%
          QG2   THR   46 - HN    VAL   41  13.66 +/- 1.21   0.654% *  0.2619% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  15.23 +/- 1.84   0.387% *  0.0901% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.704, support = 4.03, residual support = 70.8:
          QG2   VAL   41 - HN    VAL   41   3.26 +/- 0.76  54.480% * 80.9597% (0.73   4.36  76.10) =  89.381%  kept
          QD2   LEU   98 - HN    VAL   41   4.71 +/- 1.57  29.438% * 17.6424% (0.53   1.31  26.26) =  10.525%  kept
          QD2   LEU   63 - HN    VAL   41   9.22 +/- 2.13   4.492% *  0.5015% (0.98   0.02   0.02) =   0.046%
          QD1   LEU   73 - HN    VAL   41   8.99 +/- 1.56   4.638% *  0.2294% (0.45   0.02   0.02) =   0.022%
          QD1   LEU   63 - HN    VAL   41   9.63 +/- 1.74   3.849% *  0.2294% (0.45   0.02   0.02) =   0.018%
          QD1   LEU   80 - HN    VAL   41  14.30 +/- 3.83   1.083% *  0.2692% (0.53   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    VAL   41  14.70 +/- 2.04   0.955% *  0.0896% (0.18   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    VAL   41  14.11 +/- 3.49   1.065% *  0.0789% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.176, support = 2.62, residual support = 2.61:
          QG2   VAL   70 - HN    VAL   41   4.78 +/- 1.03  78.846% * 98.3972% (0.18   2.63   2.62) =  99.565%  kept
          QG2   THR  118 - HN    VAL   41  11.45 +/- 3.38  21.154% *  1.6028% (0.38   0.02   0.02) =   0.435%  kept
    Distance limit 4.93 A violated in 0 structures by 0.30 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.675, support = 1.29, residual support = 14.8:
          HB2   SER   37 - HN    LEU   40   6.24 +/- 0.22  28.289% * 53.0306% (0.92   1.13   0.52) =  46.907%  kept
          HA    VAL   70 - HN    LEU   40   5.20 +/- 1.82  50.624% * 25.0318% (0.28   1.78  36.73) =  39.624%  kept
          HA1   GLY   16 - HN    LEU   40  14.25 +/- 6.88  19.875% * 21.6557% (0.98   0.44   0.02) =  13.458%  kept
          HA    GLN  116 - HN    LEU   40  19.64 +/- 3.66   1.212% *  0.2819% (0.28   0.02   0.02) =   0.011%
    Distance limit 4.64 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.407, support = 4.1, residual support = 24.1:
          HB    THR   39 - HN    LEU   40   3.82 +/- 0.68  77.150% * 84.2247% (0.41   4.18  24.72) =  97.498%  kept
          HB3   SER   37 - HN    LEU   40   7.41 +/- 0.52  13.447% * 11.8704% (0.28   0.87   0.52) =   2.395%  kept
          HA    GLN   30 - HN    LEU   40  11.09 +/- 1.98   5.522% *  0.9274% (0.95   0.02   0.02) =   0.077%
          QB    SER   13 - HN    LEU   40  15.33 +/- 2.53   1.799% *  0.4396% (0.45   0.02   0.02) =   0.012%
          HB3   SER   82 - HN    LEU   40  22.37 +/- 3.52   0.664% *  0.7493% (0.76   0.02   0.02) =   0.007%
          HD3   PRO   52 - HN    LEU   40  26.66 +/- 3.10   0.305% *  0.9610% (0.98   0.02   0.02) =   0.004%
          HB2   CYS   53 - HN    LEU   40  22.33 +/- 2.52   0.522% *  0.5551% (0.57   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   40  21.99 +/- 2.13   0.592% *  0.2726% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.474, support = 0.822, residual support = 6.98:
          QE    LYS+  99 - HN    LEU   40   5.10 +/- 1.18  52.342% * 47.2509% (0.57   0.65  10.79) =  63.016%  kept
          QE    LYS+  38 - HN    LEU   40   7.10 +/- 1.55  31.653% * 44.9465% (0.31   1.14   0.49) =  36.250%  kept
          HB2   PHE   97 - HN    LEU   40  11.18 +/- 1.21   5.588% *  2.4762% (0.97   0.02   1.40) =   0.353%  kept
          HB3   TRP   27 - HN    LEU   40  13.61 +/- 2.07   3.459% *  2.5150% (0.98   0.02   0.02) =   0.222%  kept
          QE    LYS+ 106 - HN    LEU   40  15.32 +/- 1.31   1.947% *  1.4526% (0.57   0.02   0.02) =   0.072%
          HB3   PHE   60 - HN    LEU   40  15.74 +/- 2.85   2.536% *  0.9630% (0.38   0.02   0.02) =   0.062%
          QE    LYS+ 102 - HN    LEU   40  14.15 +/- 1.71   2.474% *  0.3959% (0.15   0.02   0.02) =   0.025%
    Distance limit 4.82 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.96, residual support = 105.5:
      O   HB2   LEU   40 - HN    LEU   40   2.37 +/- 0.38  97.118% * 99.7221% (0.97  10.0   4.96 105.53) =  99.998%  kept
          HB3   MET   96 - HN    LEU   40  13.00 +/- 1.47   0.870% *  0.0954% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    LEU   40  16.26 +/- 3.22   0.469% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  15.27 +/- 5.00   1.009% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  20.91 +/- 4.80   0.414% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  24.64 +/- 3.22   0.121% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.652, support = 4.97, residual support = 105.5:
      O   HB3   LEU   40 - HN    LEU   40   2.82 +/- 0.40  64.033% * 68.7516% (0.61  10.0   4.81 105.53) =  85.447%  kept
          HG    LEU   40 - HN    LEU   40   4.21 +/- 0.37  24.418% * 30.6793% (0.92   1.0   5.86 105.53) =  14.540%  kept
          HG    LEU   67 - HN    LEU   40   9.39 +/- 2.08   2.691% *  0.1111% (0.98   1.0   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    LEU   40  12.19 +/- 2.79   2.773% *  0.0315% (0.28   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LEU   40  11.40 +/- 1.64   1.315% *  0.0508% (0.45   1.0   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LEU   40  17.36 +/- 4.07   0.611% *  0.0947% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40   9.60 +/- 2.41   2.988% *  0.0175% (0.15   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   40  13.91 +/- 1.90   0.637% *  0.0642% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   40  18.64 +/- 2.48   0.276% *  0.1046% (0.92   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   40  19.23 +/- 2.74   0.258% *  0.0947% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.479, support = 3.24, residual support = 16.1:
          QG2   THR   39 - HN    LEU   40   3.52 +/- 0.45  66.501% * 30.8387% (0.28   4.11  24.72) =  64.247%  kept
          QB    ALA   34 - HN    LEU   40   5.34 +/- 0.81  24.474% * 39.5385% (0.90   1.63   0.48) =  30.315%  kept
          HG3   LYS+  38 - HN    LEU   40   8.10 +/- 0.61   6.072% * 28.4247% (0.53   2.00   0.49) =   5.407%  kept
          QG2   THR   23 - HN    LEU   40  16.37 +/- 2.14   0.954% *  0.5354% (0.99   0.02   0.02) =   0.016%
          QG2   ILE   56 - HN    LEU   40  17.51 +/- 2.48   0.775% *  0.3923% (0.73   0.02   0.02) =   0.010%
          QG2   THR   77 - HN    LEU   40  16.28 +/- 1.67   0.820% *  0.1203% (0.22   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    LEU   40  20.21 +/- 1.84   0.402% *  0.1502% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.80 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 = 0.902, support = 1.31, residual support = 20.1:
          QG1   VAL   70 - HN    LEU   40   5.59 +/- 1.87  38.837% * 53.3806% (0.84   1.52  36.73) =  52.397%  kept
          QD1   LEU   71 - HN    LEU   40   4.94 +/- 2.09  42.347% * 44.2062% (0.98   1.08   1.89) =  47.314%  kept
          HB3   LEU  104 - HN    LEU   40  11.68 +/- 1.75   5.148% *  0.7738% (0.92   0.02   0.02) =   0.101%  kept
          QG1   VAL   18 - HN    LEU   40  12.56 +/- 4.43   6.214% *  0.6087% (0.73   0.02   0.02) =   0.096%
          QD1   LEU  123 - HN    LEU   40  15.96 +/- 4.93   3.437% *  0.8217% (0.98   0.02   0.02) =   0.071%
          HB3   LEU   63 - HN    LEU   40  11.90 +/- 2.63   4.016% *  0.2090% (0.25   0.02   0.02) =   0.021%
    Distance limit 4.17 A violated in 2 structures by 0.29 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.633, support = 4.1, residual support = 80.9:
          QD2   LEU   40 - HN    LEU   40   4.14 +/- 0.33  46.443% * 66.4116% (0.53   4.98 105.53) =  76.208%  kept
          QD2   LEU   71 - HN    LEU   40   5.93 +/- 1.97  30.143% * 31.6913% (0.98   1.28   1.89) =  23.603%  kept
          QD1   LEU   67 - HN    LEU   40   7.65 +/- 1.99  15.530% *  0.2871% (0.57   0.02   0.02) =   0.110%  kept
          QD1   ILE  103 - HN    LEU   40  11.79 +/- 1.45   2.426% *  0.4681% (0.92   0.02   0.02) =   0.028%
          QG2   ILE  103 - HN    LEU   40  11.60 +/- 0.90   2.437% *  0.3483% (0.69   0.02   0.02) =   0.021%
          QG2   ILE  119 - HN    LEU   40  15.54 +/- 3.86   1.874% *  0.3875% (0.76   0.02   0.02) =   0.018%
          HG3   LYS+  74 - HN    LEU   40  15.56 +/- 2.91   1.148% *  0.4060% (0.80   0.02   0.02) =   0.012%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.2, residual support = 36.7:
          QG2   VAL   70 - HN    LEU   40   4.62 +/- 1.24 100.000% *100.0000% (0.57   6.20  36.73) = 100.000%  kept
    Distance limit 4.48 A violated in 4 structures by 0.56 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.86, residual support = 2.81:
          HA    GLU-  36 - HN    THR   39   6.66 +/- 0.33  20.684% * 76.4696% (0.80   1.92   1.01) =  51.938%  kept
          HA    ALA   34 - HN    THR   39   3.58 +/- 1.40  72.763% * 20.0684% (0.22   1.81   4.76) =  47.949%  kept
          HA    ASN   28 - HN    THR   39  12.32 +/- 1.25   4.089% *  0.3739% (0.38   0.02   0.02) =   0.050%
          HA    ALA  124 - HN    THR   39  24.72 +/- 8.11   1.157% *  0.9614% (0.97   0.02   0.02) =   0.037%
          HA    LYS+  81 - HN    THR   39  24.67 +/- 2.31   0.357% *  0.8934% (0.90   0.02   0.02) =   0.010%
          HA    ARG+  54 - HN    THR   39  26.38 +/- 2.45   0.310% *  0.8934% (0.90   0.02   0.02) =   0.009%
          HA    LEU  115 - HN    THR   39  22.38 +/- 2.69   0.639% *  0.3398% (0.34   0.02   0.02) =   0.007%
    Distance limit 4.37 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.25, residual support = 10.0:
          HA    SER   37 - HN    THR   39   4.17 +/- 0.09  57.216% * 56.8615% (0.90   3.25   4.44) =  72.479%  kept
          HA    LEU   40 - HN    THR   39   5.26 +/- 0.39  29.806% * 41.3211% (0.65   3.27  24.72) =  27.438%  kept
          HA    GLU-  15 - HN    THR   39  14.07 +/- 5.43   5.299% *  0.3261% (0.84   0.02   0.02) =   0.038%
          HA    GLN   17 - HN    THR   39  15.74 +/- 5.17   2.511% *  0.3501% (0.90   0.02   0.02) =   0.020%
          HA    SER   13 - HN    THR   39  16.69 +/- 3.26   1.281% *  0.3261% (0.84   0.02   0.02) =   0.009%
          HA    VAL   42 - HN    THR   39  11.16 +/- 0.48   3.068% *  0.1332% (0.34   0.02   0.02) =   0.009%
          HA    PRO   58 - HN    THR   39  21.61 +/- 1.86   0.448% *  0.3126% (0.80   0.02   0.02) =   0.003%
          HA    THR   46 - HN    THR   39  22.66 +/- 1.13   0.372% *  0.3693% (0.95   0.02   0.02) =   0.003%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.403, support = 3.83, residual support = 36.5:
      O   HB    THR   39 - HN    THR   39   2.94 +/- 0.45  56.631% * 91.0882% (0.41  10.0   3.91  38.43) =  94.295%  kept
          HB3   SER   37 - HN    THR   39   3.50 +/- 0.50  38.763% *  8.0293% (0.28   1.0   2.61   4.44) =   5.690%  kept
          HA    GLN   30 - HN    THR   39   9.27 +/- 1.76   3.164% *  0.2096% (0.95   1.0   0.02   0.02) =   0.012%
          QB    SER   13 - HN    THR   39  14.91 +/- 3.11   1.003% *  0.0993% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    THR   39  23.22 +/- 4.44   0.170% *  0.1693% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    THR   39  29.86 +/- 2.96   0.063% *  0.2172% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.63 +/- 2.19   0.099% *  0.1254% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  24.27 +/- 1.68   0.106% *  0.0616% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.686, support = 3.79, residual support = 27.0:
          QG2   THR   39 - HN    THR   39   2.69 +/- 0.54  61.416% * 20.4923% (0.49   3.74  38.43) =  52.183%  kept
          QB    ALA   34 - HN    THR   39   3.84 +/- 0.68  28.560% * 24.0376% (1.00   2.14   4.76) =  28.465%  kept
          HG3   LYS+  38 - HN    THR   39   5.59 +/- 0.39   8.497% * 54.9126% (0.76   6.38  28.99) =  19.345%  kept
          QG2   THR   23 - HN    THR   39  16.14 +/- 1.67   0.352% *  0.1954% (0.87   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    THR   39  13.91 +/- 4.23   0.857% *  0.0446% (0.20   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    THR   39  20.47 +/- 2.20   0.176% *  0.2079% (0.92   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    THR   39  22.26 +/- 1.56   0.142% *  0.1096% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.63, residual support = 221.0:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.01  94.648% * 99.7734% (0.80  10.0   6.63 220.97) =  99.996%  kept
          HA    GLU- 100 - HN    LYS+  38   8.62 +/- 3.02   4.943% *  0.0705% (0.57   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HN    LYS+  38  22.37 +/- 4.53   0.127% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.08 +/- 1.16   0.221% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  26.34 +/- 2.28   0.062% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 221.0:
      O   HB2   LYS+  38 - HN    LYS+  38   3.04 +/- 0.12  94.073% * 99.7624% (1.00  10.0   5.95 220.97) =  99.998%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.30 +/- 1.23   1.021% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.27 +/- 1.29   1.662% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    LYS+  38  12.73 +/- 1.82   1.553% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  15.35 +/- 3.70   1.132% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.42 +/- 1.10   0.454% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  30.07 +/- 1.98   0.104% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 220.9:
      O   HB3   LYS+  38 - HN    LYS+  38   3.95 +/- 0.08  72.701% * 99.4497% (0.90  10.0   5.20 220.97) =  99.986%  kept
          HB3   GLN   30 - HN    LYS+  38  10.65 +/- 0.90   4.039% *  0.1099% (0.99   1.0   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    LYS+  38   6.43 +/- 0.64  18.926% *  0.0219% (0.20   1.0   0.02   0.02) =   0.006%
          HG3   MET   11 - HN    LYS+  38  20.37 +/- 5.30   2.240% *  0.0247% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LYS+  38  25.04 +/- 2.51   0.318% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.31 +/- 2.90   0.258% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  18.81 +/- 1.30   0.713% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  25.97 +/- 2.16   0.275% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.44 +/- 2.75   0.349% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  29.59 +/- 1.86   0.181% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.85, residual support = 220.9:
          HG2   LYS+  38 - HN    LYS+  38   3.28 +/- 0.35  88.360% * 98.4019% (0.65   5.85 220.97) =  99.972%  kept
          HG2   LYS+  99 - HN    LYS+  38   9.33 +/- 1.92   5.325% *  0.2736% (0.53   0.02   0.02) =   0.017%
          HB2   LEU   31 - HN    LYS+  38   9.49 +/- 1.00   4.704% *  0.1158% (0.22   0.02   0.02) =   0.006%
          QG2   THR   77 - HN    LYS+  38  19.83 +/- 1.53   0.430% *  0.4919% (0.95   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    LYS+  38  22.63 +/- 2.11   0.319% *  0.4919% (0.95   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    LYS+  38  16.75 +/- 1.22   0.748% *  0.0802% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  30.87 +/- 2.91   0.114% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.93, residual support = 29.0:
          HB2   LYS+  38 - HN    THR   39   4.31 +/- 0.14  81.018% * 99.2035% (1.00   5.93  28.99) =  99.974%  kept
          HG3   GLU-  29 - HN    THR   39  14.60 +/- 1.76   2.524% *  0.2428% (0.73   0.02   0.02) =   0.008%
          HB3   GLU-  29 - HN    THR   39  12.61 +/- 1.81   4.004% *  0.1141% (0.34   0.02   0.02) =   0.006%
          HB    VAL   70 - HN    THR   39  10.43 +/- 1.49   6.665% *  0.0662% (0.20   0.02   0.02) =   0.005%
          QG    GLN   17 - HN    THR   39  14.40 +/- 4.11   4.347% *  0.0834% (0.25   0.02   0.02) =   0.005%
          HB2   GLU-  25 - HN    THR   39  18.23 +/- 1.39   1.144% *  0.1141% (0.34   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    THR   39  28.36 +/- 1.69   0.298% *  0.1760% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.78, residual support = 29.2:
      O   HB3   SER   37 - HN    SER   37   2.58 +/- 0.34  84.680% * 93.7057% (0.99  10.0   3.80  29.37) =  99.272%  kept
          HB    THR   39 - HN    SER   37   5.74 +/- 0.65   9.786% *  5.9247% (0.99   1.0   1.26   4.44) =   0.725%  kept
          QB    SER   13 - HN    SER   37  15.07 +/- 3.56   1.171% *  0.0927% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    SER   37   8.70 +/- 1.49   3.919% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    SER   37  24.28 +/- 5.41   0.145% *  0.0723% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.35 +/- 3.38   0.151% *  0.0687% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  26.25 +/- 1.74   0.092% *  0.0937% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  32.27 +/- 2.99   0.055% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 18.9:
          QB    GLU-  36 - HN    SER   37   3.38 +/- 0.32  88.373% * 98.3023% (1.00   3.71  18.90) =  99.968%  kept
          HB3   GLU-  29 - HN    SER   37  11.35 +/- 1.82   3.261% *  0.4592% (0.87   0.02   0.02) =   0.017%
          HG3   GLU- 100 - HN    SER   37  10.04 +/- 2.88   6.021% *  0.0927% (0.18   0.02   0.02) =   0.006%
          HG3   GLU-  29 - HN    SER   37  13.48 +/- 1.66   1.877% *  0.2577% (0.49   0.02   0.02) =   0.006%
          HB3   GLU-  79 - HN    SER   37  23.22 +/- 2.79   0.327% *  0.5246% (0.99   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    SER   37  30.18 +/- 2.07   0.140% *  0.3636% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.88, residual support = 20.9:
          HG2   LYS+  38 - HN    SER   37   4.91 +/- 0.24  80.842% * 97.5152% (0.38   4.89  20.87) =  99.908%  kept
          HG2   LYS+  99 - HN    SER   37  10.19 +/- 2.41  14.519% *  0.2957% (0.28   0.02   0.02) =   0.054%
          QG2   THR   77 - HN    SER   37  19.97 +/- 1.52   1.265% *  1.0541% (0.99   0.02   0.02) =   0.017%
          QG2   THR   23 - HN    SER   37  16.23 +/- 1.53   2.470% *  0.3628% (0.34   0.02   0.02) =   0.011%
          QB    ALA   88 - HN    SER   37  22.85 +/- 2.08   0.904% *  0.7722% (0.73   0.02   0.02) =   0.009%
    Distance limit 4.61 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.03, residual support = 51.6:
          HB2   ASN   35 - HN    GLU-  36   3.71 +/- 0.33  66.231% * 97.9476% (0.65   6.05  51.72) =  99.773%  kept
          QE    LYS+  33 - HN    GLU-  36   5.53 +/- 1.22  30.672% *  0.4344% (0.87   0.02   0.02) =   0.205%  kept
          HB2   ASN   28 - HN    GLU-  36  12.35 +/- 1.01   1.933% *  0.4737% (0.95   0.02   0.02) =   0.014%
          QE    LYS+  65 - HN    GLU-  36  20.19 +/- 2.74   0.533% *  0.4997% (1.00   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HN    GLU-  36  22.68 +/- 5.06   0.442% *  0.4737% (0.95   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HN    GLU-  36  26.67 +/- 2.15   0.189% *  0.1708% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.82, residual support = 86.3:
          HG2   GLU-  36 - HN    GLU-  36   3.46 +/- 0.49  98.555% * 99.4310% (0.97   4.82  86.29) =  99.996%  kept
          HG3   MET   96 - HN    GLU-  36  18.55 +/- 1.96   0.757% *  0.3425% (0.80   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    GLU-  36  22.85 +/- 2.40   0.455% *  0.1605% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  28.92 +/- 3.91   0.234% *  0.0660% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.3:
      O   QB    GLU-  36 - HN    GLU-  36   2.19 +/- 0.17  96.129% * 99.6951% (0.90  10.0   7.31  86.29) =  99.998%  kept
          HB3   GLU-  29 - HN    GLU-  36  10.11 +/- 1.47   1.180% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    GLU-  36  10.76 +/- 3.44   1.721% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  36  12.17 +/- 1.43   0.660% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  23.54 +/- 3.26   0.093% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.06 +/- 0.96   0.176% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  30.46 +/- 2.80   0.041% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.82, residual support = 86.3:
          HG3   GLU-  36 - HN    GLU-  36   3.57 +/- 0.68  85.407% * 97.3043% (0.65   4.82  86.29) =  99.952%  kept
          QG    GLU-  15 - HN    GLU-  36  13.32 +/- 5.13   5.667% *  0.2799% (0.45   0.02   0.02) =   0.019%
          QB    MET   11 - HN    GLU-  36  17.61 +/- 4.53   1.765% *  0.5600% (0.90   0.02   0.02) =   0.012%
          QG    GLU-  14 - HN    GLU-  36  14.39 +/- 3.81   2.585% *  0.1927% (0.31   0.02   0.02) =   0.006%
          HB3   PHE   72 - HN    GLU-  36  14.12 +/- 2.43   2.458% *  0.1557% (0.25   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HN    GLU-  36  19.77 +/- 1.27   0.657% *  0.2130% (0.34   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    GLU-  36  23.24 +/- 3.46   0.419% *  0.3039% (0.49   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    GLU-  36  29.04 +/- 3.29   0.298% *  0.4039% (0.65   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    GLU-  36  25.87 +/- 2.40   0.296% *  0.3535% (0.57   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  26.46 +/- 2.37   0.284% *  0.1236% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.66 +/- 3.26   0.164% *  0.1094% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.451, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  15.93 +/- 2.17  36.680% * 42.5614% (0.57   0.02   0.02) =  58.037%  kept
          HA2   GLY  101 - HD22  ASN   35  12.70 +/- 4.20  56.574% * 14.8773% (0.20   0.02   0.02) =  31.290%  kept
          HD2   PRO   93 - HD22  ASN   35  29.95 +/- 3.79   6.746% * 42.5614% (0.57   0.02   0.02) =  10.673%  kept
    Distance limit 4.91 A violated in 19 structures by 6.30 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 3.57, residual support = 54.6:
      O   HB2   ASN   35 - HD22  ASN   35   3.82 +/- 0.22  83.234% * 98.5282% (0.76  10.0   3.57  54.70) =  99.892%  kept
          QE    LYS+  33 - HD22  ASN   35   9.26 +/- 1.33   7.247% *  1.0756% (0.76   1.0   0.22   4.82) =   0.095%
          HB2   ASN   28 - HD22  ASN   35  12.97 +/- 2.50   7.507% *  0.1118% (0.87   1.0   0.02   0.02) =   0.010%
          HB2   ASP-  86 - HD22  ASN   35  23.34 +/- 6.13   0.966% *  0.1278% (0.99   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD22  ASN   35  22.26 +/- 3.78   0.744% *  0.1244% (0.96   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  28.12 +/- 3.93   0.301% *  0.0321% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.732, support = 1.63, residual support = 4.06:
          HA    GLN   32 - HD21  ASN   35   4.32 +/- 1.01  57.532% * 40.6982% (0.76   1.37   3.57) =  60.059%  kept
          HA    LYS+  33 - HD21  ASN   35   5.89 +/- 0.49  28.256% * 54.8497% (0.69   2.05   4.82) =  39.753%  kept
          HA    GLU-  29 - HD21  ASN   35   9.19 +/- 0.93   6.106% *  0.6514% (0.83   0.02   0.02) =   0.102%  kept
          HA    VAL   70 - HD21  ASN   35  14.86 +/- 3.46   5.217% *  0.2927% (0.38   0.02   0.02) =   0.039%
          HA    VAL   18 - HD21  ASN   35  17.66 +/- 3.79   1.281% *  0.6765% (0.87   0.02   0.02) =   0.022%
          HB2   SER   82 - HD21  ASN   35  24.12 +/- 7.46   0.663% *  0.7200% (0.92   0.02   0.02) =   0.012%
          HA    ALA   88 - HD21  ASN   35  27.39 +/- 4.77   0.318% *  0.6245% (0.80   0.02   0.02) =   0.005%
          HA    SER   48 - HD21  ASN   35  30.52 +/- 3.21   0.207% *  0.7527% (0.96   0.02   0.02) =   0.004%
          HD2   PRO   52 - HD21  ASN   35  32.76 +/- 3.22   0.176% *  0.4416% (0.57   0.02   0.02) =   0.002%
          HA    GLN  116 - HD21  ASN   35  28.04 +/- 4.19   0.243% *  0.2927% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.608, support = 3.56, residual support = 54.4:
      O   HB2   ASN   35 - HD21  ASN   35   2.90 +/- 0.43  90.506% * 90.9071% (0.61  10.0   3.57  54.70) =  99.371%  kept
          QE    LYS+  33 - HD21  ASN   35   8.10 +/- 1.35   5.997% *  8.6037% (0.90   1.0   1.28   4.82) =   0.623%  kept
          HB2   ASN   28 - HD21  ASN   35  11.85 +/- 1.92   2.364% *  0.1446% (0.96   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HD21  ASN   35  22.77 +/- 6.03   0.546% *  0.1384% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD21  ASN   35  21.76 +/- 3.33   0.403% *  0.1499% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   35  27.42 +/- 3.55   0.184% *  0.0563% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.655, support = 4.45, residual support = 43.8:
      O   HA    GLN   32 - HN    GLN   32   2.74 +/- 0.06  59.572% * 75.8422% (0.65  10.0   4.46  45.32) =  95.277%  kept
          HA    LYS+  33 - HN    GLN   32   5.26 +/- 0.16   8.541% * 22.5061% (0.80   1.0   4.79  15.57) =   4.054%  kept
          HA    GLU-  29 - HN    GLN   32   3.55 +/- 0.29  29.353% *  1.0735% (0.92   1.0   0.20   0.02) =   0.664%  kept
          HA    VAL   18 - HN    GLN   32  13.56 +/- 2.85   0.708% *  0.1109% (0.95   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   32  19.87 +/- 8.89   0.564% *  0.1149% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  13.34 +/- 2.73   0.849% *  0.0571% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    GLN   32  23.54 +/- 5.37   0.142% *  0.0805% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  26.02 +/- 3.98   0.089% *  0.1051% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  24.94 +/- 4.26   0.117% *  0.0571% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.39 +/- 3.30   0.064% *  0.0526% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.21, residual support = 156.4:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.02  68.847% * 99.4322% (0.87  10.0   6.21 156.43) =  99.964%  kept
          HA    GLU-  29 - HN    LYS+  33   4.64 +/- 1.07  23.055% *  0.0832% (0.73   1.0   0.02   0.02) =   0.028%
          HB2   SER   37 - HN    LYS+  33   7.99 +/- 1.47   4.249% *  0.0558% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    LYS+  33  12.65 +/- 2.48   1.280% *  0.1146% (1.00   1.0   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    LYS+  33  13.52 +/- 3.19   0.916% *  0.0787% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    LYS+  33  21.26 +/- 8.08   0.392% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  14.98 +/- 4.68   1.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  25.22 +/- 4.20   0.159% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  26.81 +/- 3.73   0.101% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.337, support = 4.01, residual support = 24.8:
      O   HA    ASN   28 - HN    GLU-  29   3.63 +/- 0.03  33.404% * 74.5637% (0.18  10.0   5.04  32.93) =  74.865%  kept
          HA    THR   26 - HN    GLU-  29   3.29 +/- 0.18  44.733% * 15.4026% (0.95   1.0   0.76   0.75) =  20.710%  kept
          HA    GLU-  25 - HN    GLU-  29   4.72 +/- 0.42  16.499% *  8.8679% (0.22   1.0   1.87   0.02) =   4.398%  kept
          HA    ILE   19 - HN    GLU-  29  10.80 +/- 2.60   2.808% *  0.1750% (0.41   1.0   0.02   0.02) =   0.015%
          HA    ALA   34 - HN    GLU-  29  10.49 +/- 0.73   1.461% *  0.1314% (0.31   1.0   0.02   0.02) =   0.006%
          HA1   GLY  101 - HN    GLU-  29  16.48 +/- 4.18   0.670% *  0.2072% (0.49   1.0   0.02   0.02) =   0.004%
          HA    GLU- 114 - HN    GLU-  29  27.40 +/- 4.68   0.124% *  0.2754% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  29  25.36 +/- 2.94   0.114% *  0.2925% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  24.02 +/- 4.10   0.188% *  0.0843% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.5, residual support = 105.7:
      O   HB2   ASN   28 - HD22  ASN   28   3.27 +/- 0.12  88.881% * 99.6000% (0.95  10.0   4.50 105.75) =  99.989%  kept
          HB2   ASP-  86 - HD22  ASN   28  15.22 +/- 7.84   3.818% *  0.0996% (0.95   1.0   0.02   0.02) =   0.004%
          QE    LYS+  33 - HD22  ASN   28  10.52 +/- 0.87   2.957% *  0.0913% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD22  ASN   28  12.09 +/- 1.41   2.182% *  0.0681% (0.65   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD22  ASN   28  17.66 +/- 3.75   1.118% *  0.1051% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  17.95 +/- 4.76   1.044% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.08, residual support = 159.4:
      O   HG2   GLN   30 - HE21  GLN   30   3.89 +/- 0.20  79.782% * 96.2608% (0.61  10.0   4.09 159.82) =  99.735%  kept
          HB3   ASN   28 - HE21  GLN   30   9.88 +/- 0.89   5.386% *  3.7114% (0.84   1.0   0.56  17.73) =   0.260%  kept
          QE    LYS+ 121 - HE21  GLN   30  18.12 +/- 6.11  14.832% *  0.0278% (0.18   1.0   0.02   0.02) =   0.005%
    Distance limit 4.02 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.18, residual support = 159.5:
      O   HG2   GLN   30 - HE22  GLN   30   3.15 +/- 0.43  79.169% * 96.2608% (0.61  10.0   4.19 159.82) =  99.797%  kept
          HB3   ASN   28 - HE22  GLN   30   8.84 +/- 1.00   4.055% *  3.7114% (0.84   1.0   0.56  17.73) =   0.197%  kept
          QE    LYS+ 121 - HE22  GLN   30  18.07 +/- 6.35  16.776% *  0.0278% (0.18   1.0   0.02   0.02) =   0.006%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.12, residual support = 105.7:
      O   HB3   ASN   28 - HD22  ASN   28   3.25 +/- 0.15  82.549% * 99.7665% (0.90  10.0   4.12 105.75) =  99.981%  kept
          HG2   GLN   30 - HD22  ASN   28   7.34 +/- 0.58   7.764% *  0.1110% (1.00   1.0   0.02  17.73) =   0.010%
          QE    LYS+ 121 - HD22  ASN   28  21.01 +/- 7.10   8.153% *  0.0808% (0.73   1.0   0.02   0.02) =   0.008%
          HB3   HIS  122 - HD22  ASN   28  22.42 +/- 7.41   1.534% *  0.0418% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.964, support = 1.83, residual support = 15.7:
          QG2   VAL   24 - HD22  ASN   28   3.33 +/- 0.54  91.065% * 98.1275% (0.97   1.84  15.74) =  99.912%  kept
          HG    LEU   63 - HD22  ASN   28  16.35 +/- 4.99   7.578% *  0.9605% (0.87   0.02   0.10) =   0.081%
          QG1   VAL  107 - HD22  ASN   28  17.60 +/- 1.93   0.911% *  0.4156% (0.38   0.02   0.02) =   0.004%
          HG3   LYS+ 112 - HD22  ASN   28  24.36 +/- 3.54   0.447% *  0.4964% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 6.1, residual support = 92.3:
      O   HA    GLU-  29 - HN    GLU-  29   2.76 +/- 0.05  87.787% * 99.3483% (0.84  10.0   6.10  92.35) =  99.991%  kept
          HA    LYS+  33 - HN    GLU-  29   8.92 +/- 0.89   2.808% *  0.1125% (0.95   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    GLU-  29  12.74 +/- 2.21   1.285% *  0.0952% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLU-  29  18.84 +/- 9.99   1.224% *  0.0864% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  15.23 +/- 2.70   0.747% *  0.1166% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.46 +/- 0.38   4.538% *  0.0184% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  13.37 +/- 1.80   0.941% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  25.17 +/- 5.38   0.246% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  24.61 +/- 4.81   0.213% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  23.24 +/- 5.71   0.210% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 6.22, residual support = 32.9:
          HB2   ASN   28 - HN    GLU-  29   2.46 +/- 0.34  94.018% * 98.7488% (0.97   6.22  32.93) =  99.983%  kept
          QE    LYS+  33 - HN    GLU-  29   8.14 +/- 1.09   3.461% *  0.2952% (0.90   0.02   0.02) =   0.011%
          HB2   ASN   35 - HN    GLU-  29  11.26 +/- 0.89   1.378% *  0.1996% (0.61   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    GLU-  29  18.56 +/- 3.38   0.531% *  0.3291% (1.00   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    GLU-  29  18.82 +/- 7.36   0.405% *  0.3038% (0.92   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  20.94 +/- 4.85   0.207% *  0.1235% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.706, support = 5.52, residual support = 31.2:
          HB3   ASN   28 - HN    GLU-  29   3.46 +/- 0.21  72.307% * 47.0229% (0.65   5.78  32.93) =  72.994%  kept
          HG2   GLN   30 - HN    GLU-  29   5.33 +/- 0.76  23.912% * 52.5768% (0.87   4.82  26.45) =  26.990%  kept
          QE    LYS+ 121 - HN    GLU-  29  22.25 +/- 6.96   1.724% *  0.2378% (0.95   0.02   0.02) =   0.009%
          HB3   HIS  122 - HN    GLU-  29  23.57 +/- 7.65   2.056% *  0.1626% (0.65   0.02   0.02) =   0.007%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.38, residual support = 92.3:
          HG2   GLU-  29 - HN    GLU-  29   3.08 +/- 0.48  87.671% * 97.1769% (0.57   5.38  92.35) =  99.898%  kept
          QG    GLN   32 - HN    GLU-  29   6.80 +/- 0.81  10.263% *  0.7640% (0.28   0.09   0.02) =   0.092%
          HB3   PHE   45 - HN    GLU-  29  19.90 +/- 3.30   0.483% *  0.6321% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    GLU-  29  18.97 +/- 7.57   1.019% *  0.2622% (0.41   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    GLU-  29  23.41 +/- 3.61   0.273% *  0.6321% (0.99   0.02   0.02) =   0.002%
          HB    VAL  107 - HN    GLU-  29  21.80 +/- 2.15   0.292% *  0.5327% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.578, support = 5.41, residual support = 14.4:
          HA    ASN   28 - HN    GLN   30   3.92 +/- 0.14  36.511% * 66.5757% (0.45   6.80  17.73) =  73.958%  kept
          HA    THR   26 - HN    GLN   30   4.42 +/- 0.52  27.087% * 30.9228% (0.97   1.47   4.85) =  25.485%  kept
          HA1   GLY  101 - HN    LYS+  99   5.15 +/- 0.50  17.712% *  0.8984% (0.05   0.75   1.39) =   0.484%  kept
          HA    ALA   34 - HN    GLN   30   8.26 +/- 0.83   4.240% *  0.2824% (0.65   0.02   1.71) =   0.036%
          HA1   GLY  101 - HN    GLN   30  14.84 +/- 4.10   1.371% *  0.3646% (0.84   0.02   0.02) =   0.015%
          HA    ILE   19 - HN    GLN   30   9.85 +/- 2.27   5.918% *  0.0674% (0.15   0.02   4.00) =   0.012%
          HA    GLU- 114 - HN    GLN   30  25.78 +/- 4.26   0.220% *  0.4130% (0.95   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    GLN   30  22.33 +/- 3.69   0.359% *  0.2125% (0.49   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LYS+  99  10.61 +/- 2.22   2.649% *  0.0186% (0.04   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLN   30  23.97 +/- 2.79   0.184% *  0.1489% (0.34   0.02   0.02) =   0.001%
          HA    THR   26 - HN    LYS+  99  18.32 +/- 3.78   0.697% *  0.0277% (0.06   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  14.26 +/- 3.34   1.310% *  0.0129% (0.03   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+  99  20.01 +/- 2.55   0.336% *  0.0271% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  17.03 +/- 2.62   0.584% *  0.0140% (0.03   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.31 +/- 3.15   0.302% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.15 +/- 3.44   0.518% *  0.0044% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 6.39, residual support = 26.4:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.03  63.319% * 98.3450% (1.00  10.0   6.40  26.45) =  99.826%  kept
          HA    GLN   32 - HN    GLN   30   6.68 +/- 0.20   9.247% *  1.0263% (0.38   1.0   0.55   1.75) =   0.152%  kept
          HA    LYS+  33 - HN    GLN   30   7.51 +/- 0.62   6.810% *  0.0966% (0.98   1.0   0.02   0.30) =   0.011%
          HA    VAL   18 - HN    GLN   30  11.53 +/- 2.35   2.548% *  0.0977% (0.99   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    GLN   30  18.90 +/- 9.18   1.505% *  0.0951% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    GLN   30  13.02 +/- 2.41   1.729% *  0.0753% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    GLN   30  11.36 +/- 1.90   2.500% *  0.0152% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLN   30  23.47 +/- 4.81   0.431% *  0.0753% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   30  23.76 +/- 4.52   0.303% *  0.0638% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  22.69 +/- 5.19   0.330% *  0.0405% (0.41   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  11.52 +/- 1.48   2.122% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.11 +/- 2.67   1.402% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.19 +/- 3.41   0.950% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  17.54 +/- 4.63   0.797% *  0.0064% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  13.24 +/- 3.21   1.987% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  26.16 +/- 3.51   0.194% *  0.0219% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  20.10 +/- 4.64   0.562% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.20 +/- 3.31   0.479% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.14 +/- 1.76   1.807% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  19.93 +/- 2.27   0.389% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  24.10 +/- 2.58   0.236% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.15 +/- 3.78   0.351% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (3.84, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.41, residual support = 159.8:
      O   HA    GLN   30 - HN    GLN   30   2.82 +/- 0.02  85.972% * 99.5516% (0.92  10.0   6.41 159.82) =  99.995%  kept
          QB    SER   13 - HN    GLN   30  14.07 +/- 3.81   2.558% *  0.0525% (0.49   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    GLN   30  11.62 +/- 2.31   1.997% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  18.93 +/- 8.96   1.017% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  10.84 +/- 1.63   1.865% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    GLN   30  27.36 +/- 3.74   0.120% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  23.83 +/- 2.95   0.186% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  13.83 +/- 3.47   1.321% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  21.80 +/- 3.92   0.236% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  11.00 +/- 1.25   1.626% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.70 +/- 2.30   1.270% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  20.04 +/- 4.66   0.713% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  20.43 +/- 4.47   0.343% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.39 +/- 3.93   0.218% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  22.80 +/- 2.74   0.237% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  18.98 +/- 2.38   0.321% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.983, support = 6.99, residual support = 139.2:
          HG2   GLN   30 - HN    GLN   30   3.26 +/- 0.55  70.102% * 63.6475% (1.00   7.39 159.82) =  85.460%  kept
          HB3   ASN   28 - HN    GLN   30   5.14 +/- 0.17  21.006% * 36.1284% (0.90   4.67  17.73) =  14.536%  kept
          QE    LYS+ 121 - HN    GLN   30  20.50 +/- 6.60   1.135% *  0.1254% (0.73   0.02   0.02) =   0.003%
          HB3   HIS  122 - HN    GLN   30  21.66 +/- 7.15   0.719% *  0.0648% (0.38   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    LYS+  99  14.14 +/- 6.49   2.463% *  0.0082% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  14.55 +/- 3.83   1.667% *  0.0113% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.29 +/- 3.44   1.014% *  0.0102% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  17.28 +/- 6.45   1.894% *  0.0043% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.96, residual support = 159.8:
      O   HB3   GLN   30 - HN    GLN   30   2.79 +/- 0.57  62.889% * 98.7410% (0.69  10.0   6.96 159.82) =  99.971%  kept
          QB    LYS+  33 - HN    GLN   30   5.58 +/- 0.95  11.085% *  0.1044% (0.73   1.0   0.02   0.30) =   0.019%
          HB3   LYS+  38 - HN    GLN   30  13.93 +/- 1.58   1.038% *  0.1247% (0.87   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    GLN   30  17.01 +/- 4.06   1.306% *  0.0700% (0.49   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   30  19.03 +/- 6.49   0.448% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   30  18.40 +/- 3.59   0.564% *  0.0872% (0.61   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  17.92 +/- 2.19   0.325% *  0.1289% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.36 +/- 0.51   6.747% *  0.0050% (0.03   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    GLN   30  23.21 +/- 3.16   0.233% *  0.1387% (0.97   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   30  17.73 +/- 3.46   0.390% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  24.02 +/- 3.95   0.346% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.50 +/- 0.65   3.376% *  0.0057% (0.04   1.0   0.02   0.34) =   0.000%
          HB3   PRO   58 - HN    GLN   30  22.80 +/- 3.94   0.378% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  24.43 +/- 4.83   0.160% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  12.71 +/- 3.54   2.603% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.91 +/- 4.45   0.200% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.77 +/- 0.59   1.832% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.67 +/- 2.83   1.837% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  11.71 +/- 2.27   1.386% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  15.77 +/- 3.65   1.473% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.63 +/- 2.82   0.230% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  20.76 +/- 2.74   0.215% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.21 +/- 2.35   0.353% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  23.11 +/- 2.12   0.146% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  21.25 +/- 3.72   0.281% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  25.48 +/- 3.59   0.158% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.805, support = 5.66, residual support = 51.0:
          HG    LEU   31 - HN    GLN   30   4.34 +/- 0.71  34.701% * 90.4395% (0.80   5.87  52.86) =  96.107%  kept
          QD2   LEU   73 - HN    GLN   30   8.60 +/- 3.94  14.215% *  8.7730% (0.92   0.49   4.06) =   3.819%  kept
          QG1   VAL   41 - HN    GLN   30   8.49 +/- 2.39  10.182% *  0.0960% (0.25   0.02   0.02) =   0.030%
          HG3   LYS+ 121 - HN    GLN   30  22.53 +/- 7.63   3.655% *  0.2179% (0.57   0.02   0.02) =   0.024%
          QD1   ILE   56 - HN    GLN   30  19.01 +/- 2.77   0.684% *  0.3841% (1.00   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    LYS+  99   5.36 +/- 1.46  25.849% *  0.0063% (0.02   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    LYS+  99  11.69 +/- 3.35   5.015% *  0.0203% (0.05   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+  99  11.47 +/- 2.37   2.609% *  0.0233% (0.06   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LYS+  99  15.46 +/- 7.02   2.384% *  0.0143% (0.04   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  99  16.79 +/- 1.81   0.706% *  0.0252% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.724, support = 1.99, residual support = 4.84:
          QG2   THR   26 - HN    GLN   30   4.26 +/- 0.45  53.837% * 94.2903% (0.73   2.00   4.85) =  99.706%  kept
          HB3   LEU   40 - HN    GLN   30  12.94 +/- 2.56   4.778% *  0.9429% (0.73   0.02   0.02) =   0.088%
          HD2   LYS+ 121 - HN    GLN   30  22.61 +/- 6.71   3.879% *  0.7352% (0.57   0.02   0.02) =   0.056%
          HB2   LYS+  74 - HN    GLN   30  13.86 +/- 3.19   1.998% *  1.2283% (0.95   0.02   0.02) =   0.048%
          QB    ALA  120 - HN    GLN   30  21.05 +/- 5.81   2.900% *  0.6320% (0.49   0.02   0.02) =   0.036%
          HB3   LEU   40 - HN    LYS+  99   7.38 +/- 1.44  16.641% *  0.0619% (0.05   0.02  10.79) =   0.020%
          HG2   LYS+  65 - HN    GLN   30  18.18 +/- 3.20   1.045% *  0.8400% (0.65   0.02   0.02) =   0.017%
          HG    LEU  115 - HN    GLN   30  22.35 +/- 3.71   0.676% *  0.6320% (0.49   0.02   0.02) =   0.008%
          QD    LYS+  66 - HN    GLN   30  17.89 +/- 2.82   1.121% *  0.2891% (0.22   0.02   0.02) =   0.006%
          QG2   THR   26 - HN    LYS+  99  14.89 +/- 3.64   3.881% *  0.0619% (0.05   0.02   0.02) =   0.005%
          HB2   LYS+  74 - HN    LYS+  99  17.53 +/- 2.54   1.783% *  0.0807% (0.06   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - HN    LYS+  99  15.81 +/- 6.51   2.786% *  0.0483% (0.04   0.02   0.02) =   0.003%
          QB    ALA  120 - HN    LYS+  99  16.45 +/- 3.86   1.420% *  0.0415% (0.03   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+  99  19.26 +/- 2.35   0.704% *  0.0552% (0.04   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  99  18.28 +/- 2.91   0.876% *  0.0415% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+  99  16.96 +/- 3.83   1.674% *  0.0190% (0.01   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.394, support = 6.42, residual support = 159.8:
      O   HB2   GLN   30 - HN    GLN   30   2.77 +/- 0.66  54.789% * 86.6361% (0.41  10.0   6.40 159.82) =  92.714%  kept
          HG3   GLN   30 - HN    GLN   30   3.83 +/- 0.68  30.509% * 12.2150% (0.18   1.0   6.62 159.82) =   7.279%  kept
          HB2   GLU-  14 - HN    GLN   30  13.67 +/- 4.21   0.839% *  0.1109% (0.53   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    GLN   30  15.20 +/- 4.21   1.045% *  0.0719% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    GLN   30  21.27 +/- 2.53   0.169% *  0.2034% (0.97   1.0   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLN   30  19.10 +/- 3.94   0.243% *  0.1193% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LYS+  99   6.05 +/- 0.52   5.930% *  0.0047% (0.02   1.0   0.02  39.72) =   0.001%
          HB    ILE  119 - HN    GLN   30  23.10 +/- 5.60   0.216% *  0.0866% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  23.07 +/- 2.38   0.112% *  0.1363% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  12.83 +/- 3.75   2.294% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  23.62 +/- 3.66   0.106% *  0.0945% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.74 +/- 4.31   0.064% *  0.1530% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  27.13 +/- 3.83   0.074% *  0.0945% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  26.49 +/- 6.37   0.551% *  0.0078% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.78 +/- 0.46   0.339% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.11 +/- 4.78   0.403% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  13.96 +/- 3.81   1.144% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.15 +/- 1.90   0.206% *  0.0134% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.55 +/- 4.69   0.350% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  18.83 +/- 4.07   0.290% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  21.35 +/- 3.25   0.212% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  25.98 +/- 3.03   0.112% *  0.0101% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.93, support = 5.61, residual support = 26.4:
          HB3   GLU-  29 - HN    GLN   30   3.86 +/- 0.25  57.439% * 43.1211% (0.90   5.20  26.45) =  59.846%  kept
          HG3   GLU-  29 - HN    GLN   30   4.94 +/- 0.34  29.494% * 56.3185% (0.98   6.22  26.45) =  40.135%  kept
          QB    GLU-  36 - HN    GLN   30   9.92 +/- 1.10   3.787% *  0.1121% (0.61   0.02   0.02) =   0.010%
          HB2   LYS+  38 - HN    GLN   30  13.74 +/- 1.14   1.455% *  0.1121% (0.61   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    GLN   30  17.57 +/- 6.25   1.257% *  0.0972% (0.53   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    GLN   30  24.85 +/- 4.75   0.293% *  0.1831% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  12.67 +/- 1.88   2.023% *  0.0074% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.44 +/- 2.10   1.672% *  0.0074% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.42 +/- 3.54   0.942% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  18.72 +/- 3.64   0.738% *  0.0119% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  20.95 +/- 3.57   0.630% *  0.0064% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  23.65 +/- 2.17   0.270% *  0.0120% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.43, residual support = 92.3:
      O   HB2   GLU-  29 - HN    GLU-  29   2.40 +/- 0.29  97.177% * 99.4303% (0.76  10.0   5.43  92.35) =  99.997%  kept
          HG2   GLU- 100 - HN    GLU-  29  16.62 +/- 4.09   0.711% *  0.1042% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLU-  29  17.58 +/- 5.74   0.650% *  0.1129% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  29  21.09 +/- 3.77   0.239% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  23.26 +/- 5.40   0.519% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.23 +/- 4.24   0.218% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  17.04 +/- 2.42   0.300% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  21.91 +/- 4.94   0.187% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.777, support = 5.54, residual support = 92.2:
      O   HB3   GLU-  29 - HN    GLU-  29   3.39 +/- 0.40  36.684% * 66.8243% (0.65  10.0   4.95  92.35) =  58.564%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.03 +/- 0.47  54.218% * 31.8502% (0.97   1.0   6.39  92.35) =  41.255%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.95 +/- 0.53   6.888% *  1.0857% (0.14   1.0   1.55   0.02) =   0.179%  kept
          HB2   LYS+  38 - HN    GLU-  29  15.44 +/- 1.54   0.434% *  0.0896% (0.87   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  11.10 +/- 1.30   1.090% *  0.0352% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  17.91 +/- 6.75   0.566% *  0.0287% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  25.32 +/- 5.25   0.119% *  0.0863% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.964, support = 3.3, residual support = 159.8:
      O   HG3   GLN   30 - HE21  GLN   30   3.92 +/- 0.34  36.734% * 85.8902% (0.99  10.0   3.20 159.82) =  85.794%  kept
          HB2   GLN   30 - HE21  GLN   30   3.88 +/- 0.55  38.248% * 13.6193% (0.80   1.0   3.93 159.82) =  14.164%  kept
          HB3   PRO   68 - HE21  GLN   30  15.06 +/- 4.30  11.032% *  0.0752% (0.87   1.0   0.02   0.02) =   0.023%
          HB3   GLU- 100 - HE21  GLN   30  14.18 +/- 4.97   2.832% *  0.0752% (0.87   1.0   0.02   0.02) =   0.006%
          HB    ILE  119 - HE21  GLN   30  20.10 +/- 5.94   2.624% *  0.0694% (0.80   1.0   0.02   0.02) =   0.005%
          HB2   GLN   17 - HE21  GLN   30  12.08 +/- 3.59   2.857% *  0.0422% (0.49   1.0   0.02   0.02) =   0.003%
          QB    GLU-  15 - HE21  GLN   30  12.37 +/- 3.77   2.409% *  0.0422% (0.49   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HE21  GLN   30  11.88 +/- 1.94   2.134% *  0.0267% (0.31   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HE21  GLN   30  21.19 +/- 2.93   0.279% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  24.16 +/- 4.75   0.295% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.73 +/- 3.88   0.178% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  19.31 +/- 2.53   0.377% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (0.72, 7.18, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.49, support = 1.26, residual support = 2.72:
          QD1   ILE   19 - HE21  GLN   30   6.02 +/- 3.40  39.491% * 39.5126% (0.41   1.50   4.00) =  58.752%  kept
          QD2   LEU  104 - HE21  GLN   30  12.25 +/- 4.80  22.201% * 38.8446% (0.57   1.07   0.92) =  32.470%  kept
          QD1   LEU   98 - HE21  GLN   30  11.02 +/- 3.08   9.405% * 19.4732% (0.90   0.34   0.02) =   6.896%  kept
          QG2   ILE   19 - HE21  GLN   30   6.81 +/- 2.90  24.952% *  1.9719% (0.18   0.18   4.00) =   1.853%  kept
          QG2   THR   46 - HE21  GLN   30  14.22 +/- 2.69   3.951% *  0.1977% (0.15   0.02   0.02) =   0.029%
    Distance limit 4.68 A violated in 3 structures by 0.46 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.455, support = 1.2, residual support = 2.98:
          QD1   ILE   19 - HE22  GLN   30   5.99 +/- 3.04  39.019% * 49.2594% (0.41   1.40   4.00) =  63.402%  kept
          QD2   LEU  104 - HE22  GLN   30  11.99 +/- 4.75  22.068% * 44.6699% (0.57   0.92   0.92) =  32.517%  kept
          QG2   ILE   19 - HE22  GLN   30   6.78 +/- 2.56  25.444% *  4.2754% (0.18   0.29   4.00) =   3.588%  kept
          QD1   LEU   98 - HE22  GLN   30  10.73 +/- 2.92   8.973% *  1.5317% (0.90   0.02   0.02) =   0.453%  kept
          QG2   THR   46 - HE22  GLN   30  14.12 +/- 2.74   4.496% *  0.2635% (0.15   0.02   0.02) =   0.039%
    Distance limit 4.83 A violated in 3 structures by 0.42 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 44.3:
      O   HA    LEU   31 - HN    GLN   32   3.58 +/- 0.05  98.931% * 99.9819% (0.97  10.0   5.93  44.33) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  19.66 +/- 4.71   1.069% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.39, residual support = 45.3:
          QG    GLN   32 - HN    GLN   32   3.61 +/- 0.48  89.556% * 98.8999% (0.99   4.39  45.32) =  99.982%  kept
          HB2   GLU- 100 - HN    GLN   32  13.10 +/- 4.24   6.856% *  0.1012% (0.22   0.02   0.02) =   0.008%
          QG    GLU-  79 - HN    GLN   32  17.98 +/- 5.23   1.710% *  0.3639% (0.80   0.02   0.02) =   0.007%
          HB    VAL  107 - HN    GLN   32  20.98 +/- 1.61   0.536% *  0.3122% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  20.26 +/- 3.26   0.657% *  0.1264% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  23.75 +/- 3.15   0.368% *  0.1264% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  26.84 +/- 3.82   0.318% *  0.0701% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.41, residual support = 45.3:
      O   QB    GLN   32 - HN    GLN   32   2.13 +/- 0.08  95.335% * 99.6924% (0.90  10.0   4.41  45.32) =  99.995%  kept
          HG3   GLU- 100 - HN    GLN   32  13.08 +/- 4.24   3.285% *  0.1090% (0.98   1.0   0.02   0.02) =   0.004%
          HB    VAL   24 - HN    GLN   32  11.83 +/- 0.65   0.569% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  17.99 +/- 4.34   0.608% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  19.70 +/- 5.31   0.202% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 2.93, residual support = 5.69:
          HB3   GLN   30 - HN    GLN   32   5.19 +/- 0.26  39.299% * 73.7612% (0.99   2.51   1.75) =  71.380%  kept
          QB    LYS+  33 - HN    GLN   32   4.79 +/- 0.38  49.329% * 23.4672% (0.20   4.00  15.57) =  28.505%  kept
          HB3   LYS+  38 - HN    GLN   32  11.69 +/- 1.54   5.851% *  0.5322% (0.90   0.02   0.02) =   0.077%
          HB2   MET   92 - HN    GLN   32  25.58 +/- 4.33   0.744% *  0.5881% (0.99   0.02   0.02) =   0.011%
          HB3   PRO   58 - HN    GLN   32  24.57 +/- 3.61   0.541% *  0.5322% (0.90   0.02   0.02) =   0.007%
          QB    LYS+  81 - HN    GLN   32  20.48 +/- 6.08   1.092% *  0.1831% (0.31   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    GLN   32  18.15 +/- 2.04   0.970% *  0.2024% (0.34   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    GLN   32  25.04 +/- 2.82   0.413% *  0.4535% (0.76   0.02   0.02) =   0.005%
          HG3   MET   11 - HN    GLN   32  20.03 +/- 4.90   1.355% *  0.1321% (0.22   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    GLN   32  25.90 +/- 4.80   0.406% *  0.1480% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.3:
          HB2   LEU   31 - HN    GLN   32   2.91 +/- 0.34  87.514% * 97.3715% (0.98   5.93  44.33) =  99.965%  kept
          HG2   LYS+  99 - HN    GLN   32  12.72 +/- 3.93   3.663% *  0.2434% (0.73   0.02   0.02) =   0.010%
          HG2   LYS+  38 - HN    GLN   32  10.51 +/- 1.53   2.759% *  0.2033% (0.61   0.02   0.02) =   0.007%
          HG    LEU   98 - HN    GLN   32  13.10 +/- 3.26   1.672% *  0.2169% (0.65   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    GLN   32  23.41 +/- 7.88   1.361% *  0.2562% (0.76   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    GLN   32  18.84 +/- 7.37   0.689% *  0.3345% (1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    GLN   32  18.19 +/- 3.24   0.700% *  0.3235% (0.97   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    GLN   32  17.81 +/- 2.31   0.493% *  0.3007% (0.90   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    GLN   32  18.35 +/- 4.61   0.493% *  0.1764% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    GLN   32  23.00 +/- 2.36   0.233% *  0.1632% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.35 +/- 2.85   0.101% *  0.3171% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  20.10 +/- 4.12   0.322% *  0.0932% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.3:
          HB3   LEU   31 - HN    GLN   32   3.95 +/- 0.23  86.659% * 98.9129% (0.98   5.93  44.33) =  99.973%  kept
          QG1   VAL   24 - HN    GLN   32  10.33 +/- 0.43   4.949% *  0.1928% (0.57   0.02   0.02) =   0.011%
          QB    ALA   20 - HN    GLN   32  11.88 +/- 1.26   4.385% *  0.1792% (0.53   0.02   0.02) =   0.009%
          HG13  ILE  119 - HN    GLN   32  23.23 +/- 4.78   0.955% *  0.3287% (0.97   0.02   0.02) =   0.004%
          HG2   LYS+ 121 - HN    GLN   32  23.74 +/- 7.42   1.850% *  0.0674% (0.20   0.02   0.02) =   0.001%
          QG1   VAL  107 - HN    GLN   32  18.79 +/- 1.59   0.896% *  0.0849% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    GLN   32  27.28 +/- 2.94   0.307% *  0.2340% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.5, residual support = 15.6:
          QG    GLN   32 - HN    LYS+  33   4.18 +/- 0.47  95.694% * 98.6876% (0.84   4.50  15.57) =  99.986%  kept
          QG    GLU-  79 - HN    LYS+  33  18.72 +/- 4.83   1.960% *  0.2760% (0.53   0.02   0.02) =   0.006%
          HB    VAL  107 - HN    LYS+  33  21.48 +/- 1.42   0.802% *  0.4843% (0.92   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    LYS+  33  21.17 +/- 2.67   0.921% *  0.2760% (0.53   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    LYS+  33  24.20 +/- 3.14   0.622% *  0.2760% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 15.6:
          QB    GLN   32 - HN    LYS+  33   2.83 +/- 0.27  89.558% * 98.5923% (1.00   4.57  15.57) =  99.965%  kept
          HG3   GLU- 100 - HN    LYS+  33  12.41 +/- 4.32   4.666% *  0.3452% (0.80   0.02   0.02) =   0.018%
          HB2   PRO   68 - HN    LYS+  33  17.30 +/- 3.83   2.308% *  0.3980% (0.92   0.02   0.02) =   0.010%
          HB    VAL   24 - HN    LYS+  33  13.55 +/- 0.63   0.864% *  0.4273% (0.99   0.02   0.02) =   0.004%
          HB2   GLU-  14 - HN    LYS+  33  14.21 +/- 4.30   2.297% *  0.0665% (0.15   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    LYS+  33  25.57 +/- 3.05   0.211% *  0.0853% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.97 +/- 3.68   0.096% *  0.0853% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.964, support = 6.1, residual support = 156.2:
      O   QB    LYS+  33 - HN    LYS+  33   2.41 +/- 0.23  84.233% * 97.9156% (0.97  10.0   6.11 156.43) =  99.866%  kept
          HB3   GLN   30 - HN    LYS+  33   5.35 +/- 0.31   8.589% *  1.2347% (0.38   1.0   0.65   0.30) =   0.128%  kept
          HG3   PRO   68 - HN    LYS+  33  17.04 +/- 3.82   2.330% *  0.0812% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    LYS+  33  10.51 +/- 1.49   2.691% *  0.0574% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LYS+  33  18.68 +/- 2.57   0.294% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.62 +/- 2.79   0.270% *  0.0847% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  18.72 +/- 1.70   0.211% *  0.1012% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  21.64 +/- 5.39   0.177% *  0.1015% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  25.54 +/- 6.89   0.668% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.35 +/- 2.59   0.098% *  0.0737% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  27.16 +/- 3.90   0.068% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.55 +/- 3.81   0.073% *  0.0880% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.59 +/- 3.77   0.101% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  24.67 +/- 3.41   0.141% *  0.0137% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.47 +/- 3.18   0.056% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 4.62, residual support = 156.4:
          HG2   LYS+  33 - HN    LYS+  33   3.33 +/- 0.34  98.828% * 98.6714% (0.61   4.62 156.43) =  99.992%  kept
          QG    LYS+  81 - HN    LYS+  33  21.88 +/- 5.37   0.602% *  0.6495% (0.92   0.02   0.02) =   0.004%
          HG2   LYS+ 106 - HN    LYS+  33  19.85 +/- 2.22   0.569% *  0.6790% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.369, support = 5.69, residual support = 148.9:
          HG3   LYS+  33 - HN    LYS+  33   2.49 +/- 0.59  80.219% * 72.4515% (0.38   5.85 156.43) =  95.128%  kept
          HB2   LEU   31 - HN    LYS+  33   5.09 +/- 0.20  13.494% * 21.8648% (0.25   2.66   0.94) =   4.829%  kept
          HG    LEU   98 - HN    LYS+  33  13.41 +/- 2.69   1.285% *  0.5727% (0.87   0.02   0.02) =   0.012%
          HB3   LEU   73 - HN    LYS+  33  13.77 +/- 4.25   1.243% *  0.3473% (0.53   0.02   0.02) =   0.007%
          HB    VAL   42 - HN    LYS+  33  13.19 +/- 1.60   0.809% *  0.2960% (0.45   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HN    LYS+  33  16.94 +/- 4.23   0.575% *  0.3738% (0.57   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    LYS+  33  23.23 +/- 7.83   0.375% *  0.5045% (0.76   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    LYS+  33  19.41 +/- 3.92   0.283% *  0.6245% (0.95   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LYS+  33  19.21 +/- 2.05   0.254% *  0.5045% (0.76   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LYS+  33  18.30 +/- 1.91   0.303% *  0.4004% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    LYS+  33  19.95 +/- 6.87   0.367% *  0.2478% (0.38   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  33  23.73 +/- 2.11   0.142% *  0.6371% (0.97   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+  33  19.41 +/- 2.56   0.275% *  0.2960% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LYS+  33  18.30 +/- 2.74   0.247% *  0.3213% (0.49   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LYS+  33  28.07 +/- 2.52   0.073% *  0.4271% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  30.03 +/- 2.82   0.057% *  0.1307% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.803, residual support = 0.94:
          QD2   LEU   31 - HN    LYS+  33   5.15 +/- 0.19  92.543% * 93.0821% (0.65   0.81   0.94) =  99.699%  kept
          QG2   VAL   83 - HN    LYS+  33  16.06 +/- 4.77   5.001% *  3.5396% (0.99   0.02   0.02) =   0.205%  kept
          QD1   ILE   89 - HN    LYS+  33  18.17 +/- 2.69   2.456% *  3.3783% (0.95   0.02   0.02) =   0.096%
    Distance limit 4.68 A violated in 0 structures by 0.47 A, kept.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 4.56:
          HA    LYS+  33 - HN    ASN   35   3.52 +/- 0.13  43.839% * 73.7943% (0.98   2.88   4.82) =  81.602%  kept
          HA    GLN   32 - HN    ASN   35   3.83 +/- 0.20  34.729% * 19.9633% (0.38   2.04   3.57) =  17.488%  kept
          HB2   SER   37 - HN    ASN   35   6.24 +/- 0.88   9.513% *  3.2332% (0.15   0.80   0.02) =   0.776%  kept
          HA    VAL   70 - HN    ASN   35  11.73 +/- 2.87   6.315% *  0.3990% (0.76   0.02   0.02) =   0.064%
          HA    GLU-  29 - HN    ASN   35   7.94 +/- 0.46   3.905% *  0.5210% (1.00   0.02   0.02) =   0.051%
          HA    VAL   18 - HN    ASN   35  15.04 +/- 3.57   0.877% *  0.5175% (0.99   0.02   0.02) =   0.011%
          HB2   SER   82 - HN    ASN   35  22.42 +/- 6.85   0.335% *  0.5039% (0.97   0.02   0.02) =   0.004%
          HA    GLN  116 - HN    ASN   35  25.25 +/- 3.67   0.161% *  0.3990% (0.76   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ASN   35  27.84 +/- 3.04   0.099% *  0.3378% (0.65   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  25.50 +/- 3.74   0.144% *  0.2147% (0.41   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  29.92 +/- 3.11   0.082% *  0.1162% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1115 (4.10, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.96, residual support = 51.7:
          HA    GLU-  36 - HN    ASN   35   5.02 +/- 0.12  80.484% * 98.5270% (0.97   3.96  51.72) =  99.960%  kept
          HA    ASN   28 - HN    ASN   35   9.14 +/- 0.75  15.078% *  0.1020% (0.20   0.02   0.02) =   0.019%
          HA    ALA  124 - HN    ASN   35  26.67 +/- 8.66   2.181% *  0.4126% (0.80   0.02   0.02) =   0.011%
          HA    LYS+  81 - HN    ASN   35  24.54 +/- 4.32   0.874% *  0.5142% (1.00   0.02   0.02) =   0.006%
          HA    ARG+  54 - HN    ASN   35  28.21 +/- 2.93   0.517% *  0.3540% (0.69   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    ASN   35  24.13 +/- 2.64   0.865% *  0.0902% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.89 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.358, support = 5.58, residual support = 51.1:
      O   HB2   ASN   35 - HN    ASN   35   2.87 +/- 0.40  77.528% * 71.0973% (0.31  10.0   5.83  54.70) =  92.874%  kept
          QE    LYS+  33 - HN    ASN   35   5.60 +/- 0.98  15.034% * 28.0755% (1.00   1.0   2.44   4.82) =   7.112%  kept
          HB2   ASN   28 - HN    ASN   35  10.73 +/- 0.93   2.116% *  0.2223% (0.97   1.0   0.02   0.02) =   0.008%
          HB2   ASN   69 - HN    ASN   35  13.89 +/- 4.15   4.011% *  0.0403% (0.18   1.0   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    ASN   35  19.14 +/- 2.70   0.475% *  0.1998% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   35  20.90 +/- 5.45   0.406% *  0.1490% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   35  25.00 +/- 2.32   0.154% *  0.1582% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.12 +/- 2.95   0.276% *  0.0574% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.06 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 +/- 0.08  81.429% * 98.0187% (0.92   3.35  20.13) =  99.936%  kept
          HG3   LYS+  38 - HN    ASN   35   7.29 +/- 0.82   7.026% *  0.3589% (0.57   0.02   0.02) =   0.032%
          QG2   THR   39 - HN    ASN   35   6.60 +/- 1.06   9.968% *  0.1956% (0.31   0.02   0.02) =   0.024%
          QG2   THR   23 - HN    ASN   35  14.59 +/- 0.98   0.746% *  0.6213% (0.98   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    ASN   35  21.98 +/- 2.22   0.238% *  0.4844% (0.76   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ASN   35  18.86 +/- 2.04   0.370% *  0.1254% (0.20   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    ASN   35  22.76 +/- 2.45   0.223% *  0.1956% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.87, residual support = 105.7:
      O   HB2   ASN   28 - HD21  ASN   28   4.00 +/- 0.07  81.958% * 99.6076% (0.97  10.0   3.87 105.75) =  99.982%  kept
          HB2   ASP-  86 - HD21  ASN   28  14.84 +/- 8.03   7.336% *  0.0953% (0.92   1.0   0.02   0.02) =   0.009%
          QE    LYS+  33 - HD21  ASN   28  11.90 +/- 0.92   3.367% *  0.0926% (0.90   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD21  ASN   28  18.07 +/- 4.25   2.155% *  0.1032% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD21  ASN   28  13.39 +/- 1.61   2.812% *  0.0626% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD21  ASN   28  17.36 +/- 5.03   2.372% *  0.0387% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.49, residual support = 105.5:
      O   HB3   ASN   28 - HD21  ASN   28   3.99 +/- 0.08  74.006% * 97.5856% (0.90  10.0   3.50 105.75) =  99.756%  kept
          HG2   GLN   30 - HD21  ASN   28   8.85 +/- 0.59   7.086% *  2.2945% (1.00   1.0   0.42  17.73) =   0.225%  kept
          QE    LYS+ 121 - HD21  ASN   28  21.64 +/- 7.39  16.697% *  0.0790% (0.73   1.0   0.02   0.02) =   0.018%
          HB3   HIS  122 - HD21  ASN   28  23.18 +/- 7.58   2.210% *  0.0408% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.06, residual support = 15.7:
          QG2   VAL   24 - HD21  ASN   28   2.35 +/- 0.59  92.279% * 97.2089% (0.76   2.06  15.74) =  99.936%  kept
          HG    LEU   63 - HD21  ASN   28  17.02 +/- 5.40   4.395% *  1.1049% (0.90   0.02   0.10) =   0.054%
          HB2   LEU  104 - HD21  ASN   28  17.89 +/- 4.66   2.721% *  0.1901% (0.15   0.02   0.44) =   0.006%
          HG3   LYS+ 112 - HD21  ASN   28  24.50 +/- 3.90   0.238% *  1.1890% (0.97   0.02   0.02) =   0.003%
          QG2   VAL  108 - HD21  ASN   28  18.20 +/- 2.63   0.367% *  0.3072% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 50.6:
      O   HA    TRP   27 - HN    ASN   28   3.63 +/- 0.02  97.741% * 99.7755% (1.00  10.0   5.66  50.65) =  99.998%  kept
          HA    ALA   91 - HN    ASN   28  21.84 +/- 5.06   1.361% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ASN   28  21.85 +/- 2.40   0.520% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  26.25 +/- 4.05   0.377% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.41, residual support = 15.7:
          HA    VAL   24 - HN    ASN   28   3.87 +/- 0.35  88.927% * 99.5192% (0.92   6.41  15.74) =  99.978%  kept
          HD2   PRO   68 - HN    ASN   28  17.31 +/- 3.95   5.705% *  0.2041% (0.61   0.02   0.02) =   0.013%
          HA    ALA   61 - HN    ASN   28  17.42 +/- 3.21   2.887% *  0.1383% (0.41   0.02   0.02) =   0.005%
          HA    LYS+  38 - HN    ASN   28  14.31 +/- 1.72   2.482% *  0.1383% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 50.6:
          HB2   TRP   27 - HN    ASN   28   3.00 +/- 0.33  98.221% * 99.2742% (0.80   5.59  50.65) =  99.993%  kept
          HA    THR   77 - HN    ASN   28  16.25 +/- 5.41   1.244% *  0.3706% (0.84   0.02   0.02) =   0.005%
          HD2   PRO   93 - HN    ASN   28  22.28 +/- 3.25   0.535% *  0.3552% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.98, residual support = 105.7:
      O   HB2   ASN   28 - HN    ASN   28   2.60 +/- 0.30  94.033% * 99.6076% (0.97  10.0   6.98 105.75) =  99.995%  kept
          QE    LYS+  33 - HN    ASN   28   9.81 +/- 0.87   2.150% *  0.0926% (0.90   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   28  16.55 +/- 7.64   1.374% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASN   28  17.58 +/- 3.77   0.818% *  0.1032% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  12.52 +/- 1.13   1.140% *  0.0626% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   28  18.52 +/- 5.04   0.484% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.899, support = 6.47, residual support = 104.1:
      O   HB3   ASN   28 - HN    ASN   28   3.46 +/- 0.30  78.385% * 91.4198% (0.90  10.0   6.56 105.75) =  98.095%  kept
          HG2   GLN   30 - HN    ASN   28   6.07 +/- 0.59  16.397% *  8.4679% (1.00   1.0   1.67  17.73) =   1.901%  kept
          QE    LYS+ 121 - HN    ASN   28  21.46 +/- 6.90   4.032% *  0.0740% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   HIS  122 - HN    ASN   28  22.69 +/- 7.41   1.186% *  0.0383% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.542, support = 2.57, residual support = 18.5:
          HG3   GLU-  29 - HN    ASN   28   5.43 +/- 0.59  45.606% * 45.0913% (0.20   4.08  32.93) =  50.622%  kept
          HB2   GLU-  25 - HN    ASN   28   5.73 +/- 0.18  38.206% * 52.1779% (0.90   1.04   3.81) =  49.072%  kept
          QG    GLN   17 - HN    ASN   28  13.12 +/- 3.73   7.464% *  0.8954% (0.80   0.02   0.02) =   0.165%  kept
          HB    VAL   70 - HN    ASN   28  14.87 +/- 2.95   4.617% *  0.8120% (0.73   0.02   0.02) =   0.092%
          HB2   LYS+  38 - HN    ASN   28  16.53 +/- 1.72   1.804% *  0.6782% (0.61   0.02   0.02) =   0.030%
          HB2   MET   96 - HN    ASN   28  15.34 +/- 2.48   2.303% *  0.3451% (0.31   0.02   0.02) =   0.020%
    Distance limit 4.69 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.478, support = 4.07, residual support = 15.7:
          QG2   VAL   24 - HN    ASN   28   3.65 +/- 0.40  68.547% * 60.5579% (0.45   4.52  15.74) =  81.324%  kept
          QG1   VAL   24 - HN    ASN   28   5.19 +/- 0.31  24.776% * 38.4152% (0.61   2.12  15.74) =  18.646%  kept
          HG    LEU   63 - HN    ASN   28  16.65 +/- 4.85   5.637% *  0.1844% (0.31   0.02   0.10) =   0.020%
          QG1   VAL  107 - HN    ASN   28  18.16 +/- 2.09   0.721% *  0.5516% (0.92   0.02   0.02) =   0.008%
          HD3   LYS+ 112 - HN    ASN   28  25.02 +/- 3.67   0.319% *  0.2909% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.504, support = 2.22, residual support = 0.733:
          QD2   LEU   80 - HN    ASN   28  11.02 +/- 8.41  28.143% * 33.9867% (0.45   2.76   1.20) =  47.502%  kept
          QD1   LEU  104 - HN    ASN   28  14.21 +/- 4.58  14.518% * 33.6416% (0.69   1.79   0.44) =  24.255%  kept
          QD1   LEU   73 - HN    ASN   28   8.52 +/- 4.63  24.315% * 11.1392% (0.15   2.63   0.34) =  13.451%  kept
          QG1   VAL   83 - HN    ASN   28  11.66 +/- 7.18  13.047% * 14.8228% (1.00   0.54   0.02) =   9.604%  kept
          QD1   LEU   63 - HN    ASN   28  13.48 +/- 4.58  17.675% *  5.8739% (0.15   1.39   0.10) =   5.156%  kept
          QG2   ILE   89 - HN    ASN   28  15.43 +/- 3.71   1.478% *  0.3104% (0.57   0.02   0.02) =   0.023%
          QD2   LEU  115 - HN    ASN   28  18.81 +/- 3.69   0.825% *  0.2254% (0.41   0.02   0.02) =   0.009%
    Distance limit 4.93 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 = 3.03, residual support = 26.6:
          HA    VAL   24 - HN    TRP   27   3.07 +/- 0.19  94.758% * 99.0214% (0.99   3.03  26.60) =  99.991%  kept
          HA    LYS+  38 - HN    TRP   27  15.55 +/- 1.40   0.819% *  0.4795% (0.73   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    TRP   27  16.99 +/- 3.47   1.240% *  0.2038% (0.31   0.02   0.02) =   0.003%
          HA    ALA   61 - HN    TRP   27  16.32 +/- 3.49   1.235% *  0.1156% (0.18   0.02   0.02) =   0.002%
          HA    VAL   24 - HN    ALA   91  18.82 +/- 4.76   0.795% *  0.0809% (0.12   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    ALA   91  18.25 +/- 3.24   0.691% *  0.0143% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  27.20 +/- 1.63   0.146% *  0.0593% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  22.82 +/- 3.63   0.316% *  0.0252% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.4, residual support = 107.2:
      O   HB2   TRP   27 - HN    TRP   27   2.11 +/- 0.10  94.009% * 99.8160% (0.99  10.0   5.40 107.20) =  99.999%  kept
          HA    THR   77 - HN    TRP   27  15.79 +/- 5.63   0.606% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ALA   91   7.31 +/- 0.32   2.331% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   8.46 +/- 2.03   2.712% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  21.49 +/- 3.12   0.132% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  19.14 +/- 4.40   0.211% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 107.2:
      O   HB3   TRP   27 - HN    TRP   27   3.04 +/- 0.26  86.573% * 99.6559% (0.99  10.0   5.64 107.20) =  99.994%  kept
          HB3   PHE   60 - HN    TRP   27  17.69 +/- 4.20   3.609% *  0.0413% (0.41   1.0   0.02   0.02) =   0.002%
          HB2   PHE   97 - HN    TRP   27  17.52 +/- 3.77   1.384% *  0.0986% (0.98   1.0   0.02   0.02) =   0.002%
          QE    LYS+  99 - HN    TRP   27  15.56 +/- 3.64   1.885% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    TRP   27  18.02 +/- 2.90   0.613% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  16.07 +/- 2.51   0.951% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  19.12 +/- 4.30   0.860% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  13.57 +/- 2.57   1.332% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  18.64 +/- 4.23   0.572% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  16.84 +/- 3.35   1.034% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  18.21 +/- 1.42   0.426% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  22.25 +/- 1.80   0.252% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  20.38 +/- 2.54   0.352% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  26.18 +/- 2.42   0.156% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.7, residual support = 1.38:
          HB3   CYS   21 - HN    TRP   27   6.31 +/- 2.66  69.489% * 96.1274% (0.53   0.70   1.39) =  99.412%  kept
          HG2   MET   96 - HN    TRP   27  16.45 +/- 2.90  10.123% *  3.1466% (0.61   0.02   0.02) =   0.474%  kept
          HG2   MET   96 - HN    ALA   91  13.28 +/- 1.59  15.379% *  0.3888% (0.07   0.02   0.02) =   0.089%
          HB3   CYS   21 - HN    ALA   91  21.29 +/- 6.10   5.009% *  0.3373% (0.07   0.02   0.02) =   0.025%
    Distance limit 4.35 A violated in 10 structures by 2.26 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.46, residual support = 22.7:
          QG2   THR   26 - HN    TRP   27   3.34 +/- 0.67  77.499% * 97.5962% (0.98   4.46  22.69) =  99.950%  kept
          HB2   LYS+  74 - HN    TRP   27  12.15 +/- 3.82   3.090% *  0.3572% (0.80   0.02   0.02) =   0.015%
          HG2   LYS+  65 - HN    TRP   27  17.58 +/- 4.16   1.693% *  0.4452% (1.00   0.02   0.02) =   0.010%
          QD    LYS+  66 - HN    TRP   27  17.87 +/- 3.37   1.579% *  0.3410% (0.76   0.02   0.02) =   0.007%
          HD2   LYS+ 121 - HN    TRP   27  23.23 +/- 6.85   0.786% *  0.4452% (1.00   0.02   0.02) =   0.005%
          HG    LEU  104 - HN    TRP   27  17.82 +/- 5.27   2.473% *  0.1240% (0.28   0.02   1.83) =   0.004%
          HB3   LYS+ 121 - HN    TRP   27  22.88 +/- 7.36   1.421% *  0.1240% (0.28   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    TRP   27  14.26 +/- 3.54   1.767% *  0.0781% (0.18   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    TRP   27  15.54 +/- 2.73   1.284% *  0.0883% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    ALA   91  21.18 +/- 5.50   1.705% *  0.0550% (0.12   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    ALA   91  15.72 +/- 1.60   1.084% *  0.0441% (0.10   0.02   0.02) =   0.001%
          QG2   THR   26 - HN    ALA   91  19.64 +/- 3.60   0.580% *  0.0540% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  20.87 +/- 3.87   0.632% *  0.0421% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.28 +/- 3.90   0.279% *  0.0883% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  15.01 +/- 2.51   1.632% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  23.51 +/- 1.78   0.286% *  0.0550% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  16.09 +/- 2.41   1.179% *  0.0109% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  21.41 +/- 2.36   0.410% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  23.54 +/- 2.00   0.292% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  22.88 +/- 1.72   0.327% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (0.58, 7.73, 123.24 ppm):
    16 chemical-shift based assignments, quality = 0.859, support = 2.41, residual support = 8.48:
          QD1   LEU   73 - HN    TRP   27   7.79 +/- 4.87  22.482% * 36.0118% (1.00   2.56  13.44) =  40.110%  kept
          QD2   LEU   80 - HN    TRP   27  10.60 +/- 8.76  25.870% * 30.1807% (0.76   2.80   7.25) =  38.681%  kept
          QD1   LEU   63 - HN    TRP   27  12.89 +/- 4.40  14.837% * 15.2826% (1.00   1.09   1.02) =  11.234%  kept
          QD1   LEU  104 - HN    TRP   27  14.60 +/- 4.83  12.773% * 14.2821% (0.53   1.92   1.83) =   9.037%  kept
          QD2   LEU   63 - HN    TRP   27  13.60 +/- 4.00   4.244% *  2.6175% (0.61   0.31   1.02) =   0.550%  kept
          QG1   VAL   83 - HN    TRP   27  11.90 +/- 7.08   6.183% *  1.1876% (0.15   0.55   0.44) =   0.364%  kept
          QD2   LEU  115 - HN    TRP   27  18.01 +/- 3.92   0.668% *  0.2259% (0.80   0.02   0.02) =   0.007%
          QG2   VAL   41 - HN    TRP   27  10.60 +/- 2.84   3.160% *  0.0382% (0.14   0.02   0.11) =   0.006%
          QD2   LEU   80 - HN    ALA   91  11.39 +/- 1.73   3.102% *  0.0266% (0.09   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    ALA   91  13.48 +/- 2.43   1.273% *  0.0348% (0.12   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    ALA   91  14.10 +/- 1.85   0.898% *  0.0279% (0.10   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   91  15.62 +/- 3.01   0.710% *  0.0348% (0.12   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ALA   91  16.31 +/- 2.81   0.648% *  0.0211% (0.07   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.22 +/- 0.89   2.146% *  0.0054% (0.02   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  18.47 +/- 2.20   0.369% *  0.0183% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.44 +/- 1.74   0.637% *  0.0047% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.905, support = 0.02, residual support = 0.836:
          QG2   VAL   75 - HN    TRP   27  10.10 +/- 4.92  39.161% * 43.3149% (0.95   0.02   1.16) =  57.971%  kept
          QG2   VAL   42 - HN    TRP   27  11.85 +/- 2.35  22.349% * 45.6877% (1.00   0.02   0.47) =  34.896%  kept
          QG2   VAL   75 - HN    ALA   91  10.30 +/- 1.75  29.223% *  5.3521% (0.12   0.02   0.02) =   5.345%  kept
          QG2   VAL   42 - HN    ALA   91  14.43 +/- 1.63   9.266% *  5.6453% (0.12   0.02   0.02) =   1.788%  kept
    Distance limit 4.54 A violated in 16 structures by 2.79 A, eliminated.
    Peak unassigned.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.7, residual support = 107.0:
          HA    TRP   27 - HE1   TRP   27   6.26 +/- 0.14  81.361% * 98.3446% (1.00   2.70 107.20) =  99.851%  kept
          HA    ALA   91 - HE1   TRP   27  18.59 +/- 5.50  13.301% *  0.6904% (0.95   0.02   0.02) =   0.115%  kept
          HA    VAL  107 - HE1   TRP   27  18.94 +/- 2.60   3.442% *  0.6097% (0.84   0.02   0.02) =   0.026%
          HA    PRO   52 - HE1   TRP   27  24.27 +/- 3.72   1.896% *  0.3553% (0.49   0.02   0.02) =   0.008%
    Distance limit 4.91 A violated in 1 structures by 1.32 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.858, support = 1.24, residual support = 7.17:
          QD1   LEU   73 - HE1   TRP   27   8.29 +/- 3.77  17.309% * 28.7775% (0.87   1.45  13.44) =  32.650%  kept
          QD2   LEU   80 - HE1   TRP   27   9.75 +/- 7.57  14.664% * 33.2889% (0.99   1.47   7.25) =  31.998%  kept
          QD1   LEU  104 - HE1   TRP   27  12.80 +/- 4.32  13.898% * 21.3619% (0.87   1.07   1.83) =  19.461%  kept
          QG1   VAL   83 - HE1   TRP   27   8.75 +/- 7.67  30.518% *  5.3181% (0.41   0.56   0.44) =  10.639%  kept
          QD1   LEU   63 - HE1   TRP   27  12.24 +/- 4.56   7.294% * 10.6690% (0.87   0.54   1.02) =   5.101%  kept
          QD2   LEU   63 - HE1   TRP   27  12.55 +/- 4.87  15.629% *  0.1274% (0.28   0.02   1.02) =   0.131%  kept
          QD2   LEU  115 - HE1   TRP   27  17.03 +/- 3.37   0.687% *  0.4572% (1.00   0.02   0.02) =   0.021%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.496, support = 1.73, residual support = 18.4:
          QD2   LEU   31 - HE1   TRP   27   3.66 +/- 0.66  71.259% * 51.6625% (0.31   2.14  23.75) =  72.602%  kept
          QG2   VAL   43 - HE1   TRP   27   8.32 +/- 3.66  28.741% * 48.3375% (0.99   0.62   4.21) =  27.398%  kept
    Distance limit 3.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.75, residual support = 32.0:
          HB2   GLU-  25 - HN    THR   26   2.84 +/- 0.30  80.233% * 98.9867% (0.90   5.75  32.03) =  99.963%  kept
          QG    GLN   17 - HN    THR   26  12.77 +/- 3.55   5.249% *  0.3073% (0.80   0.02   0.02) =   0.020%
          HG3   GLU-  29 - HN    THR   26   5.58 +/- 0.73  13.089% *  0.0760% (0.20   0.02   0.75) =   0.013%
          HB    VAL   70 - HN    THR   26  16.55 +/- 2.71   0.718% *  0.2787% (0.73   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    THR   26  19.22 +/- 1.56   0.311% *  0.2328% (0.61   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    THR   26  17.72 +/- 2.23   0.400% *  0.1185% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.565, support = 5.21, residual support = 32.0:
          HB3   GLU-  25 - HN    THR   26   3.42 +/- 0.25  66.209% * 95.4666% (0.57   5.22  32.03) =  99.825%  kept
          HG3   GLN   30 - HN    THR   26   7.65 +/- 0.64   6.990% *  0.5398% (0.84   0.02   4.85) =   0.060%
          HB2   GLN   30 - HN    THR   26   7.44 +/- 1.14   7.762% *  0.3400% (0.53   0.02   4.85) =   0.042%
          HB    ILE   19 - HN    THR   26   8.89 +/- 2.03  10.928% *  0.1279% (0.20   0.02   0.02) =   0.022%
          HB2   GLN   17 - HN    THR   26  13.96 +/- 3.65   2.596% *  0.4939% (0.76   0.02   0.02) =   0.020%
          QB    GLU-  15 - HN    THR   26  14.69 +/- 2.73   1.269% *  0.4939% (0.76   0.02   0.02) =   0.010%
          HB3   PRO   68 - HN    THR   26  20.17 +/- 4.60   0.882% *  0.6448% (1.00   0.02   0.02) =   0.009%
          HB    ILE  119 - HN    THR   26  24.44 +/- 6.61   0.677% *  0.3400% (0.53   0.02   0.02) =   0.004%
          HB3   GLU- 100 - HN    THR   26  20.53 +/- 4.03   0.583% *  0.3920% (0.61   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - HN    THR   26  27.56 +/- 4.42   0.194% *  0.5398% (0.84   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    THR   26  19.92 +/- 4.59   0.999% *  0.0997% (0.15   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    THR   26  23.41 +/- 4.43   0.402% *  0.1611% (0.25   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    THR   26  25.92 +/- 5.51   0.287% *  0.1611% (0.25   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  24.53 +/- 2.76   0.222% *  0.1995% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.45, residual support = 34.6:
          QG2   THR   26 - HN    THR   26   3.46 +/- 0.32  91.768% * 98.0811% (0.95   4.45  34.59) =  99.971%  kept
          HB2   LYS+  74 - HN    THR   26  13.55 +/- 4.12   2.675% *  0.4618% (0.99   0.02   0.02) =   0.014%
          HG2   LYS+  65 - HN    THR   26  18.91 +/- 4.47   1.163% *  0.4178% (0.90   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HN    THR   26  25.17 +/- 7.00   0.738% *  0.3892% (0.84   0.02   0.02) =   0.003%
          QD    LYS+  66 - HN    THR   26  19.11 +/- 3.72   1.090% *  0.2089% (0.45   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  17.62 +/- 2.77   0.886% *  0.2089% (0.45   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    THR   26  22.52 +/- 6.75   1.206% *  0.1162% (0.25   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    THR   26  23.09 +/- 4.81   0.474% *  0.1162% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.85 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 = 0.662, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26   9.97 +/- 0.47  24.761% * 11.0578% (0.69   0.02   0.02) =  29.229%  kept
          HB3   LEU   80 - HN    THR   26  16.11 +/- 9.12  22.102% *  8.4695% (0.53   0.02   0.02) =  19.983%  kept
          HG2   LYS+  99 - HN    THR   26  19.55 +/- 4.20   7.849% * 15.5357% (0.97   0.02   0.02) =  13.017%  kept
          HB2   LEU   63 - HN    THR   26  18.12 +/- 4.63  11.689% *  6.6181% (0.41   0.02   0.02) =   8.258%  kept
          QG2   THR   77 - HN    THR   26  15.55 +/- 3.54   9.456% *  7.8357% (0.49   0.02   0.02) =   7.910%  kept
          HG2   LYS+  38 - HN    THR   26  18.65 +/- 1.67   4.168% * 16.0623% (1.00   0.02   0.02) =   7.146%  kept
          QB    ALA   88 - HN    THR   26  19.85 +/- 4.17   4.244% * 13.9639% (0.87   0.02   0.02) =   6.327%  kept
          HB3   ASP-  44 - HN    THR   26  17.28 +/- 2.58   6.539% *  4.9686% (0.31   0.02   0.02) =   3.468%  kept
          QB    ALA  124 - HN    THR   26  25.14 +/- 7.80   7.616% *  3.1858% (0.20   0.02   0.02) =   2.590%  kept
          HG2   LYS+ 111 - HN    THR   26  27.92 +/- 4.38   1.577% * 12.3026% (0.76   0.02   0.02) =   2.071%  kept
    Distance limit 4.60 A violated in 20 structures by 3.85 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.64, residual support = 33.5:
      O   HA    VAL   24 - HN    GLU-  25   3.60 +/- 0.03  95.872% * 99.8455% (0.92  10.0   5.64  33.47) =  99.998%  kept
          HD2   PRO   68 - HN    GLU-  25  19.87 +/- 4.40   1.991% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    GLU-  25  18.73 +/- 3.84   1.358% *  0.0445% (0.41   1.0   0.02   0.02) =   0.001%
          HA    LYS+  38 - HN    GLU-  25  18.77 +/- 1.87   0.779% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 6.14, residual support = 127.4:
      O   HB2   GLU-  25 - HN    GLU-  25   2.94 +/- 0.36  85.725% * 99.5608% (0.61  10.0   6.14 127.45) =  99.990%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.27 +/- 0.82   6.531% *  0.0736% (0.45   1.0   0.02   0.02) =   0.006%
          QG    GLN   17 - HN    GLU-  25  14.05 +/- 4.08   2.416% *  0.0799% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    GLU-  25   8.92 +/- 0.68   3.872% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    GLU-  25  17.80 +/- 3.14   0.705% *  0.0675% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  20.87 +/- 1.89   0.299% *  0.1472% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    GLU-  25  22.73 +/- 5.93   0.453% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.86, residual support = 127.4:
      O   HB3   GLU-  25 - HN    GLU-  25   2.30 +/- 0.49  79.847% * 98.7761% (0.57  10.0   5.87 127.45) =  99.982%  kept
          HB3   PRO   68 - HN    GLU-  25  21.47 +/- 5.30   2.109% *  0.1741% (1.00   1.0   0.02   0.02) =   0.005%
          HB    ILE   19 - HN    GLU-  25  10.54 +/- 2.94   9.151% *  0.0345% (0.20   1.0   0.02   0.02) =   0.004%
          HG3   GLN   30 - HN    GLU-  25   9.96 +/- 0.64   1.440% *  0.1457% (0.84   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    GLU-  25   9.44 +/- 1.16   2.256% *  0.0918% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    GLU-  25  15.41 +/- 4.32   0.851% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLU-  25  21.12 +/- 5.41   2.773% *  0.0269% (0.15   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    GLU-  25  16.20 +/- 3.23   0.444% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLU-  25  25.16 +/- 7.01   0.210% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  21.79 +/- 3.70   0.164% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  27.56 +/- 4.91   0.107% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.96 +/- 5.76   0.353% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  23.59 +/- 4.77   0.172% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  24.50 +/- 3.14   0.123% *  0.0538% (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 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 5.97:
          QG2   THR   23 - HN    GLU-  25   3.91 +/- 1.11  89.885% * 98.6249% (0.73   3.29   5.97) =  99.957%  kept
          QG2   THR   77 - HN    GLU-  25  15.05 +/- 3.53   3.049% *  0.5996% (0.73   0.02   0.02) =   0.021%
          QB    ALA   34 - HN    GLU-  25  12.14 +/- 0.49   4.257% *  0.3099% (0.38   0.02   0.02) =   0.015%
          QB    ALA   88 - HN    GLU-  25  19.08 +/- 4.58   1.303% *  0.2817% (0.34   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    GLU-  25  20.33 +/- 4.11   1.506% *  0.1838% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.39 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.56, residual support = 33.5:
          QG2   VAL   24 - HN    GLU-  25   3.39 +/- 0.36  94.541% * 99.2370% (0.97   4.56  33.47) =  99.979%  kept
          HG    LEU   63 - HN    GLU-  25  18.70 +/- 5.56   4.492% *  0.3914% (0.87   0.02   0.02) =   0.019%
          QG1   VAL  107 - HN    GLU-  25  19.85 +/- 2.95   0.551% *  0.1693% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    GLU-  25  25.55 +/- 4.65   0.416% *  0.2023% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.75 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 = 127.4:
          HG2   GLU-  25 - HN    GLU-  25   4.06 +/- 0.50  95.050% * 99.4315% (0.97   5.28 127.45) =  99.993%  kept
          HG2   GLN  116 - HN    GLU-  25  25.83 +/- 6.97   1.413% *  0.1605% (0.41   0.02   0.02) =   0.002%
          HB3   PHE   95 - HN    GLU-  25  20.11 +/- 2.60   1.073% *  0.1901% (0.49   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    GLU-  25  19.59 +/- 5.08   1.283% *  0.1205% (0.31   0.02   0.02) =   0.002%
          HG3   GLN  116 - HN    GLU-  25  26.57 +/- 6.95   1.182% *  0.0974% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 62.8:
      O   HA    VAL   24 - HN    VAL   24   2.73 +/- 0.06  97.755% * 99.8455% (0.92  10.0   4.04  62.85) =  99.999%  kept
          HD2   PRO   68 - HN    VAL   24  19.09 +/- 4.43   0.921% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    VAL   24  17.02 +/- 4.08   1.014% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  19.39 +/- 1.96   0.309% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.37, residual support = 62.8:
      O   HB    VAL   24 - HN    VAL   24   2.54 +/- 0.25  89.598% * 99.7135% (0.95  10.0   4.37  62.85) =  99.996%  kept
          HB3   GLU-  79 - HN    VAL   24  12.81 +/- 8.28   8.249% *  0.0163% (0.15   1.0   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    VAL   24  12.08 +/- 0.55   0.890% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    VAL   24  20.92 +/- 5.17   0.832% *  0.0724% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    VAL   24  22.09 +/- 4.04   0.431% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.75, residual support = 17.2:
          QG2   THR   23 - HN    VAL   24   3.73 +/- 0.49  89.716% * 99.0441% (0.73   4.75  17.26) =  99.967%  kept
          QG2   THR   77 - HN    VAL   24  13.18 +/- 3.57   4.357% *  0.4168% (0.73   0.02   0.02) =   0.020%
          QB    ALA   34 - HN    VAL   24  12.49 +/- 0.77   2.769% *  0.2154% (0.38   0.02   0.02) =   0.007%
          QB    ALA   88 - HN    VAL   24  17.58 +/- 4.43   1.362% *  0.1958% (0.34   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    VAL   24  18.49 +/- 4.35   1.796% *  0.1278% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.862, support = 3.85, residual support = 62.8:
          QG1   VAL   24 - HN    VAL   24   2.00 +/- 0.15  83.685% * 76.7964% (0.90   3.79  62.85) =  94.964%  kept
          QG2   VAL   24 - HN    VAL   24   3.64 +/- 0.25  15.342% * 22.2032% (0.20   4.96  62.85) =   5.033%  kept
          QG1   VAL  107 - HN    VAL   24  18.27 +/- 3.25   0.175% *  0.4482% (0.99   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL   24  23.45 +/- 4.80   0.101% *  0.3621% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    VAL   24  12.54 +/- 0.60   0.361% *  0.1007% (0.22   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    VAL   24  22.23 +/- 6.65   0.337% *  0.0895% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.856, support = 1.91, residual support = 3.73:
          QD2   LEU   80 - HN    VAL   24   9.76 +/- 8.69  34.963% * 36.8517% (0.76   2.36   6.01) =  55.813%  kept
          QD1   LEU   63 - HN    VAL   24  13.94 +/- 4.92  16.820% * 32.0213% (1.00   1.57   1.19) =  23.330%  kept
          QD1   LEU   73 - HN    VAL   24   9.24 +/- 3.98  18.484% * 23.5908% (1.00   1.16   0.43) =  18.889%  kept
          QD2   LEU   63 - HN    VAL   24  14.84 +/- 4.50   6.132% *  4.3062% (0.61   0.35   1.19) =   1.144%  kept
          QG1   VAL   83 - HN    VAL   24  11.66 +/- 6.86   5.836% *  2.6328% (0.15   0.84   0.14) =   0.666%  kept
          QD1   LEU  104 - HN    VAL   24  16.77 +/- 5.39  14.591% *  0.2149% (0.53   0.02   0.02) =   0.136%  kept
          QD2   LEU  115 - HN    VAL   24  17.99 +/- 4.81   1.253% *  0.3270% (0.80   0.02   0.02) =   0.018%
          QG2   VAL   41 - HN    VAL   24  12.96 +/- 2.54   1.921% *  0.0553% (0.14   0.02   0.02) =   0.005%
    Distance limit 3.82 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 4.98, residual support = 21.6:
          HB2   HIS   22 - HN    THR   23   4.37 +/- 0.19  94.893% * 92.3241% (0.99   4.99  21.63) =  99.678%  kept
          HA    LEU   63 - HN    THR   23  17.21 +/- 3.89   3.705% *  7.6254% (0.84   0.49   0.18) =   0.321%  kept
          HA2   GLY  101 - HN    THR   23  21.32 +/- 3.86   1.402% *  0.0505% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.6, residual support = 21.6:
          HB3   HIS   22 - HN    THR   23   4.26 +/- 0.24  96.111% * 99.7163% (0.76   5.60  21.63) =  99.994%  kept
          HD3   ARG+  54 - HN    THR   23  22.73 +/- 6.38   2.499% *  0.1915% (0.41   0.02   0.02) =   0.005%
          HB2   PHE   95 - HN    THR   23  18.41 +/- 2.09   1.390% *  0.0922% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.36, residual support = 3.73:
          HB3   CYS   21 - HN    THR   23   4.79 +/- 0.99 100.000% *100.0000% (1.00   2.36   3.73) = 100.000%  kept
    Distance limit 4.53 A violated in 0 structures by 0.61 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.731, support = 1.9, residual support = 12.5:
          QG2   THR   26 - HN    THR   23   4.48 +/- 0.69  69.873% * 85.1021% (0.73   1.95  12.84) =  97.054%  kept
          HB2   LYS+  74 - HN    THR   23  10.89 +/- 5.86  15.394% * 11.1276% (0.95   0.20   0.02) =   2.796%  kept
          QB    ALA  120 - HN    THR   23  20.69 +/- 6.50   4.991% *  0.5853% (0.49   0.02   0.02) =   0.048%
          HG2   LYS+  65 - HN    THR   23  17.05 +/- 4.71   2.858% *  0.7779% (0.65   0.02   0.02) =   0.036%
          HD2   LYS+ 121 - HN    THR   23  23.45 +/- 6.33   1.878% *  0.6808% (0.57   0.02   0.02) =   0.021%
          HB3   LEU   40 - HN    THR   23  17.99 +/- 2.28   1.417% *  0.8732% (0.73   0.02   0.02) =   0.020%
          HG    LEU  115 - HN    THR   23  20.38 +/- 4.69   1.729% *  0.5853% (0.49   0.02   0.02) =   0.017%
          QD    LYS+  66 - HN    THR   23  17.88 +/- 3.35   1.859% *  0.2677% (0.22   0.02   0.02) =   0.008%
    Distance limit 4.44 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.88, residual support = 18.5:
          QG2   THR   23 - HN    THR   23   3.06 +/- 0.52  93.825% * 97.7620% (0.41   4.88  18.50) =  99.963%  kept
          QG2   THR   77 - HN    THR   23  13.66 +/- 4.36   2.524% *  0.9400% (0.97   0.02   0.02) =   0.026%
          QB    ALA   88 - HN    THR   23  18.84 +/- 4.35   0.789% *  0.6301% (0.65   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    THR   23  12.11 +/- 0.97   1.961% *  0.1503% (0.15   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    THR   23  20.37 +/- 3.56   0.540% *  0.2169% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   23  20.65 +/- 1.48   0.362% *  0.3006% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.475, support = 0.775, residual support = 0.397:
          QD2   LEU   80 - HN    THR   23  10.95 +/- 9.19  22.514% * 18.9994% (0.20   1.44   0.77) =  27.810%  kept
          QD1   LEU   63 - HN    THR   23  13.03 +/- 3.80  15.499% * 23.7912% (0.53   0.68   0.18) =  23.973%  kept
          QD1   LEU   73 - HN    THR   23   8.47 +/- 5.08  20.263% * 16.0538% (0.53   0.46   0.02) =  21.150%  kept
          QD1   LEU   80 - HN    THR   23  11.64 +/- 9.40  16.780% * 14.0723% (0.45   0.47   0.77) =  15.353%  kept
          QD2   LEU   63 - HN    THR   23  13.98 +/- 3.32   6.692% * 25.3273% (1.00   0.38   0.18) =  11.019%  kept
          QG2   VAL   41 - HN    THR   23  12.76 +/- 2.90   5.829% *  0.8620% (0.65   0.02   0.02) =   0.327%  kept
          QD2   LEU   98 - HN    THR   23  14.05 +/- 2.43   6.560% *  0.5974% (0.45   0.02   0.02) =   0.255%  kept
          QD2   LEU  115 - HN    THR   23  17.11 +/- 4.20   5.863% *  0.2967% (0.22   0.02   0.02) =   0.113%  kept
    Distance limit 3.90 A violated in 5 structures by 1.14 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 35.4:
      O   HB3   HIS   22 - HN    HIS   22   3.32 +/- 0.62  96.666% * 99.9260% (0.98  10.0   3.46  35.39) =  99.997%  kept
          HD3   ARG+  54 - HN    HIS   22  22.18 +/- 6.88   3.334% *  0.0740% (0.73   1.0   0.02   0.02) =   0.003%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.327, support = 5.87, residual support = 145.2:
          HG3   ARG+  54 - HN    ARG+  54   4.03 +/- 0.36  43.717% * 74.2664% (0.26   6.72 169.22) =  85.787%  kept
          QB    ALA   57 - HN    ARG+  54   5.89 +/- 1.73  23.570% * 22.5483% (0.72   0.74   0.52) =  14.042%  kept
          HD2   LYS+  74 - HN    ARG+  54  14.53 +/- 4.54   4.554% *  0.3566% (0.42   0.02   0.02) =   0.043%
          QB    ALA   57 - HN    ASP-  62   6.31 +/- 1.18  14.036% *  0.1137% (0.14   0.02   0.02) =   0.042%
          HD3   LYS+ 111 - HN    ARG+  54  14.42 +/- 3.81   2.425% *  0.6369% (0.76   0.02   0.02) =   0.041%
          HB3   LEU  123 - HN    ARG+  54  19.43 +/- 3.93   0.924% *  0.7796% (0.93   0.02   0.02) =   0.019%
          HD2   LYS+  74 - HN    ASP-  62  10.97 +/- 2.78   3.666% *  0.0667% (0.08   0.02   0.02) =   0.006%
          QD    LYS+  33 - HN    ARG+  54  25.22 +/- 3.17   0.239% *  0.7796% (0.93   0.02   0.02) =   0.005%
          HB3   LEU  123 - HN    ASP-  62  14.38 +/- 1.90   1.210% *  0.1459% (0.17   0.02   0.02) =   0.005%
          HG3   ARG+  54 - HN    ASP-  62  12.39 +/- 2.47   4.124% *  0.0414% (0.05   0.02   0.02) =   0.005%
          QD    LYS+  33 - HN    ASP-  62  18.15 +/- 2.53   0.759% *  0.1459% (0.17   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HN    ASP-  62  17.31 +/- 2.32   0.777% *  0.1192% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.44, residual support = 30.4:
      O   HB2   CYS   21 - HN    CYS   21   2.86 +/- 0.59  91.786% * 99.8975% (0.90  10.0   3.44  30.41) =  99.998%  kept
          HB2   CYS   21 - HN    ILE  119  20.28 +/- 5.19   4.798% *  0.0316% (0.28   1.0   0.02   0.02) =   0.002%
          HB2   PHE   45 - HN    CYS   21  16.81 +/- 5.34   0.822% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  12.79 +/- 0.83   1.435% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.26 +/- 3.34   0.302% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.54 +/- 1.45   0.857% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.44, residual support = 30.4:
      O   HB3   CYS   21 - HN    CYS   21   3.06 +/- 0.44  95.491% * 99.8170% (0.53  10.0   3.44  30.41) =  99.998%  kept
          HG2   MET   96 - HN    CYS   21  17.34 +/- 3.18   0.979% *  0.1151% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   CYS   21 - HN    ILE  119  20.39 +/- 5.33   2.299% *  0.0315% (0.17   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  14.97 +/- 2.90   1.231% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.307, support = 0.521, residual support = 1.12:
          HG    LEU  123 - HN    ILE  119   6.45 +/- 1.42  23.764% * 40.9303% (0.32   0.53   1.49) =  73.681%  kept
          HB3   ASP- 105 - HN    ILE  119  10.14 +/- 4.14  12.707% * 17.9579% (0.10   0.75   0.12) =  17.285%  kept
          HG    LEU  123 - HN    CYS   21  21.26 +/- 6.87   8.447% *  4.8992% (1.00   0.02   0.02) =   3.135%  kept
          HB    VAL   41 - HN    CYS   21  14.48 +/- 4.12   3.477% *  3.9317% (0.80   0.02   0.02) =   1.035%  kept
          QB    LYS+  66 - HN    CYS   21  15.13 +/- 3.35   2.484% *  2.9781% (0.61   0.02   0.02) =   0.560%  kept
          HB3   PRO   52 - HN    ILE  119  14.95 +/- 2.57   4.465% *  1.5481% (0.32   0.02   0.02) =   0.524%  kept
          QB    LYS+  66 - HN    ILE  119  12.42 +/- 3.17   7.339% *  0.9411% (0.19   0.02   0.02) =   0.523%  kept
          HG12  ILE  103 - HN    CYS   21  18.41 +/- 2.43   1.260% *  4.5326% (0.92   0.02   0.02) =   0.433%  kept
          QB    LYS+  33 - HN    CYS   21  12.23 +/- 2.53   5.022% *  1.0932% (0.22   0.02   0.02) =   0.416%  kept
          HG3   PRO   68 - HN    ILE  119  16.48 +/- 4.35   6.198% *  0.6379% (0.13   0.02   0.02) =   0.299%  kept
          HB3   PRO   52 - HN    CYS   21  22.02 +/- 4.40   0.767% *  4.8992% (1.00   0.02   0.02) =   0.285%  kept
          HG3   PRO   68 - HN    CYS   21  17.37 +/- 3.95   1.742% *  2.0186% (0.41   0.02   0.02) =   0.266%  kept
          HG2   ARG+  54 - HN    CYS   21  20.69 +/- 6.17   1.587% *  1.6749% (0.34   0.02   0.02) =   0.201%  kept
          HG2   PRO   93 - HN    CYS   21  19.52 +/- 3.97   1.520% *  1.6749% (0.34   0.02   0.02) =   0.193%  kept
          HG12  ILE  103 - HN    ILE  119  16.65 +/- 3.58   1.747% *  1.4322% (0.29   0.02   0.02) =   0.190%  kept
          HG2   PRO   93 - HN    ILE  119  14.02 +/- 2.38   4.071% *  0.5292% (0.11   0.02   0.02) =   0.163%  kept
          HB3   ASP- 105 - HN    CYS   21  18.99 +/- 2.80   1.216% *  1.5155% (0.31   0.02   0.02) =   0.140%  kept
          HB    VAL   41 - HN    ILE  119  17.57 +/- 3.44   1.421% *  1.2424% (0.25   0.02   0.02) =   0.134%  kept
          HG2   ARG+  54 - HN    ILE  119  15.56 +/- 2.95   3.299% *  0.5292% (0.11   0.02   0.02) =   0.132%  kept
          HB    ILE  103 - HN    CYS   21  20.40 +/- 2.66   0.921% *  1.8428% (0.38   0.02   0.02) =   0.129%  kept
          QB    LYS+ 102 - HN    CYS   21  19.58 +/- 3.06   1.340% *  0.8599% (0.18   0.02   0.02) =   0.087%
          HB    ILE  103 - HN    ILE  119  17.19 +/- 3.72   1.653% *  0.5823% (0.12   0.02   0.02) =   0.073%
          HB3   GLN   90 - HN    CYS   21  22.94 +/- 6.80   0.866% *  0.8599% (0.18   0.02   0.02) =   0.056%
          QB    LYS+ 102 - HN    ILE  119  17.88 +/- 3.57   1.402% *  0.2717% (0.06   0.02   0.02) =   0.029%
          QB    LYS+  33 - HN    ILE  119  22.03 +/- 4.27   0.788% *  0.3454% (0.07   0.02   0.02) =   0.021%
          HB3   GLN   90 - HN    ILE  119  23.73 +/- 1.70   0.498% *  0.2717% (0.06   0.02   0.02) =   0.010%
    Distance limit 3.63 A violated in 12 structures by 1.85 A, kept.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.582, support = 5.71, residual support = 127.2:
          QB    ALA   20 - HN    CYS   21   3.49 +/- 0.23  37.086% * 54.4002% (0.80   3.96  17.12) =  55.485%  kept
          HG13  ILE  119 - HN    ILE  119   3.45 +/- 0.76  38.099% * 42.2243% (0.31   7.94 265.88) =  44.243%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.57 +/- 0.83   4.760% *  1.5617% (0.13   0.70   8.24) =   0.204%  kept
          QG1   VAL   24 - HN    ILE  119  19.79 +/- 6.17   2.365% *  0.4204% (0.10   0.25   0.02) =   0.027%
          QG1   VAL   24 - HN    CYS   21   8.25 +/- 0.96   3.779% *  0.1060% (0.31   0.02   0.02) =   0.011%
          HB3   LEU   31 - HN    CYS   21  13.18 +/- 1.99   0.891% *  0.3315% (0.97   0.02   0.02) =   0.008%
          HG13  ILE  119 - HN    CYS   21  18.73 +/- 4.08   0.760% *  0.3367% (0.98   0.02   0.02) =   0.007%
          QG2   VAL  107 - HN    ILE  119   6.93 +/- 1.83   8.102% *  0.0242% (0.07   0.02   0.02) =   0.005%
          HD3   LYS+ 112 - HN    ILE  119  10.08 +/- 1.65   1.837% *  0.0446% (0.13   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    ILE  119  16.71 +/- 4.53   0.902% *  0.0869% (0.25   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    CYS   21  22.08 +/- 5.44   0.460% *  0.1412% (0.41   0.02   0.02) =   0.002%
          QG2   VAL  107 - HN    CYS   21  15.79 +/- 1.89   0.457% *  0.0765% (0.22   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  21.25 +/- 3.80   0.224% *  0.1412% (0.41   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  21.43 +/- 4.26   0.277% *  0.1047% (0.30   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.505, support = 1.96, residual support = 6.28:
          QD2   LEU   73 - HN    CYS   21   8.03 +/- 5.78  22.758% * 67.7366% (0.57   2.24   8.17) =  74.016%  kept
          QD1   ILE   19 - HN    CYS   21   5.41 +/- 1.04  21.866% * 18.1713% (0.22   1.53   1.21) =  19.078%  kept
          QG2   VAL   18 - HN    CYS   21   6.42 +/- 1.24  14.464% *  8.8130% (0.65   0.25   0.02) =   6.121%  kept
          QG1   VAL   43 - HN    CYS   21  11.76 +/- 5.15   5.265% *  0.9271% (0.87   0.02   0.02) =   0.234%  kept
          QG2   THR   46 - HN    CYS   21  12.56 +/- 5.32   4.484% *  0.5623% (0.53   0.02   0.02) =   0.121%  kept
          QG1   VAL   41 - HN    CYS   21  12.48 +/- 3.24   2.125% *  1.0476% (0.98   0.02   0.02) =   0.107%  kept
          HG    LEU   31 - HN    CYS   21  11.16 +/- 1.96   2.422% *  0.7761% (0.73   0.02   0.02) =   0.090%
          QD2   LEU   73 - HN    ILE  119  14.13 +/- 4.09   6.575% *  0.1912% (0.18   0.02   0.02) =   0.060%
          QD1   ILE   56 - HN    ILE  119   7.47 +/- 0.99   8.597% *  0.1042% (0.10   0.02   0.02) =   0.043%
          QG2   VAL   18 - HN    ILE  119  14.83 +/- 4.19   3.570% *  0.2185% (0.20   0.02   0.02) =   0.037%
          QD1   ILE   56 - HN    CYS   21  15.44 +/- 3.15   1.720% *  0.3299% (0.31   0.02   0.02) =   0.027%
          QG1   VAL   43 - HN    ILE  119  13.51 +/- 2.13   1.430% *  0.2930% (0.27   0.02   0.02) =   0.020%
          QG1   VAL   41 - HN    ILE  119  15.73 +/- 3.04   1.154% *  0.3310% (0.31   0.02   0.02) =   0.018%
          QG2   THR   46 - HN    ILE  119  13.19 +/- 1.88   1.497% *  0.1777% (0.17   0.02   0.02) =   0.013%
          HG    LEU   31 - HN    ILE  119  21.02 +/- 4.61   0.715% *  0.2452% (0.23   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    ILE  119  16.78 +/- 3.84   1.359% *  0.0752% (0.07   0.02   0.02) =   0.005%
    Distance limit 4.50 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.462, support = 4.73, residual support = 7.78:
          QD1   LEU   73 - HN    CYS   21   7.76 +/- 6.47  23.769% * 64.7171% (0.53   4.96   8.17) =  81.597%  kept
          QD2   LEU  115 - HN    ILE  119   4.76 +/- 1.19  26.110% *  8.8466% (0.07   5.07   8.96) =  12.252%  kept
          QD1   LEU   63 - HN    ILE  119   8.41 +/- 2.68  10.743% *  5.1766% (0.17   1.26   0.38) =   2.950%  kept
          QD1   LEU   63 - HN    CYS   21  11.62 +/- 2.58   3.411% * 11.2605% (0.53   0.86   0.16) =   2.038%  kept
          QD2   LEU   63 - HN    CYS   21  12.47 +/- 2.53   1.974% *  8.5133% (1.00   0.34   0.16) =   0.892%  kept
          QD1   LEU   80 - HN    CYS   21  13.09 +/- 9.83   7.490% *  0.2223% (0.45   0.02   0.02) =   0.088%
          QD2   LEU   63 - HN    ILE  119   9.07 +/- 2.83   6.755% *  0.1564% (0.32   0.02   0.38) =   0.056%
          QD2   LEU   80 - HN    CYS   21  12.66 +/- 9.44   6.448% *  0.0981% (0.20   0.02   0.02) =   0.034%
          QG2   VAL   41 - HN    CYS   21  12.19 +/- 4.07   1.830% *  0.3208% (0.65   0.02   0.02) =   0.031%
          QD1   LEU   73 - HN    ILE  119  15.12 +/- 4.24   4.584% *  0.0825% (0.17   0.02   0.02) =   0.020%
          QD2   LEU  115 - HN    CYS   21  15.68 +/- 3.40   2.589% *  0.1104% (0.22   0.02   0.02) =   0.015%
          QD2   LEU   98 - HN    CYS   21  13.70 +/- 3.19   1.122% *  0.2223% (0.45   0.02   0.02) =   0.013%
          QG2   VAL   41 - HN    ILE  119  15.30 +/- 2.88   1.420% *  0.1014% (0.20   0.02   0.02) =   0.008%
          QD2   LEU   98 - HN    ILE  119  15.02 +/- 2.90   1.021% *  0.0703% (0.14   0.02   0.02) =   0.004%
          QD1   LEU   80 - HN    ILE  119  19.62 +/- 2.55   0.337% *  0.0703% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  19.79 +/- 2.20   0.396% *  0.0310% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.315, support = 5.46, residual support = 53.5:
          HN    THR  118 - HN    ILE  119   2.52 +/- 0.12  80.383% * 40.2996% (0.28   5.87  59.45) =  86.980%  kept
          HN    GLN  116 - HN    ILE  119   4.89 +/- 0.27  11.296% * 38.5770% (0.53   2.97  15.60) =  11.700%  kept
          HN    GLU- 114 - HN    ILE  119   8.25 +/- 0.46   2.402% * 19.6952% (0.95   0.84   0.15) =   1.270%  kept
          HN    PHE   60 - HN    ILE  119   8.87 +/- 1.06   2.070% *  0.5188% (0.14   0.16   0.02) =   0.029%
          HN    LEU   71 - HN    ILE  119  16.47 +/- 4.38   1.180% *  0.4674% (0.95   0.02   0.02) =   0.015%
          HN    LEU   71 - HN    CYS   21  14.00 +/- 4.11   0.758% *  0.1477% (0.30   0.02   0.02) =   0.003%
          HN    GLU- 114 - HN    CYS   21  22.33 +/- 3.82   0.183% *  0.1477% (0.30   0.02   0.02) =   0.001%
          HN    GLN  116 - HN    CYS   21  20.47 +/- 4.09   0.310% *  0.0821% (0.17   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    CYS   21  16.01 +/- 3.94   1.064% *  0.0211% (0.04   0.02   0.02) =   0.001%
          HN    THR  118 - HN    CYS   21  20.08 +/- 4.34   0.353% *  0.0434% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1173 (7.23, 7.92, 121.27 ppm):
    8 chemical-shift based assignments, quality = 0.7, support = 2.84, residual support = 21.1:
          HN    HIS  122 - HN    ILE  119   5.22 +/- 0.13  23.128% * 69.7584% (1.00   2.90  19.28) =  59.466%  kept
          QE    PHE   59 - HN    ILE  119   3.48 +/- 0.89  60.113% * 16.1277% (0.22   3.00  23.85) =  35.733%  kept
          HN    PHE   59 - HN    ILE  119   7.77 +/- 1.44   9.772% * 13.2071% (0.57   0.97  23.85) =   4.757%  kept
          HH2   TRP   87 - HN    ILE  119  20.06 +/- 4.23   1.045% *  0.4819% (1.00   0.02   0.02) =   0.019%
          HH2   TRP   87 - HN    CYS   21  18.37 +/- 6.96   2.924% *  0.1523% (0.32   0.02   0.02) =   0.016%
          HN    HIS  122 - HN    CYS   21  20.38 +/- 5.29   0.885% *  0.1523% (0.32   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    CYS   21  17.52 +/- 3.96   1.149% *  0.0864% (0.18   0.02   0.02) =   0.004%
          QE    PHE   59 - HN    CYS   21  16.19 +/- 2.80   0.985% *  0.0340% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.54, residual support = 17.1:
          HN    ALA   20 - HN    CYS   21   4.25 +/- 0.11  97.423% * 99.8216% (0.95   3.54  17.12) =  99.995%  kept
          HN    ALA   20 - HN    ILE  119  19.78 +/- 4.97   2.577% *  0.1784% (0.30   0.02   0.02) =   0.005%
    Distance limit 4.47 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 = 5.8, residual support = 51.9:
        T HN    ALA  120 - HN    ILE  119   2.62 +/- 0.21  75.894% * 94.3936% (1.00 10.00   5.85  52.29) =  98.977%  kept
          HE21  GLN  116 - HN    ILE  119   5.49 +/- 1.21  14.371% *  5.1167% (0.80  1.00   1.35  15.60) =   1.016%  kept
        T HN    ALA  120 - HN    CYS   21  20.74 +/- 5.69   1.030% *  0.2983% (0.32 10.00   0.02   0.02) =   0.004%
          HN    ALA   57 - HN    ILE  119  10.36 +/- 1.82   1.546% *  0.0685% (0.73  1.00   0.02   0.02) =   0.001%
          HE21  GLN  116 - HN    CYS   21  21.39 +/- 5.76   1.773% *  0.0239% (0.25  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HN    ILE  119  10.52 +/- 0.64   1.235% *  0.0235% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  18.46 +/- 5.02   0.722% *  0.0217% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  21.25 +/- 5.45   0.721% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  23.56 +/- 7.49   1.534% *  0.0074% (0.08  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.56 +/- 1.88   0.946% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  25.79 +/- 1.73   0.086% *  0.0187% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  24.64 +/- 7.04   0.142% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.63, residual support = 59.4:
          HB    THR  118 - HN    ILE  119   3.22 +/- 0.21  91.152% * 98.1601% (0.98   5.63  59.45) =  99.987%  kept
          QB    SER   13 - HN    CYS   21  14.09 +/- 3.50   2.536% *  0.0816% (0.23   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ILE  119  22.69 +/- 5.55   0.653% *  0.2583% (0.73   0.02   0.02) =   0.002%
          HB    THR   39 - HN    ILE  119  21.22 +/- 4.06   0.497% *  0.2718% (0.76   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    ILE  119  20.48 +/- 1.99   0.393% *  0.3190% (0.90   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    ILE  119  24.02 +/- 4.22   0.377% *  0.3190% (0.90   0.02   0.02) =   0.001%
          HB    THR  118 - HN    CYS   21  18.92 +/- 3.69   0.777% *  0.1102% (0.31   0.02   0.02) =   0.001%
          HB    THR   39 - HN    CYS   21  16.45 +/- 4.12   0.980% *  0.0859% (0.24   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    CYS   21  17.03 +/- 3.36   0.830% *  0.1008% (0.28   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  20.82 +/- 5.73   0.533% *  0.1008% (0.28   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  20.37 +/- 9.90   1.092% *  0.0462% (0.13   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ILE  119  26.67 +/- 2.89   0.181% *  0.1462% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.894, support = 8.57, residual support = 265.1:
          HG12  ILE  119 - HN    ILE  119   2.71 +/- 0.54  70.752% * 94.5382% (0.90   8.59 265.88) =  99.699%  kept
          HB2   ASP- 105 - HN    ILE  119   9.76 +/- 3.83   6.402% *  2.5606% (0.14   1.54   0.12) =   0.244%  kept
          HB3   PHE   72 - HN    ILE  119  14.90 +/- 4.27   2.088% *  1.1668% (0.97   0.10   0.02) =   0.036%
          HB2   ASP-  44 - HN    ILE  119  12.92 +/- 1.69   0.936% *  0.2201% (0.90   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    CYS   21  12.21 +/- 3.40   2.830% *  0.0716% (0.29   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    CYS   21  11.58 +/- 4.88   2.568% *  0.0749% (0.30   0.02   0.02) =   0.003%
          QB    MET   11 - HN    CYS   21  16.45 +/- 4.48   5.518% *  0.0265% (0.11   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    CYS   21  13.28 +/- 5.00   1.784% *  0.0696% (0.28   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    CYS   21  10.06 +/- 1.61   2.595% *  0.0408% (0.17   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    CYS   21  12.98 +/- 2.01   1.104% *  0.0621% (0.25   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  16.95 +/- 2.40   0.550% *  0.1009% (0.41   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ILE  119  21.54 +/- 1.39   0.194% *  0.2433% (0.99   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ILE  119  21.29 +/- 4.11   0.228% *  0.1965% (0.80   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ILE  119  22.18 +/- 4.64   0.197% *  0.2266% (0.92   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ILE  119  25.13 +/- 5.73   0.321% *  0.1291% (0.53   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    CYS   21  18.43 +/- 3.73   0.533% *  0.0696% (0.28   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    CYS   21  20.24 +/- 6.32   0.438% *  0.0769% (0.31   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    CYS   21  21.48 +/- 4.73   0.565% *  0.0319% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  25.32 +/- 6.51   0.152% *  0.0837% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.32 +/- 2.98   0.244% *  0.0105% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.57, residual support = 265.9:
      O   HB    ILE  119 - HN    ILE  119   2.28 +/- 0.26  77.619% * 99.0354% (0.92  10.0   7.58 265.88) =  99.992%  kept
          HG3   GLN   30 - HN    CYS   21   7.95 +/- 2.92   4.712% *  0.0336% (0.31   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    CYS   21   8.64 +/- 2.73   2.730% *  0.0313% (0.29   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    CYS   21   9.53 +/- 2.28   7.456% *  0.0067% (0.06   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ILE  119  13.30 +/- 2.37   0.545% *  0.0779% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ILE  119  15.37 +/- 2.52   0.502% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119  11.34 +/- 1.21   0.740% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  20.83 +/- 4.60   0.241% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  17.41 +/- 3.57   0.320% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  20.65 +/- 4.71   0.247% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  14.09 +/- 2.31   0.574% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  20.39 +/- 4.67   0.490% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  19.67 +/- 4.87   0.565% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.80 +/- 4.42   0.544% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  22.54 +/- 4.08   0.097% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.96 +/- 0.65   0.838% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  21.43 +/- 5.73   0.302% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  21.06 +/- 3.85   0.175% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.06 +/- 1.54   0.502% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  21.16 +/- 2.85   0.122% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  17.83 +/- 4.71   0.310% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  26.60 +/- 6.78   0.158% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  21.95 +/- 2.24   0.106% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.55 +/- 3.67   0.106% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.908, support = 7.47, residual support = 239.6:
          HG13  ILE  119 - HN    ILE  119   3.45 +/- 0.76  34.914% * 84.2513% (0.99   7.94 265.88) =  89.586%  kept
          QB    ALA   20 - HN    CYS   21   3.49 +/- 0.23  32.553% *  8.1188% (0.19   3.96  17.12) =   8.049%  kept
          QG1   VAL  107 - HN    ILE  119   6.02 +/- 2.29  17.682% *  3.7403% (0.20   1.77   0.02) =   2.014%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.57 +/- 0.83   4.269% *  1.8691% (0.25   0.70   8.24) =   0.243%  kept
          QG1   VAL   24 - HN    ILE  119  19.79 +/- 6.17   2.241% *  1.3081% (0.49   0.25   0.02) =   0.089%
          HD3   LYS+ 112 - HN    ILE  119  10.08 +/- 1.65   1.548% *  0.1299% (0.61   0.02   0.02) =   0.006%
          QB    ALA   20 - HN    ILE  119  16.71 +/- 4.53   0.843% *  0.1299% (0.61   0.02   0.02) =   0.003%
          QG1   VAL   24 - HN    CYS   21   8.25 +/- 0.96   3.239% *  0.0329% (0.15   0.02   0.02) =   0.003%
          HB3   LEU   31 - HN    ILE  119  21.43 +/- 4.26   0.251% *  0.2137% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    CYS   21  13.18 +/- 1.99   0.759% *  0.0675% (0.32   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    CYS   21  18.73 +/- 4.08   0.708% *  0.0671% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  21.25 +/- 3.80   0.206% *  0.0410% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  22.08 +/- 5.44   0.432% *  0.0169% (0.08   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.55 +/- 1.94   0.357% *  0.0134% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (0.99, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.268, support = 1.3, residual support = 5.95:
          HG3   LYS+  74 - HN    CYS   21  10.86 +/- 8.08  17.807% * 42.9532% (0.23   1.42   9.07) =  60.546%  kept
          HB    VAL   75 - HN    CYS   21  12.45 +/- 7.66   9.667% * 42.3057% (0.24   1.33   1.42) =  32.374%  kept
          QD2   LEU   40 - HN    ILE  119  12.41 +/- 3.33   8.870% *  2.4866% (0.95   0.02   0.02) =   1.746%  kept
          QG2   ILE  103 - HN    ILE  119  12.45 +/- 3.07   9.279% *  2.1956% (0.84   0.02   0.02) =   1.613%  kept
          QD1   LEU   67 - HN    ILE  119  12.97 +/- 3.11   6.108% *  2.4265% (0.92   0.02   0.02) =   1.173%  kept
          QD1   LEU   67 - HN    CYS   21  11.40 +/- 4.50  10.184% *  0.7668% (0.29   0.02   0.02) =   0.618%  kept
          QD2   LEU   71 - HN    ILE  119  15.10 +/- 4.72   9.874% *  0.6555% (0.25   0.02   0.02) =   0.512%  kept
          HB    VAL   75 - HN    ILE  119  16.43 +/- 2.12   2.164% *  2.0089% (0.76   0.02   0.02) =   0.344%  kept
          HG3   LYS+  74 - HN    ILE  119  17.97 +/- 3.78   2.165% *  1.9088% (0.73   0.02   0.02) =   0.327%  kept
          QD2   LEU   40 - HN    CYS   21  13.81 +/- 1.33   3.473% *  0.7857% (0.30   0.02   0.02) =   0.216%  kept
          QD2   LEU   71 - HN    CYS   21  11.47 +/- 5.01  10.626% *  0.2071% (0.08   0.02   0.02) =   0.174%  kept
          QG2   ILE  103 - HN    CYS   21  16.35 +/- 2.05   3.147% *  0.6938% (0.26   0.02   0.02) =   0.173%  kept
          QD1   ILE  103 - HN    ILE  119  14.79 +/- 2.52   4.310% *  0.4604% (0.18   0.02   0.02) =   0.157%  kept
          QD1   ILE  103 - HN    CYS   21  16.28 +/- 2.31   2.325% *  0.1455% (0.06   0.02   0.02) =   0.027%
    Distance limit 3.58 A violated in 14 structures by 2.29 A, kept.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.98, residual support = 59.4:
          QG2   THR  118 - HN    ILE  119   3.55 +/- 0.35  98.124% * 99.9095% (0.57   6.98  59.45) =  99.998%  kept
          QG2   THR  118 - HN    CYS   21  15.53 +/- 2.82   1.876% *  0.0905% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.789, support = 3.73, residual support = 43.4:
          QB    ALA  120 - HN    ILE  119   4.14 +/- 0.18  32.987% * 60.3855% (0.80   4.38  52.29) =  79.600%  kept
          HG    LEU  115 - HN    ILE  119   5.84 +/- 1.02  14.328% * 14.9421% (0.80   1.08   8.96) =   8.555%  kept
          HB3   LEU  115 - HN    ILE  119   6.04 +/- 0.62  11.664% * 17.6863% (0.95   1.09   8.96) =   8.244%  kept
          HG    LEU   73 - HN    CYS   21   9.39 +/- 6.94  17.723% *  4.9123% (0.15   1.85   8.17) =   3.479%  kept
          HG    LEU   40 - HN    ILE  119  14.89 +/- 3.82   1.970% *  0.3258% (0.95   0.02   0.02) =   0.026%
          HG    LEU   73 - HN    ILE  119  17.18 +/- 5.24   2.910% *  0.1677% (0.49   0.02   0.02) =   0.019%
          QB    ALA  120 - HN    CYS   21  18.49 +/- 5.74   4.845% *  0.0872% (0.25   0.02   0.02) =   0.017%
          HG    LEU   67 - HN    ILE  119  16.05 +/- 3.87   1.000% *  0.3414% (0.99   0.02   0.02) =   0.014%
          QG    LYS+  66 - HN    ILE  119  12.63 +/- 3.47   2.478% *  0.1063% (0.31   0.02   0.02) =   0.011%
          HB3   LEU   40 - HN    ILE  119  16.46 +/- 3.88   1.197% *  0.1950% (0.57   0.02   0.02) =   0.009%
          HG    LEU   67 - HN    CYS   21  14.55 +/- 4.96   2.164% *  0.1079% (0.31   0.02   0.02) =   0.009%
          HG    LEU   40 - HN    CYS   21  15.34 +/- 2.02   0.690% *  0.1030% (0.30   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ILE  119  21.59 +/- 4.22   0.335% *  0.2089% (0.61   0.02   0.02) =   0.003%
          HG    LEU  115 - HN    CYS   21  18.79 +/- 3.46   0.727% *  0.0872% (0.25   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    CYS   21  18.64 +/- 2.93   0.587% *  0.1030% (0.30   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE  119  16.06 +/- 3.89   0.974% *  0.0603% (0.18   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    CYS   21  16.52 +/- 1.73   0.553% *  0.0616% (0.18   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  14.64 +/- 4.88   1.688% *  0.0191% (0.06   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    CYS   21  15.21 +/- 3.68   0.878% *  0.0336% (0.10   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    CYS   21  22.37 +/- 3.32   0.303% *  0.0660% (0.19   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.994, support = 1.14, residual support = 1.4:
          QG2   VAL   75 - HN    CYS   21  10.41 +/- 7.22  42.269% * 97.3687% (1.00   1.16   1.42) =  98.844%  kept
          QG2   VAL   42 - HN    CYS   21  11.80 +/- 2.79  17.253% *  1.5954% (0.95   0.02   0.02) =   0.661%  kept
          QG2   VAL   42 - HN    ILE  119  10.62 +/- 3.22  33.310% *  0.5041% (0.30   0.02   0.02) =   0.403%  kept
          QG2   VAL   75 - HN    ILE  119  15.01 +/- 1.84   7.167% *  0.5317% (0.32   0.02   0.02) =   0.092%
    Distance limit 4.48 A violated in 11 structures by 2.15 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.61, residual support = 14.9:
      O   QB    ALA   20 - HN    ALA   20   2.16 +/- 0.11  97.596% * 99.6430% (0.84  10.0   3.61  14.85) =  99.998%  kept
          HG2   LYS+ 121 - HN    ALA   20  22.05 +/- 6.25   0.972% *  0.1190% (1.00   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    ALA   20  16.35 +/- 2.44   0.363% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.47 +/- 1.88   0.581% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.60 +/- 4.35   0.311% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.47 +/- 3.08   0.176% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 2.05, residual support = 20.3:
          QG2   ILE   19 - HN    ALA   20   3.24 +/- 0.76  98.502% * 99.5596% (0.99   2.05  20.35) =  99.993%  kept
          QD1   LEU   98 - HN    ALA   20  15.30 +/- 3.17   1.498% *  0.4404% (0.45   0.02   0.02) =   0.007%
    Distance limit 3.80 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.963, support = 4.96, residual support = 123.0:
      O   HB    ILE   19 - HN    ILE   19   3.08 +/- 0.50  70.352% * 94.6004% (0.97  10.0   4.99 124.11) =  99.077%  kept
          HB2   GLN   17 - HN    ILE   19   6.11 +/- 0.62  12.374% *  4.9043% (0.73   1.0   1.38   0.02) =   0.903%  kept
          HB3   GLU-  25 - HN    ILE   19  12.56 +/- 3.19   8.269% *  0.0879% (0.90   1.0   0.02   0.02) =   0.011%
          QB    GLU-  15 - HN    ILE   19   8.80 +/- 1.11   4.369% *  0.0712% (0.73   1.0   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    ILE   19  15.00 +/- 4.29   1.117% *  0.0905% (0.92   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ILE   19  15.20 +/- 5.05   1.841% *  0.0334% (0.34   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ILE   19  20.15 +/- 3.39   0.503% *  0.0972% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ILE   19  24.25 +/- 3.53   0.269% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  19.01 +/- 3.38   0.496% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  19.37 +/- 2.94   0.411% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.725, support = 4.94, residual support = 109.5:
          HG12  ILE   19 - HN    ILE   19   2.92 +/- 0.93  51.176% * 62.5185% (0.73   5.31 124.11) =  87.714%  kept
          HG    LEU   73 - HN    ILE   19   9.93 +/- 7.39  12.651% * 31.0005% (0.80   2.39   5.02) =  10.752%  kept
          HB3   LYS+  74 - HN    ILE   19  10.87 +/- 7.73  11.705% *  4.3475% (0.18   1.53   7.69) =   1.395%  kept
          HB3   LEU   67 - HN    ILE   19  12.51 +/- 5.78   7.718% *  0.3242% (1.00   0.02   0.02) =   0.069%
          QB    ALA   61 - HN    ILE   19  11.50 +/- 3.94   1.985% *  0.3129% (0.97   0.02   0.02) =   0.017%
          HG    LEU   80 - HN    ILE   19  18.19 +/-10.19   1.867% *  0.2708% (0.84   0.02   0.02) =   0.014%
          HG    LEU   67 - HN    ILE   19  12.58 +/- 5.96   5.805% *  0.0722% (0.22   0.02   0.02) =   0.011%
          HB2   LEU   80 - HN    ILE   19  18.76 +/- 9.44   3.319% *  0.1001% (0.31   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    ILE   19  13.55 +/- 3.85   1.076% *  0.3067% (0.95   0.02   0.02) =   0.009%
          HG    LEU   40 - HN    ILE   19  13.20 +/- 3.87   1.464% *  0.1001% (0.31   0.02   0.02) =   0.004%
          QB    ALA  110 - HN    ILE   19  20.42 +/- 2.76   0.255% *  0.2596% (0.80   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE   19  21.70 +/- 4.21   0.242% *  0.2227% (0.69   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ILE   19  20.14 +/- 4.76   0.453% *  0.0642% (0.20   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ILE   19  18.62 +/- 2.59   0.284% *  0.1001% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 122.2:
          HG13  ILE   19 - HN    ILE   19   2.99 +/- 0.71  76.746% * 81.4980% (0.97   4.99 124.11) =  98.421%  kept
          HG2   LYS+  74 - HN    ILE   19  12.54 +/- 7.73   6.602% * 10.3340% (0.99   0.62   7.69) =   1.074%  kept
          HG    LEU   71 - HN    ILE   19  12.32 +/- 6.39   4.405% *  6.8657% (0.98   0.41   0.29) =   0.476%  kept
          QG2   THR   39 - HN    ILE   19  11.76 +/- 4.73   4.740% *  0.2323% (0.69   0.02   0.02) =   0.017%
          HG3   LYS+  99 - HN    ILE   19  17.52 +/- 3.46   0.663% *  0.3374% (1.00   0.02   0.02) =   0.004%
          QB    ALA   34 - HN    ILE   19  10.26 +/- 3.08   4.407% *  0.0458% (0.14   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    ILE   19  19.92 +/- 5.04   0.488% *  0.2323% (0.69   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ILE   19  18.33 +/- 2.79   0.530% *  0.1390% (0.41   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    ILE   19  21.61 +/- 6.10   0.486% *  0.1269% (0.38   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    ILE   19  16.29 +/- 2.41   0.658% *  0.0843% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  24.87 +/- 3.58   0.274% *  0.1044% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.348, support = 4.47, residual support = 21.0:
          QG1   VAL   18 - HN    ILE   19   3.13 +/- 0.66  79.803% * 74.9215% (0.34   4.59  21.56) =  97.189%  kept
          QD1   LEU   71 - HN    ILE   19  10.79 +/- 5.27   9.968% * 10.9977% (0.69   0.33   0.29) =   1.782%  kept
          QG1   VAL   70 - HN    ILE   19  10.41 +/- 3.40   4.964% * 12.2035% (0.45   0.57   0.02) =   0.985%  kept
          QD1   LEU  123 - HN    ILE   19  15.94 +/- 4.06   1.825% *  0.6577% (0.69   0.02   0.02) =   0.020%
          QD2   LEU  123 - HN    ILE   19  16.48 +/- 4.92   2.656% *  0.2955% (0.31   0.02   0.02) =   0.013%
          HB3   LEU  104 - HN    ILE   19  18.32 +/- 3.37   0.784% *  0.9241% (0.97   0.02   0.02) =   0.012%
    Distance limit 3.50 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.784, support = 4.69, residual support = 62.8:
          QG2   VAL   18 - HN    ILE   19   3.53 +/- 0.79  33.821% * 56.6338% (0.97   4.53  21.56) =  56.894%  kept
          QD1   ILE   19 - HN    ILE   19   3.30 +/- 0.91  36.564% * 37.3853% (0.57   5.09 124.11) =  40.603%  kept
          QD2   LEU   73 - HN    ILE   19   8.31 +/- 5.99  16.022% *  5.0637% (0.22   1.75   5.02) =   2.410%  kept
          QG1   VAL   43 - HN    ILE   19  12.05 +/- 5.96   8.331% *  0.2570% (0.99   0.02   0.02) =   0.064%
          QG1   VAL   41 - HN    ILE   19  11.35 +/- 4.57   2.190% *  0.2326% (0.90   0.02   0.02) =   0.015%
          QG2   THR   46 - HN    ILE   19  13.82 +/- 5.29   1.482% *  0.2326% (0.90   0.02   0.02) =   0.010%
          HG    LEU   31 - HN    ILE   19  11.54 +/- 2.51   1.169% *  0.0885% (0.34   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    ILE   19  15.32 +/- 2.99   0.422% *  0.1066% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.713, support = 4.72, residual support = 19.1:
          HG12  ILE   19 - HN    ALA   20   4.86 +/- 0.74  32.901% * 83.1727% (0.73   5.02  20.35) =  93.041%  kept
          HG    LEU   73 - HN    ALA   20  10.31 +/- 5.51  11.110% * 10.3788% (0.80   0.57   0.02) =   3.921%  kept
          HB3   LYS+  74 - HN    ALA   20   9.44 +/- 6.90  23.142% *  3.4477% (0.18   0.86   5.34) =   2.713%  kept
          QB    ALA   61 - HN    ALA   20  11.51 +/- 3.77   6.734% *  0.4401% (0.97   0.02   0.02) =   0.101%  kept
          HG    LEU   80 - HN    ALA   20  16.36 +/- 9.62   5.439% *  0.3809% (0.84   0.02   0.02) =   0.070%
          HB3   LEU   67 - HN    ALA   20  13.73 +/- 3.99   3.638% *  0.4560% (1.00   0.02   0.02) =   0.056%
          HB2   LEU   80 - HN    ALA   20  17.27 +/- 8.62   5.920% *  0.1408% (0.31   0.02   0.02) =   0.028%
          QG    LYS+  66 - HN    ALA   20  14.36 +/- 2.84   1.809% *  0.4314% (0.95   0.02   0.02) =   0.027%
          HG    LEU   67 - HN    ALA   20  13.71 +/- 4.35   4.510% *  0.1015% (0.22   0.02   0.02) =   0.016%
          QB    ALA  110 - HN    ALA   20  20.35 +/- 3.14   0.597% *  0.3652% (0.80   0.02   0.02) =   0.007%
          HG    LEU   40 - HN    ALA   20  14.98 +/- 1.84   1.364% *  0.1408% (0.31   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HN    ALA   20  21.78 +/- 5.84   1.667% *  0.0902% (0.20   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    ALA   20  22.89 +/- 3.95   0.420% *  0.3132% (0.69   0.02   0.02) =   0.004%
          HB3   LEU  115 - HN    ALA   20  18.99 +/- 3.38   0.750% *  0.1408% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.79 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.629, support = 2.41, residual support = 5.37:
          HG12  ILE   19 - HN    CYS   21   6.09 +/- 1.44  17.670% * 40.6910% (0.73   2.33   1.21) =  42.481%  kept
          HG    LEU   73 - HN    CYS   21   9.39 +/- 6.94  16.833% * 35.6692% (0.80   1.85   8.17) =  35.473%  kept
          HB3   LYS+  74 - HN    CYS   21   9.20 +/- 8.26  21.337% * 15.7033% (0.18   3.73   9.07) =  19.796%  kept
          HB3   LEU  115 - HN    ILE  119   6.04 +/- 0.62  10.095% *  2.5433% (0.10   1.09   8.96) =   1.517%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.58 +/- 1.07   6.195% *  1.0515% (0.06   0.70   8.24) =   0.385%  kept
          HG    LEU   80 - HN    CYS   21  15.27 +/-11.26   3.849% *  0.4013% (0.84   0.02   0.02) =   0.091%
          QB    ALA   61 - HN    CYS   21  12.22 +/- 4.08   2.037% *  0.4636% (0.97   0.02   0.02) =   0.056%
          HB3   LEU   67 - HN    CYS   21  14.64 +/- 4.88   1.226% *  0.4804% (1.00   0.02   0.02) =   0.035%
          QG    LYS+  66 - HN    CYS   21  15.21 +/- 3.68   0.730% *  0.4544% (0.95   0.02   0.02) =   0.020%
          QB    ALA  110 - HN    ILE  119  10.73 +/- 2.01   2.632% *  0.1216% (0.25   0.02   0.02) =   0.019%
          HB2   LEU   80 - HN    CYS   21  16.09 +/-10.17   2.009% *  0.1483% (0.31   0.02   0.02) =   0.018%
          QB    ALA   61 - HN    ILE  119  10.26 +/- 1.05   1.957% *  0.1465% (0.30   0.02   0.02) =   0.017%
          QG    LYS+  66 - HN    ILE  119  12.63 +/- 3.47   1.984% *  0.1436% (0.30   0.02   0.02) =   0.017%
          HG    LEU   73 - HN    ILE  119  17.18 +/- 5.24   2.329% *  0.1216% (0.25   0.02   0.02) =   0.017%
          QB    ALA  110 - HN    CYS   21  19.67 +/- 3.35   0.489% *  0.3847% (0.80   0.02   0.02) =   0.011%
          HG    LEU   67 - HN    CYS   21  14.55 +/- 4.96   1.594% *  0.1070% (0.22   0.02   0.02) =   0.010%
          HB3   LEU   67 - HN    ILE  119  16.06 +/- 3.89   0.855% *  0.1518% (0.32   0.02   0.02) =   0.008%
          HG    LEU   40 - HN    CYS   21  15.34 +/- 2.02   0.579% *  0.1483% (0.31   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    CYS   21  22.37 +/- 3.32   0.250% *  0.3300% (0.69   0.02   0.02) =   0.005%
          HB3   LEU  115 - HN    CYS   21  18.64 +/- 2.93   0.528% *  0.1483% (0.31   0.02   0.02) =   0.005%
          HG    LEU   40 - HN    ILE  119  14.89 +/- 3.82   1.643% *  0.0469% (0.10   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    ILE  119  19.31 +/- 4.01   0.529% *  0.1102% (0.23   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    CYS   21  21.87 +/- 5.09   0.434% *  0.0951% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE  119  21.59 +/- 4.22   0.305% *  0.1043% (0.22   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE  119  16.05 +/- 3.87   0.847% *  0.0338% (0.07   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE  119  23.75 +/- 2.84   0.173% *  0.1268% (0.26   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ILE  119  17.88 +/- 3.77   0.706% *  0.0266% (0.06   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  119  23.13 +/- 2.59   0.185% *  0.0469% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.16, residual support = 85.8:
      O   QG    GLN   17 - HE21  GLN   17   2.26 +/- 0.14  95.307% * 99.5957% (0.48  10.0   3.16  85.76) =  99.997%  kept
          HG3   GLU-  29 - HE21  GLN   17  15.99 +/- 5.35   2.423% *  0.0403% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HE21  GLN   17  16.53 +/- 5.02   0.743% *  0.1161% (0.57   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HE21  GLN   17  14.14 +/- 4.17   0.744% *  0.0879% (0.43   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HE21  GLN   17  19.08 +/- 4.34   0.302% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  20.29 +/- 5.79   0.381% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  30.05 +/- 7.65   0.100% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.54, residual support = 50.4:
        T HN    VAL   18 - HN    GLN   17   4.45 +/- 0.07  82.126% * 99.9055% (0.73 10.00   5.54  50.42) =  99.979%  kept
          HN    SER   13 - HN    GLN   17   8.67 +/- 1.83  17.874% *  0.0945% (0.69  1.00   0.02   0.02) =   0.021%
    Distance limit 4.31 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.54, residual support = 50.4:
        T HN    GLN   17 - HN    VAL   18   4.45 +/- 0.07  89.703% * 99.7850% (0.89 10.00   5.54  50.42) =  99.988%  kept
          HD21  ASN   69 - HN    VAL   18  14.47 +/- 5.41   8.757% *  0.1079% (0.96  1.00   0.02   0.02) =   0.011%
          HN    TRP   87 - HN    VAL   18  24.29 +/- 7.28   1.540% *  0.1071% (0.96  1.00   0.02   0.02) =   0.002%
    Distance limit 4.48 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 = 7.66:
        T HN    LYS+  74 - HN    ILE   19  10.12 +/- 8.34  52.022% * 96.0590% (0.41 10.00   3.35   7.69) =  99.541%  kept
          HN    THR   46 - HN    ILE   19  17.32 +/- 6.67   5.728% *  3.6332% (0.84  1.00   0.37   0.02) =   0.415%  kept
          HN    MET   11 - HN    ILE   19  16.07 +/- 4.52  26.726% *  0.0361% (0.15  1.00   0.02   0.02) =   0.019%
          HN    MET   92 - HN    ILE   19  22.78 +/- 6.04   3.068% *  0.2255% (0.97  1.00   0.02   0.02) =   0.014%
          HN    ASP- 113 - HN    ILE   19  23.22 +/- 3.21  12.456% *  0.0462% (0.20  1.00   0.02   0.02) =   0.011%
    Distance limit 4.63 A violated in 10 structures by 5.31 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.853, support = 2.83, residual support = 2.82:
          HN    THR   26 - HN    VAL   24   4.35 +/- 0.22  70.964% * 94.0202% (0.87   2.88   2.75) =  97.853%  kept
          HN    LEU   80 - HN    VAL   24  12.72 +/- 8.62  26.080% *  5.5949% (0.20   0.75   6.01) =   2.140%  kept
          HN    CYS   53 - HN    VAL   24  21.99 +/- 4.44   0.990% *  0.2829% (0.38   0.02   0.02) =   0.004%
          HN    ALA   34 - HN    VAL   24  14.50 +/- 0.59   1.966% *  0.1020% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.97, support = 3.66, residual support = 17.1:
          HN    THR   23 - HN    VAL   24   3.96 +/- 0.61  71.484% * 88.3956% (0.98   3.71  17.26) =  98.242%  kept
          HD2   HIS   22 - HN    VAL   24   8.03 +/- 1.45  11.367% *  5.9075% (0.22   1.09   0.02) =   1.044%  kept
          HE3   TRP   27 - HN    VAL   24   8.02 +/- 0.42  10.100% *  4.3092% (0.76   0.23  26.60) =   0.677%  kept
          HN    LEU   67 - HN    VAL   24  18.06 +/- 4.09   2.421% *  0.3340% (0.69   0.02   0.02) =   0.013%
          QE    PHE   95 - HN    VAL   24  16.92 +/- 2.72   1.377% *  0.4819% (0.99   0.02   0.02) =   0.010%
          QD    PHE   55 - HN    VAL   24  21.09 +/- 4.91   1.519% *  0.4061% (0.84   0.02   0.02) =   0.010%
          HD1   TRP   49 - HN    VAL   24  21.14 +/- 5.58   1.731% *  0.1658% (0.34   0.02   0.02) =   0.004%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 5.6:
          HE1   TRP   87 - HE1   TRP   27  11.42 +/- 8.07 100.000% *100.0000% (0.53   0.75   5.60) = 100.000%  kept
    Distance limit 4.09 A violated in 11 structures by 7.41 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   2.72 +/- 0.06  86.198% * 97.3221% (0.98 10.00   4.49  20.13) =  99.733%  kept
          HN    GLN   32 - HN    ASN   35   5.10 +/- 0.26  13.320% *  1.6696% (0.53  1.00   0.64   3.57) =   0.264%  kept
        T HN    LEU   80 - HN    ASN   35  21.98 +/- 4.06   0.215% *  0.9165% (0.92 10.00   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    ASN   35  28.75 +/- 2.71   0.085% *  0.0721% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  23.98 +/- 4.72   0.182% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.46, residual support = 18.9:
        T HN    SER   37 - HN    GLU-  36   2.53 +/- 0.20  99.343% * 99.7690% (0.98 10.00   4.46  18.90) = 100.000%  kept
          HN    ILE  119 - HN    GLU-  36  25.58 +/- 4.16   0.181% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - HN    GLU-  36  17.47 +/- 2.43   0.369% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  25.62 +/- 2.83   0.106% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.34, residual support = 29.0:
        T HN    LYS+  38 - HN    THR   39   2.77 +/- 0.11  97.074% * 99.8693% (1.00 10.00   5.34  28.99) =  99.999%  kept
          HN    LEU   31 - HN    THR   39   9.60 +/- 0.80   2.476% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  18.74 +/- 1.48   0.341% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  27.31 +/- 2.30   0.108% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.763, support = 3.99, residual support = 15.5:
          HN    MET   96 - HN    VAL   43   3.63 +/- 0.87  84.852% * 98.7515% (0.76   4.00  15.58) =  99.775%  kept
          HN    PHE   72 - HN    VAL   43   7.81 +/- 1.10  15.148% *  1.2485% (0.22   0.17   0.02) =   0.225%  kept
    Distance limit 3.83 A violated in 1 structures by 0.22 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.376, support = 3.32, residual support = 3.07:
          HN    LEU   73 - HN    ASP-  44   5.92 +/- 1.31  50.521% * 69.6430% (0.38   3.93   4.04) =  73.182%  kept
          HN    VAL   42 - HN    ASP-  44   6.12 +/- 0.48  43.646% * 29.4155% (0.38   1.66   0.42) =  26.704%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.44 +/- 0.99   5.834% *  0.9415% (1.00   0.02   0.02) =   0.114%  kept
    Distance limit 4.28 A violated in 1 structures by 0.84 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.78, residual support = 34.7:
          HN    VAL   42 - HN    VAL   43   4.23 +/- 0.22  69.094% * 72.2784% (0.38   6.26  39.18) =  87.842%  kept
          HN    LEU   73 - HN    VAL   43   6.71 +/- 1.56  25.374% * 27.1074% (0.38   2.35   2.53) =  12.098%  kept
          HN    LYS+ 106 - HN    VAL   43  10.02 +/- 0.99   5.532% *  0.6142% (1.00   0.02   0.02) =   0.060%
    Distance limit 4.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.836, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44   9.71 +/- 1.57  41.532% * 15.3753% (0.65   0.02   0.02) =  33.373%  kept
          HN    ALA   84 - HN    ASP-  44  11.77 +/- 1.21  23.947% * 23.7147% (1.00   0.02   0.02) =  29.679%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.33 +/- 2.43  13.505% * 23.7147% (1.00   0.02   0.02) =  16.738%  kept
          HN    ILE   56 - HN    ASP-  44  14.13 +/- 1.75  15.275% * 18.1638% (0.76   0.02   0.02) =  14.500%  kept
          HE21  GLN   32 - HN    ASP-  44  20.23 +/- 2.90   5.740% * 19.0315% (0.80   0.02   0.02) =   5.709%  kept
    Distance limit 4.27 A violated in 20 structures by 4.51 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.612, support = 0.519, residual support = 1.29:
          QD    PHE   60 - HN    ASP-  44   7.60 +/- 2.34  40.737% * 38.0371% (0.41   0.75   2.27) =  56.721%  kept
          HN    LYS+  66 - HN    ASP-  44  10.71 +/- 2.13  22.823% * 26.8310% (0.90   0.24   0.02) =  22.416%  kept
          QE    PHE   59 - HN    ASP-  44  10.25 +/- 2.07  21.421% * 21.5404% (0.92   0.19   0.02) =  16.890%  kept
          HN    PHE   59 - HN    ASP-  44  12.61 +/- 1.71   8.013% * 13.2109% (0.57   0.19   0.02) =   3.875%  kept
          HN    LYS+  81 - HN    ASP-  44  13.76 +/- 1.38   7.007% *  0.3807% (0.15   0.02   0.02) =   0.098%
    Distance limit 4.57 A violated in 12 structures by 2.02 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  14.07 +/- 2.26  47.310% * 36.0114% (0.77   0.02   0.02) =  51.075%  kept
          HN    GLN   17 - HN    ASP-  62  16.24 +/- 3.74  35.831% * 29.1578% (0.63   0.02   0.02) =  31.320%  kept
          HN    TRP   87 - HN    ASP-  62  20.64 +/- 2.62  16.859% * 34.8308% (0.75   0.02   0.02) =  17.605%  kept
    Distance limit 3.46 A violated in 20 structures by 8.91 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.325, support = 5.79, residual support = 41.9:
        T HN    LEU   63 - HN    ASP-  62   2.65 +/- 0.15  96.272% * 72.1658% (0.32 10.00   5.85  42.33) =  98.934%  kept
        T HN    ILE   56 - HN    ASP-  62   9.06 +/- 0.92   2.734% * 27.3122% (0.42 10.00   0.58   0.02) =   1.063%  kept
          HN    LYS+ 111 - HN    ASP-  62  14.99 +/- 1.61   0.601% *  0.1668% (0.75  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ASP-  62  20.53 +/- 2.16   0.243% *  0.1668% (0.75  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ASP-  62  24.97 +/- 3.08   0.149% *  0.1885% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.936, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   9.46 +/- 1.55  83.990% * 48.0011% (0.92   0.02   0.02) =  82.885%  kept
          HN    ALA  110 - HN    LEU   73  18.59 +/- 4.06  16.010% * 51.9989% (1.00   0.02   0.02) =  17.115%  kept
    Distance limit 4.04 A violated in 20 structures by 5.37 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.458, support = 3.66, residual support = 17.4:
          HN    VAL   75 - HN    ASP-  76   4.31 +/- 0.14  61.940% * 44.2633% (0.28   4.64  26.49) =  59.863%  kept
          HN    ASP-  78 - HN    ASP-  76   5.36 +/- 0.40  33.260% * 55.2380% (0.73   2.22   3.93) =  40.115%  kept
          HN    MET   11 - HN    ASP-  76  25.56 +/- 6.75   3.752% *  0.1909% (0.28   0.02   0.02) =   0.016%
          HN    LYS+ 112 - HN    ASP-  76  19.02 +/- 3.29   1.047% *  0.3078% (0.45   0.02   0.02) =   0.007%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.32, residual support = 28.4:
        T HN    LYS+ 111 - HN    LYS+ 112   4.39 +/- 0.16  79.589% * 97.6939% (0.87 10.00   5.34  28.47) =  99.574%  kept
          HN    ILE   56 - HN    LYS+ 112   8.99 +/- 2.91  16.054% *  2.0558% (0.49  1.00   0.75   5.54) =   0.423%  kept
          HN    LEU   63 - HN    LYS+ 112  13.86 +/- 1.96   3.275% *  0.0423% (0.38  1.00   0.02   0.02) =   0.002%
          HN    ALA   84 - HN    LYS+ 112  20.92 +/- 2.44   0.871% *  0.0977% (0.87  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    LYS+ 112  32.50 +/- 2.84   0.211% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.529, support = 0.02, residual support = 0.148:
          QD    PHE   60 - HN    GLN  116   9.45 +/- 2.17  33.296% * 26.8436% (0.65   0.02   0.02) =  50.563%  kept
          QD    PHE   55 - HN    GLN  116   7.78 +/- 2.54  49.034% * 11.5373% (0.28   0.02   0.42) =  32.004%  kept
          HN    LYS+  81 - HN    GLN  116  24.37 +/- 3.55   4.438% * 39.2529% (0.95   0.02   0.02) =   9.856%  kept
          HN    LYS+  66 - HN    GLN  116  14.74 +/- 1.88   8.975% *  8.2119% (0.20   0.02   0.02) =   4.169%  kept
          HE3   TRP   27 - HN    GLN  116  19.88 +/- 3.68   4.256% * 14.1544% (0.34   0.02   0.02) =   3.408%  kept
    Distance limit 4.35 A violated in 16 structures by 2.45 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.787, support = 6.07, residual support = 46.8:
      O   HA    ILE  119 - HN    ALA  120   3.59 +/- 0.03  56.876% * 84.7513% (0.80  10.0   6.29  52.29) =  89.380%  kept
          HA    THR  118 - HN    ALA  120   4.13 +/- 0.31  38.144% * 15.0115% (0.67   1.0   4.23   0.49) =  10.617%  kept
          HA2   GLY  109 - HN    ALA  120  14.52 +/- 2.48   1.315% *  0.0402% (0.38   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ALA  120  10.80 +/- 1.82   2.693% *  0.0193% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  120  21.65 +/- 4.22   0.433% *  0.0782% (0.74   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  120  20.74 +/- 2.27   0.340% *  0.0402% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  24.17 +/- 1.96   0.200% *  0.0593% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 0.994, residual support = 5.21:
          HA    SER  117 - HN    ALA  120   3.63 +/- 0.33  93.002% * 96.3563% (0.92   0.99   5.21) =  99.922%  kept
          HA    ASP-  62 - HN    ALA  120  12.59 +/- 1.30   2.532% *  1.0216% (0.49   0.02   0.02) =   0.029%
          HB    THR   26 - HN    ALA  120  24.61 +/- 6.93   1.707% *  1.4839% (0.71   0.02   0.02) =   0.028%
          HA    ALA   57 - HN    ALA  120  13.28 +/- 1.29   2.052% *  0.7982% (0.38   0.02   0.02) =   0.018%
          HA1   GLY   51 - HN    ALA  120  20.08 +/- 2.97   0.707% *  0.3400% (0.16   0.02   0.02) =   0.003%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.14, residual support = 119.0:
      O   HG3   GLN  116 - HE21  GLN  116   3.35 +/- 0.50  98.623% * 99.8198% (0.69  10.0   4.14 119.05) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  22.91 +/- 2.85   0.416% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  18.44 +/- 1.93   0.763% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  31.03 +/- 4.50   0.199% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.671, support = 3.5, residual support = 85.9:
          HB3   LEU  115 - HE21  GLN  116   7.68 +/- 1.67  15.576% * 60.7397% (0.95   3.62  98.90) =  48.655%  kept
          HG    LEU  115 - HE21  GLN  116   6.82 +/- 1.98  23.896% * 31.0562% (0.41   4.26  98.90) =  38.167%  kept
          QB    ALA  120 - HE21  GLN  116   5.42 +/- 1.61  40.982% *  6.1688% (0.41   0.85   0.18) =  13.002%  kept
          QG    LYS+  66 - HE21  GLN  116  14.10 +/- 3.50   3.473% *  0.2437% (0.69   0.02   0.02) =   0.044%
          QB    ALA   61 - HE21  GLN  116  11.04 +/- 1.87   4.948% *  0.1210% (0.34   0.02   0.02) =   0.031%
          HG    LEU   73 - HE21  GLN  116  20.29 +/- 5.58   1.634% *  0.3077% (0.87   0.02   0.02) =   0.026%
          HG    LEU   67 - HE21  GLN  116  18.67 +/- 4.18   1.298% *  0.3077% (0.87   0.02   0.02) =   0.021%
          HG    LEU   40 - HE21  GLN  116  18.86 +/- 3.69   1.050% *  0.3356% (0.95   0.02   0.02) =   0.018%
          QB    ALA  110 - HE21  GLN  116  11.06 +/- 1.71   4.249% *  0.0621% (0.18   0.02   0.02) =   0.014%
          HB3   LEU   67 - HE21  GLN  116  18.72 +/- 4.35   1.495% *  0.1727% (0.49   0.02   0.02) =   0.013%
          HG2   LYS+ 102 - HE21  GLN  116  25.90 +/- 3.55   0.321% *  0.3356% (0.95   0.02   0.02) =   0.006%
          HB3   LEU   40 - HE21  GLN  116  20.45 +/- 3.60   0.773% *  0.0790% (0.22   0.02   0.02) =   0.003%
          HG    LEU   80 - HE21  GLN  116  26.35 +/- 3.36   0.306% *  0.0702% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.68 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 = 0.502, support = 1.42, residual support = 0.765:
          QB    GLU- 114 - HN    SER  117   4.77 +/- 0.27  43.097% * 64.4032% (0.61   1.36   0.81) =  73.686%  kept
          HB    ILE  119 - HN    SER  117   4.99 +/- 0.39  38.264% * 25.2557% (0.20   1.63   0.64) =  25.656%  kept
          HB2   LYS+ 111 - HN    SER  117   8.03 +/- 1.23  10.801% *  1.5582% (1.00   0.02   0.02) =   0.447%  kept
          HB2   GLN   17 - HN    SER  117  22.79 +/- 4.59   1.334% *  1.5582% (1.00   0.02   0.02) =   0.055%
          HB3   PRO   68 - HN    SER  117  19.79 +/- 3.52   1.058% *  1.3044% (0.84   0.02   0.02) =   0.037%
          HG2   PRO   68 - HN    SER  117  18.48 +/- 4.04   1.741% *  0.7001% (0.45   0.02   0.02) =   0.032%
          QB    GLU-  15 - HN    SER  117  23.42 +/- 4.07   0.578% *  1.5582% (1.00   0.02   0.02) =   0.024%
          HB3   GLU-  25 - HN    SER  117  27.99 +/- 6.53   0.624% *  1.4416% (0.92   0.02   0.02) =   0.024%
          HB    ILE   19 - HN    SER  117  21.51 +/- 4.22   0.870% *  0.8216% (0.53   0.02   0.02) =   0.019%
          HG3   GLN   30 - HN    SER  117  22.90 +/- 4.03   0.634% *  0.7001% (0.45   0.02   0.02) =   0.012%
          HB2   GLN   30 - HN    SER  117  22.66 +/- 4.01   0.638% *  0.3091% (0.20   0.02   0.02) =   0.005%
          HB3   GLU- 100 - HN    SER  117  24.56 +/- 2.98   0.359% *  0.3894% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.68 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 = 0.867, support = 2.51, residual support = 2.8:
          HG    LEU  115 - HN    SER  117   5.11 +/- 0.60  31.952% * 41.2685% (0.84   2.96   2.28) =  45.117%  kept
          HB3   LEU  115 - HN    SER  117   5.35 +/- 0.38  27.012% * 39.9957% (0.92   2.59   2.28) =  36.965%  kept
          QB    ALA  120 - HN    SER  117   5.20 +/- 0.63  29.972% * 17.4127% (0.84   1.25   5.21) =  17.857%  kept
          HG    LEU   73 - HN    SER  117  18.65 +/- 5.78   3.778% *  0.1499% (0.45   0.02   0.02) =   0.019%
          HG    LEU   40 - HN    SER  117  17.26 +/- 3.13   1.148% *  0.3087% (0.92   0.02   0.02) =   0.012%
          HG    LEU   67 - HN    SER  117  18.24 +/- 3.38   0.906% *  0.3278% (0.98   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    SER  117  14.49 +/- 3.41   3.096% *  0.0930% (0.28   0.02   0.02) =   0.010%
          HB3   LEU   40 - HN    SER  117  18.92 +/- 3.00   0.794% *  0.2028% (0.61   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    SER  117  22.89 +/- 3.20   0.435% *  0.1893% (0.57   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    SER  117  18.28 +/- 3.50   0.906% *  0.0516% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.93, residual support = 15.0:
          HB2   PHE   97 - HN    LEU  104   3.69 +/- 1.00  61.393% * 73.4215% (1.00   3.13  16.15) =  92.190%  kept
          QE    LYS+ 106 - HN    LEU  104   6.55 +/- 1.54  22.273% * 13.3384% (0.76   0.74   0.11) =   6.076%  kept
          HB3   TRP   27 - HN    LEU  104  15.36 +/- 4.17   6.102% *  8.9644% (0.99   0.38   1.83) =   1.119%  kept
          QE    LYS+  99 - HN    LEU  104   7.79 +/- 1.08   7.550% *  3.9268% (0.38   0.44  17.37) =   0.606%  kept
          HB3   PHE   60 - HN    LEU  104  15.86 +/- 2.71   1.239% *  0.2665% (0.57   0.02   0.02) =   0.007%
          QE    LYS+  38 - HN    LEU  104  14.03 +/- 2.24   1.443% *  0.0824% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.929, support = 5.34, residual support = 35.1:
          HG12  ILE  103 - HN    LEU  104   4.03 +/- 0.46  55.857% * 83.2311% (0.97   5.61  37.87) =  92.554%  kept
          QB    LYS+ 102 - HN    LEU  104   5.51 +/- 0.30  24.190% * 15.2578% (0.49   2.04   0.32) =   7.348%  kept
          HB    VAL   41 - HN    LEU  104   8.45 +/- 1.61   9.309% *  0.3073% (1.00   0.02   0.02) =   0.057%
          HB3   PRO   52 - HN    LEU  104  22.33 +/- 4.56   2.663% *  0.2349% (0.76   0.02   0.02) =   0.012%
          QB    LYS+  66 - HN    LEU  104  15.39 +/- 3.15   1.851% *  0.2907% (0.95   0.02   0.02) =   0.011%
          HB2   LEU   71 - HN    LEU  104  13.39 +/- 2.43   2.832% *  0.1048% (0.34   0.02   0.02) =   0.006%
          HG2   PRO   93 - HN    LEU  104  17.76 +/- 2.25   1.251% *  0.2232% (0.73   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    LEU  104  18.08 +/- 4.53   0.970% *  0.2349% (0.76   0.02   0.02) =   0.005%
          QB    LYS+  65 - HN    LEU  104  16.00 +/- 2.21   1.077% *  0.1153% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.605, support = 1.8, residual support = 30.4:
          QB    LEU   98 - HN    ILE  103   4.16 +/- 0.55  75.983% * 89.0656% (0.61   1.81  30.51) =  99.633%  kept
          HD3   LYS+ 121 - HN    ILE  103  16.83 +/- 7.62   5.687% *  1.4540% (0.90   0.02   0.02) =   0.122%  kept
          QB    ALA   12 - HN    ILE  103  22.89 +/- 4.87   6.258% *  0.5530% (0.34   0.02   0.02) =   0.051%
          QB    ALA   61 - HN    ILE  103  17.39 +/- 3.63   2.780% *  0.9179% (0.57   0.02   0.02) =   0.038%
          HB2   LEU   80 - HN    ILE  103  18.62 +/- 4.76   1.527% *  1.5891% (0.98   0.02   0.02) =   0.036%
          HG    LEU   80 - HN    ILE  103  19.48 +/- 5.28   1.955% *  1.2390% (0.76   0.02   0.02) =   0.036%
          QB    ALA  110 - HN    ILE  103  17.28 +/- 1.54   1.292% *  1.2982% (0.80   0.02   0.02) =   0.025%
          HG12  ILE   19 - HN    ILE  103  19.72 +/- 3.66   0.973% *  1.4063% (0.87   0.02   0.02) =   0.020%
          HB3   LYS+  74 - HN    ILE  103  19.14 +/- 2.39   0.966% *  1.4063% (0.87   0.02   0.02) =   0.020%
          HB3   LEU   67 - HN    ILE  103  18.04 +/- 2.70   1.284% *  0.6665% (0.41   0.02   0.02) =   0.013%
          QG    LYS+  66 - HN    ILE  103  18.91 +/- 3.41   1.295% *  0.4043% (0.25   0.02   0.02) =   0.008%
    Distance limit 4.40 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.768, support = 5.23, residual support = 35.4:
          QD2   LEU  104 - HN    ILE  103   5.10 +/- 0.88  27.336% * 79.5260% (1.00   5.60  37.87) =  66.426%  kept
          QD1   LEU   98 - HN    ILE  103   3.67 +/- 0.80  55.718% * 19.6908% (0.31   4.49  30.51) =  33.524%  kept
          QG1   VAL   43 - HN    ILE  103   9.08 +/- 2.30   6.344% *  0.0969% (0.34   0.02   0.02) =   0.019%
          QG1   VAL   41 - HN    ILE  103   8.30 +/- 1.41   7.702% *  0.0562% (0.20   0.02   0.02) =   0.013%
          QD1   ILE   19 - HN    ILE  103  16.65 +/- 3.05   1.029% *  0.2741% (0.97   0.02   0.02) =   0.009%
          QG2   THR   46 - HN    ILE  103  16.13 +/- 1.97   0.935% *  0.1951% (0.69   0.02   0.02) =   0.006%
          QG2   VAL   18 - HN    ILE  103  17.71 +/- 4.00   0.936% *  0.1608% (0.57   0.02   0.02) =   0.005%
    Distance limit 4.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.41, support = 6.86, residual support = 215.7:
          QD1   LEU  104 - HN    LEU  104   3.58 +/- 0.64  70.796% * 97.1198% (0.41   6.87 216.03) =  99.831%  kept
          QD1   LEU   73 - HN    LEU  104  12.35 +/- 2.56   4.934% *  0.6637% (0.97   0.02   0.02) =   0.048%
          QD1   LEU   63 - HN    LEU  104  11.28 +/- 2.30   4.416% *  0.6637% (0.97   0.02   0.02) =   0.043%
          QD2   LEU   63 - HN    LEU  104  11.21 +/- 2.71   4.306% *  0.4994% (0.73   0.02   0.02) =   0.031%
          QG2   VAL   41 - HN    LEU  104   7.32 +/- 1.63  11.876% *  0.1361% (0.20   0.02   0.02) =   0.023%
          QD2   LEU  115 - HN    LEU  104  13.15 +/- 2.29   2.302% *  0.4724% (0.69   0.02   0.02) =   0.016%
          QD2   LEU   80 - HN    LEU  104  15.92 +/- 3.51   1.369% *  0.4449% (0.65   0.02   0.02) =   0.009%
    Distance limit 4.62 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 = 0.638, support = 4.61, residual support = 17.9:
          QD1   LEU   98 - HN    ASP- 105   5.70 +/- 0.90  34.656% * 73.2221% (0.95   3.33   5.97) =  60.015%  kept
          QD2   LEU  104 - HN    ASP- 105   4.38 +/- 0.52  63.746% * 26.5149% (0.18   6.52  35.90) =  39.975%  kept
          QG2   ILE   19 - HN    ASP- 105  15.91 +/- 2.83   1.598% *  0.2630% (0.57   0.02   0.02) =   0.010%
    Distance limit 4.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.896, support = 4.01, residual support = 135.3:
          HG3   LYS+ 106 - HN    LYS+ 106   3.64 +/- 0.57  66.351% * 95.5272% (0.90   4.01 135.46) =  99.876%  kept
          HB    VAL   42 - HN    LYS+ 106  11.36 +/- 1.24   2.710% *  0.5296% (1.00   0.02   0.02) =   0.023%
          QB    LEU   98 - HN    LYS+ 106   8.56 +/- 0.71   6.319% *  0.2182% (0.41   0.02   0.02) =   0.022%
          HG3   LYS+ 102 - HN    LYS+ 106  12.70 +/- 1.22   1.930% *  0.5260% (0.99   0.02   0.02) =   0.016%
          HD3   LYS+ 121 - HN    LYS+ 106  11.12 +/- 6.34   9.506% *  0.0929% (0.18   0.02   0.02) =   0.014%
          HB2   LYS+ 112 - HN    LYS+ 106  14.68 +/- 1.72   1.338% *  0.5122% (0.97   0.02   0.02) =   0.011%
          HB3   LEU   73 - HN    LYS+ 106  16.67 +/- 3.15   0.931% *  0.5296% (1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    LYS+ 106   9.98 +/- 1.24   4.162% *  0.1182% (0.22   0.02   0.02) =   0.008%
          HB3   PRO   93 - HN    LYS+ 106  13.21 +/- 1.42   2.283% *  0.1810% (0.34   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HN    LYS+ 106  18.76 +/- 2.66   0.655% *  0.5296% (1.00   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HN    LYS+ 106  20.42 +/- 2.17   0.440% *  0.5202% (0.98   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    LYS+ 106  15.91 +/- 1.67   1.147% *  0.1638% (0.31   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    LYS+ 106  24.12 +/- 4.02   0.340% *  0.3646% (0.69   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+ 106  16.31 +/- 3.66   1.207% *  0.0819% (0.15   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    LYS+ 106  18.28 +/- 2.19   0.681% *  0.1050% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 2.84, residual support = 26.3:
          QG1   VAL  107 - HN    LYS+ 106   5.00 +/- 0.71  68.723% * 97.0495% (0.53   2.85  26.36) =  99.749%  kept
          QG2   VAL   24 - HN    LYS+ 106  17.37 +/- 3.43   5.306% *  1.1229% (0.87   0.02   0.02) =   0.089%
          HG    LEU   63 - HN    LYS+ 106  13.83 +/- 2.55   4.928% *  0.9400% (0.73   0.02   0.02) =   0.069%
          QG1   VAL   24 - HN    LYS+ 106  18.24 +/- 4.50  12.265% *  0.2882% (0.22   0.02   0.02) =   0.053%
          HG3   LYS+ 112 - HN    LYS+ 106  14.29 +/- 1.88   4.374% *  0.3996% (0.31   0.02   0.02) =   0.026%
          HD3   LYS+ 112 - HN    LYS+ 106  14.68 +/- 1.88   4.404% *  0.1997% (0.15   0.02   0.02) =   0.013%
    Distance limit 4.85 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 65.0:
          QG1   VAL  108 - HN    VAL  108   3.60 +/- 0.14  93.843% * 99.4337% (0.98   4.52  65.00) =  99.987%  kept
          HB3   LEU   63 - HN    VAL  108  14.92 +/- 2.98   2.387% *  0.2361% (0.53   0.02   0.02) =   0.006%
          QD1   LEU   40 - HN    VAL  108  13.36 +/- 1.30   2.089% *  0.2184% (0.49   0.02   0.02) =   0.005%
          QD2   LEU   67 - HN    VAL  108  16.65 +/- 3.09   1.680% *  0.1119% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 2.94, residual support = 7.69:
          QG2   ILE   89 - HN    ALA   91   3.41 +/- 0.74  68.751% * 97.0922% (1.00   2.95   7.72) =  99.523%  kept
          QD1   LEU  104 - HN    TRP   27  14.60 +/- 4.83  16.418% *  1.2091% (0.02   1.92   1.83) =   0.296%  kept
          QG1   VAL   83 - HN    TRP   27  11.90 +/- 7.08   9.133% *  1.1689% (0.07   0.55   0.44) =   0.159%  kept
          QG1   VAL   83 - HN    ALA   91  10.22 +/- 0.89   3.711% *  0.3467% (0.53   0.02   0.02) =   0.019%
          QG2   ILE   89 - HN    TRP   27  15.14 +/- 3.69   1.469% *  0.0814% (0.12   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ALA   91  18.47 +/- 2.20   0.517% *  0.1017% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.452, support = 5.25, residual support = 39.3:
          HG3   LYS+  99 - HN    GLU- 100   3.95 +/- 0.65  39.172% * 94.9587% (0.45   5.31  39.72) =  98.950%  kept
          QB    ALA   34 - HN    GLU- 100   5.81 +/- 2.53  27.866% *  0.5797% (0.73   0.02   0.02) =   0.430%  kept
          QG2   THR   39 - HN    GLU- 100   6.88 +/- 1.87  15.399% *  0.7552% (0.95   0.02   0.02) =   0.309%  kept
          HG3   LYS+  38 - HN    GLU- 100   9.58 +/- 3.04  11.684% *  0.7913% (0.99   0.02   0.02) =   0.246%  kept
          HG    LEU   71 - HN    GLU- 100  11.08 +/- 2.23   2.817% *  0.2996% (0.38   0.02   0.02) =   0.022%
          QG2   ILE   56 - HN    GLU- 100  19.41 +/- 2.71   0.756% *  0.7160% (0.90   0.02   0.02) =   0.014%
          HG13  ILE   19 - HN    GLU- 100  16.50 +/- 4.03   0.825% *  0.5165% (0.65   0.02   0.02) =   0.011%
          QB    ALA   91 - HN    GLU- 100  20.11 +/- 1.88   0.348% *  0.7552% (0.95   0.02   0.02) =   0.007%
          QG2   THR   23 - HN    GLU- 100  17.56 +/- 3.03   0.619% *  0.2996% (0.38   0.02   0.02) =   0.005%
          HG2   LYS+  74 - HN    GLU- 100  18.08 +/- 2.67   0.515% *  0.3282% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.564, support = 1.33, residual support = 5.95:
          QB    ALA   84 - HN    LYS+  81   4.50 +/- 0.21  80.295% * 81.1878% (0.57   1.34   5.97) =  99.602%  kept
          HB3   LEU   73 - HN    LYS+  81  14.85 +/- 2.43   3.056% *  1.9809% (0.92   0.02   0.02) =   0.092%
          HB    VAL   42 - HN    LYS+  81  18.52 +/- 2.23   1.643% *  1.8614% (0.87   0.02   0.02) =   0.047%
          HB3   PRO   93 - HN    LYS+  81  16.13 +/- 2.10   2.258% *  1.3015% (0.61   0.02   0.02) =   0.045%
          HG3   LYS+ 106 - HN    LYS+  81  19.78 +/- 2.90   1.118% *  2.1459% (1.00   0.02   0.02) =   0.037%
          HG3   LYS+  65 - HN    LYS+  81  21.75 +/- 4.18   1.084% *  1.8614% (0.87   0.02   0.02) =   0.031%
          HB2   LYS+ 112 - HN    LYS+  81  23.60 +/- 3.79   0.864% *  2.1034% (0.98   0.02   0.02) =   0.028%
          HG3   LYS+  33 - HN    LYS+  81  22.65 +/- 6.00   1.036% *  1.7183% (0.80   0.02   0.02) =   0.027%
          HG3   LYS+ 102 - HN    LYS+  81  24.62 +/- 4.28   0.653% *  2.0299% (0.95   0.02   0.02) =   0.020%
          HG    LEU   98 - HN    LYS+  81  18.98 +/- 3.52   1.350% *  0.9621% (0.45   0.02   0.02) =   0.020%
          HB3   ASP-  44 - HN    LYS+  81  14.78 +/- 1.31   2.473% *  0.4777% (0.22   0.02   0.02) =   0.018%
          QB    LEU   98 - HN    LYS+  81  16.70 +/- 2.91   1.939% *  0.4247% (0.20   0.02   0.02) =   0.013%
          QB    ALA   12 - HN    LYS+  81  24.52 +/- 5.55   0.885% *  0.8822% (0.41   0.02   0.02) =   0.012%
          HB2   LEU   63 - HN    LYS+  81  21.13 +/- 2.60   0.989% *  0.3311% (0.15   0.02   0.02) =   0.005%
          QB    ALA  124 - HN    LYS+  81  28.95 +/- 3.15   0.357% *  0.7320% (0.34   0.02   0.02) =   0.004%
    Distance limit 4.22 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.78, residual support = 212.4:
          QD1   ILE   89 - HN    ILE   89   3.31 +/- 0.72  72.947% * 94.5224% (0.92   5.89 216.48) =  98.102%  kept
          QG2   VAL   83 - HN    ILE   89   5.23 +/- 0.62  25.387% *  5.2388% (1.00   0.30   0.02) =   1.892%  kept
          QD2   LEU   31 - HN    ILE   89  14.88 +/- 4.12   1.665% *  0.2388% (0.69   0.02   0.02) =   0.006%
    Distance limit 3.77 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 = 4.11, residual support = 9.89:
          QB    ALA   88 - HN    ILE   89   3.38 +/- 0.41  57.939% * 60.5285% (0.34   4.77   9.09) =  76.163%  kept
          QB    ALA   84 - HN    ILE   89   4.44 +/- 0.65  32.482% * 33.6203% (0.45   2.02  12.51) =  23.717%  kept
          HB3   LEU   80 - HN    ILE   89   9.65 +/- 1.24   3.023% *  0.7289% (0.98   0.02   0.02) =   0.048%
          HB3   ASP-  44 - HN    ILE   89  12.05 +/- 1.52   1.464% *  0.6211% (0.84   0.02   0.02) =   0.020%
          HB3   PRO   93 - HN    ILE   89  11.69 +/- 1.25   2.182% *  0.3057% (0.41   0.02   0.02) =   0.014%
          HG2   LYS+ 111 - HN    ILE   89  18.07 +/- 2.67   0.690% *  0.7289% (0.98   0.02   0.02) =   0.011%
          HG    LEU   98 - HN    ILE   89  15.19 +/- 2.97   0.851% *  0.4210% (0.57   0.02   0.02) =   0.008%
          HB2   LEU   31 - HN    ILE   89  19.72 +/- 4.88   0.463% *  0.7420% (1.00   0.02   0.02) =   0.007%
          HB2   LEU   63 - HN    ILE   89  19.04 +/- 2.58   0.392% *  0.6865% (0.92   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HN    ILE   89  21.88 +/- 2.21   0.237% *  0.5955% (0.80   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HN    ILE   89  25.94 +/- 2.64   0.145% *  0.5108% (0.69   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ILE   89  26.18 +/- 2.50   0.133% *  0.5108% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.619, support = 4.13, residual support = 35.1:
          QB    ALA   91 - HN    GLN   90   4.45 +/- 0.49  46.374% * 61.1624% (0.84   3.04  32.14) =  63.119%  kept
          HG12  ILE   89 - HN    GLN   90   4.51 +/- 0.62  46.014% * 35.9664% (0.25   5.99  40.19) =  36.829%  kept
          HG2   LYS+  74 - HN    GLN   90  14.44 +/- 2.50   2.206% *  0.4445% (0.92   0.02   0.02) =   0.022%
          HG13  ILE   19 - HN    GLN   90  24.05 +/- 6.18   0.613% *  0.4815% (1.00   0.02   0.02) =   0.007%
          QG2   ILE   56 - HN    GLN   90  15.46 +/- 2.81   1.537% *  0.1807% (0.38   0.02   0.02) =   0.006%
          HG    LEU   71 - HN    GLN   90  22.37 +/- 3.18   0.477% *  0.4318% (0.90   0.02   0.02) =   0.005%
          QG2   THR   39 - HN    GLN   90  20.60 +/- 1.86   0.497% *  0.4022% (0.84   0.02   0.02) =   0.004%
          HG3   LYS+  99 - HN    GLN   90  24.50 +/- 2.02   0.291% *  0.4555% (0.95   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    GLN   90  16.89 +/- 2.94   1.179% *  0.0953% (0.20   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    GLN   90  19.17 +/- 2.01   0.638% *  0.1072% (0.22   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    GLN   90  29.03 +/- 2.16   0.175% *  0.2726% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (2.24, 7.39, 112.01 ppm):
    11 chemical-shift based assignments, quality = 0.341, support = 3.03, residual support = 94.9:
      O   QG    GLN   90 - HE21  GLN   90   2.38 +/- 0.40  96.434% * 98.4545% (0.34  10.0   3.03  94.86) =  99.992%  kept
          HG3   MET   92 - HE21  GLN   90  10.98 +/- 2.15   1.793% *  0.2886% (1.00   1.0   0.02   0.17) =   0.005%
          HB3   ASP-  76 - HE21  GLN   90  14.43 +/- 2.18   0.591% *  0.1634% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HE21  GLN   90  23.37 +/- 2.00   0.137% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  28.15 +/- 5.64   0.086% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  25.12 +/- 2.17   0.121% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  17.32 +/- 1.35   0.348% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  22.87 +/- 1.74   0.139% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  29.63 +/- 2.58   0.068% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  29.90 +/- 4.59   0.109% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  30.29 +/- 5.51   0.176% *  0.0391% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 94.9:
      O   HB2   GLN   90 - HN    GLN   90   3.32 +/- 0.69  95.469% * 99.4917% (0.73  10.0   5.59  94.86) =  99.994%  kept
          HB3   GLU-  79 - HN    GLN   90  12.70 +/- 1.68   3.135% *  0.1343% (0.98   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    GLN   90  25.95 +/- 4.49   0.325% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  26.36 +/- 1.80   0.254% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  25.74 +/- 5.08   0.344% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  25.63 +/- 2.02   0.283% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  28.90 +/- 1.68   0.190% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.856, support = 5.42, residual support = 43.3:
          QD2   LEU   73 - HN    PHE   72   4.59 +/- 0.87  38.840% * 95.2191% (0.87   5.53  44.33) =  97.725%  kept
          QG2   VAL   18 - HN    PHE   72   9.04 +/- 5.84  24.382% *  2.7588% (0.34   0.41   0.89) =   1.777%  kept
          QG1   VAL   43 - HN    PHE   72   7.42 +/- 1.33  12.025% *  0.9966% (0.57   0.09   0.02) =   0.317%  kept
          QG1   VAL   41 - HN    PHE   72   7.13 +/- 1.48  13.698% *  0.3032% (0.76   0.02   0.02) =   0.110%  kept
          HG    LEU   31 - HN    PHE   72  10.84 +/- 2.07   4.291% *  0.3828% (0.97   0.02   0.02) =   0.043%
          QD1   ILE   56 - HN    PHE   72  12.76 +/- 2.42   2.799% *  0.2406% (0.61   0.02   0.02) =   0.018%
          QG2   THR   46 - HN    PHE   72  10.63 +/- 1.65   3.964% *  0.0989% (0.25   0.02   0.02) =   0.010%
    Distance limit 4.59 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 = 3.35, residual support = 45.9:
          QB    ALA   64 - HN    PHE   72   4.05 +/- 0.71  96.905% * 99.8957% (1.00   3.35  45.90) =  99.997%  kept
          QB    ALA   47 - HN    PHE   72  14.60 +/- 1.51   3.095% *  0.1043% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.702, support = 2.53, residual support = 7.55:
          HB    ILE   19 - HN    LYS+  74   9.80 +/- 7.22  34.865% * 91.7512% (0.71   2.58   7.69) =  98.189%  kept
          HB2   GLN   17 - HN    LYS+  74  13.92 +/- 5.97   7.188% *  4.7670% (0.43   0.22   0.02) =   1.052%  kept
          HG2   PRO   68 - HN    LYS+  74  14.00 +/- 2.52  11.869% *  0.6998% (0.69   0.02   0.02) =   0.255%  kept
          QB    GLU- 114 - HN    LYS+  74  17.44 +/- 3.90   6.808% *  0.7123% (0.71   0.02   0.02) =   0.149%  kept
          HB3   GLU-  25 - HN    LYS+  74  15.14 +/- 3.97   4.532% *  0.5716% (0.57   0.02   0.02) =   0.080%
          HB2   LEU  115 - HN    LYS+  74  15.92 +/- 3.85  10.481% *  0.2435% (0.24   0.02   0.02) =   0.078%
          HB3   PRO   68 - HN    LYS+  74  14.13 +/- 2.46  11.924% *  0.1780% (0.18   0.02   0.02) =   0.065%
          QB    GLU-  15 - HN    LYS+  74  15.84 +/- 4.76   4.014% *  0.4330% (0.43   0.02   0.02) =   0.053%
          HG3   PRO   58 - HN    LYS+  74  17.68 +/- 3.71   5.105% *  0.2679% (0.27   0.02   0.02) =   0.042%
          HB2   LYS+ 111 - HN    LYS+  74  20.89 +/- 3.74   3.212% *  0.3756% (0.37   0.02   0.02) =   0.037%
    Distance limit 4.64 A violated in 11 structures by 2.50 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.48, residual support = 42.9:
          QD1   LEU   73 - HN    LYS+  74   4.24 +/- 0.93  53.478% * 97.1625% (0.37   5.50  43.08) =  99.580%  kept
          QD2   LEU   80 - HN    LYS+  74   8.99 +/- 2.97  10.474% *  0.6019% (0.64   0.02   0.02) =   0.121%  kept
          QD2   LEU  115 - HN    LYS+  74  13.42 +/- 3.25   8.318% *  0.5822% (0.61   0.02   0.02) =   0.093%
          QG1   VAL   83 - HN    LYS+  74   9.43 +/- 2.42   7.343% *  0.5129% (0.54   0.02   0.02) =   0.072%
          QD1   LEU   63 - HN    LYS+  74   9.29 +/- 2.06  10.664% *  0.3531% (0.37   0.02   0.02) =   0.072%
          QD1   LEU  104 - HN    LYS+  74  13.54 +/- 2.56   3.800% *  0.6697% (0.71   0.02   0.02) =   0.049%
          QG2   ILE   89 - HN    LYS+  74  10.54 +/- 1.24   5.923% *  0.1175% (0.12   0.02   0.02) =   0.013%
    Distance limit 4.64 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.36, support = 4.4, residual support = 26.5:
          QG2   THR   77 - HN    ASP-  78   3.70 +/- 0.77  54.509% * 77.4385% (0.34   4.64  27.80) =  94.235%  kept
          HB3   LEU   80 - HN    ASP-  78   6.67 +/- 1.02  15.025% * 16.5585% (0.69   0.49   6.13) =   5.554%  kept
          QB    ALA   84 - HN    ASP-  78   5.97 +/- 0.98  19.502% *  0.1509% (0.15   0.02   0.02) =   0.066%
          HB3   ASP-  44 - HN    ASP-  78  10.28 +/- 1.53   4.073% *  0.4384% (0.45   0.02   0.02) =   0.040%
          QB    ALA   88 - HN    ASP-  78  11.58 +/- 1.06   2.082% *  0.7101% (0.73   0.02   0.02) =   0.033%
          HG2   LYS+ 111 - HN    ASP-  78  19.65 +/- 4.88   1.586% *  0.8770% (0.90   0.02   0.02) =   0.031%
          HB2   LEU   63 - HN    ASP-  78  16.43 +/- 2.80   1.226% *  0.5537% (0.57   0.02   0.02) =   0.015%
          HB2   LEU   31 - HN    ASP-  78  19.44 +/- 3.79   0.495% *  0.8168% (0.84   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    ASP-  78  23.27 +/- 2.47   0.315% *  0.9779% (1.00   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HN    ASP-  78  25.88 +/- 1.93   0.193% *  0.9586% (0.98   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    ASP-  78  17.77 +/- 2.48   0.717% *  0.2177% (0.22   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ASP-  78  25.52 +/- 3.01   0.278% *  0.3018% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.937, support = 0.681, residual support = 0.442:
          QB    ALA   47 - HN    ASP-  78   7.83 +/- 3.53  59.551% * 59.0604% (0.92   0.75   0.54) =  76.032%  kept
          QG1   VAL   42 - HN    ASP-  78  12.06 +/- 1.34  27.653% * 39.3647% (0.98   0.47   0.12) =  23.532%  kept
          HG2   LYS+ 112 - HN    ASP-  78  17.99 +/- 4.61  12.796% *  1.5749% (0.92   0.02   0.02) =   0.436%  kept
    Distance limit 4.58 A violated in 12 structures by 3.07 A, kept.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.653, support = 4.21, residual support = 24.8:
          HB    THR   77 - HN    ASP-  78   3.89 +/- 0.32  60.440% * 37.5869% (0.45   4.64  27.80) =  56.701%  kept
          HA    GLU-  79 - HN    ASP-  78   5.05 +/- 0.14  28.546% * 60.6920% (0.92   3.64  20.97) =  43.243%  kept
          HA1   GLY   51 - HN    ASP-  78  16.19 +/- 4.13   1.573% *  0.3603% (1.00   0.02   0.02) =   0.014%
          HA    ASP-  44 - HN    ASP-  78  10.45 +/- 0.80   3.359% *  0.1355% (0.38   0.02   0.02) =   0.011%
          HA    SER   85 - HN    ASP-  78  11.59 +/- 1.12   2.638% *  0.1619% (0.45   0.02   0.02) =   0.011%
          HA    ALA   57 - HN    ASP-  78  16.65 +/- 3.95   1.272% *  0.3239% (0.90   0.02   0.02) =   0.010%
          HA    THR   39 - HN    ASP-  78  22.34 +/- 1.99   0.384% *  0.3485% (0.97   0.02   0.02) =   0.003%
          HA    ILE  103 - HN    ASP-  78  19.34 +/- 1.85   0.570% *  0.2045% (0.57   0.02   0.02) =   0.003%
          HA    MET   11 - HN    ASP-  78  29.14 +/- 6.17   0.744% *  0.1232% (0.34   0.02   0.02) =   0.002%
          HA    SER  117 - HN    ASP-  78  23.31 +/- 3.08   0.474% *  0.0632% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.56, residual support = 39.9:
      O   HA    ASP-  78 - HN    ASP-  78   2.80 +/- 0.06  90.511% * 98.6815% (1.00  10.0   4.57  39.98) =  99.908%  kept
          HA    LEU   80 - HN    ASP-  78   6.90 +/- 0.74   6.798% *  1.1840% (0.49   1.0   0.49   6.13) =   0.090%
          HA    THR   23 - HN    ASP-  78  15.20 +/- 6.27   1.567% *  0.0856% (0.87   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HN    ASP-  78  16.69 +/- 5.62   0.893% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  20.86 +/- 1.57   0.231% *  0.0152% (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 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.988, support = 8.05, residual support = 198.0:
      O   HA    ILE  119 - HN    ILE  119   2.80 +/- 0.06  57.473% * 50.7779% (1.00  10.0   8.58 265.88) =  67.118%  kept
      O   HA    THR  118 - HN    ILE  119   3.51 +/- 0.03  29.173% * 49.0042% (0.97  10.0   6.97  59.45) =  32.879%  kept
          HA2   GLY  109 - HN    ILE  119  12.80 +/- 2.21   0.925% *  0.0369% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    CYS   21  11.56 +/- 9.08  10.161% *  0.0028% (0.06   1.0   0.02   1.42) =   0.001%
          HB2   TRP   49 - HN    ILE  119  19.67 +/- 3.66   0.261% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.01 +/- 4.22   0.575% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  21.94 +/- 1.78   0.129% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  20.19 +/- 4.82   0.370% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  19.00 +/- 7.47   0.389% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  22.63 +/- 6.39   0.200% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  18.57 +/- 2.21   0.231% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  23.77 +/- 2.93   0.112% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.701, support = 5.28, residual support = 29.4:
          HB2   CYS   53 - HN    ARG+  54   3.52 +/- 0.33  57.351% * 76.5197% (0.72   5.52  31.55) =  92.887%  kept
          HD3   PRO   52 - HN    ARG+  54   5.22 +/- 0.24  18.596% * 13.3197% (0.26   2.64   1.97) =   5.243%  kept
          HD2   PRO   58 - HN    ARG+  54   7.94 +/- 1.66   9.640% *  8.4709% (0.87   0.51   0.02) =   1.728%  kept
          HD2   PRO   58 - HN    ASP-  62   7.06 +/- 0.92   8.540% *  0.7393% (0.16   0.24   0.02) =   0.134%  kept
          HB2   CYS   53 - HN    ASP-  62  10.79 +/- 1.98   3.360% *  0.0518% (0.14   0.02   0.02) =   0.004%
          HA    VAL   83 - HN    ARG+  54  21.77 +/- 2.09   0.287% *  0.3145% (0.82   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ARG+  54  28.31 +/- 2.69   0.142% *  0.3028% (0.79   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    ARG+  54  26.04 +/- 3.45   0.189% *  0.1237% (0.32   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  20.90 +/- 2.13   0.324% *  0.0588% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  21.00 +/- 2.50   0.317% *  0.0567% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  15.68 +/- 1.91   0.759% *  0.0189% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  18.66 +/- 2.61   0.494% *  0.0231% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.877, support = 0.476, residual support = 0.163:
          QG2   VAL   18 - HN    ALA   61  10.82 +/- 4.29  19.277% * 27.1494% (0.95   0.46   0.29) =  31.503%  kept
          QG2   THR   46 - HN    ALA   61   8.41 +/- 2.72  24.470% * 20.7924% (0.87   0.39   0.02) =  30.627%  kept
          QG1   VAL   43 - HN    ALA   61  10.79 +/- 1.88  11.987% * 39.0002% (1.00   0.63   0.23) =  28.140%  kept
          QD2   LEU   73 - HN    ALA   61   9.57 +/- 2.74  19.024% *  6.3851% (0.25   0.41   0.02) =   7.312%  kept
          QD1   ILE   19 - HN    ALA   61  13.25 +/- 2.65   5.854% *  4.6066% (0.53   0.14   0.02) =   1.623%  kept
          QG1   VAL   41 - HN    ALA   61  13.72 +/- 1.80   6.225% *  1.1396% (0.92   0.02   0.02) =   0.427%  kept
          QD2   LEU  104 - HN    ALA   61  14.85 +/- 3.36   9.017% *  0.4633% (0.38   0.02   0.02) =   0.252%  kept
          HG    LEU   31 - HN    ALA   61  17.54 +/- 3.34   4.146% *  0.4633% (0.38   0.02   0.02) =   0.116%  kept
    Distance limit 4.65 A violated in 9 structures by 1.33 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.918, support = 5.64, residual support = 51.3:
          QB    GLU-  36 - HN    ASN   35   4.40 +/- 0.35  65.741% * 96.6515% (0.92   5.68  51.72) =  99.251%  kept
          HB2   LYS+  38 - HN    ASN   35   6.75 +/- 0.53  21.095% *  2.0659% (0.28   0.40   0.02) =   0.681%  kept
          HB3   GLU-  29 - HN    ASN   35   9.18 +/- 0.72   7.846% *  0.3651% (0.99   0.02   0.02) =   0.045%
          HG3   GLU-  29 - HN    ASN   35  11.10 +/- 0.69   4.378% *  0.2675% (0.73   0.02   0.02) =   0.018%
          HB3   GLU-  79 - HN    ASN   35  22.05 +/- 3.49   0.659% *  0.3196% (0.87   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    ASN   35  28.63 +/- 3.23   0.281% *  0.3304% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 47.8:
      O   QB    MET   11 - HN    MET   11   2.82 +/- 0.51  91.070% * 99.3665% (0.69  10.0   3.00  47.76) =  99.996%  kept
          QG    GLU-  15 - HN    MET   11  11.73 +/- 2.21   3.177% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    MET   11   9.79 +/- 1.40   3.314% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    MET   11  20.68 +/- 4.68   0.554% *  0.1255% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    MET   11  27.43 +/- 7.87   0.658% *  0.1050% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    MET   11  21.01 +/- 6.60   0.696% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  29.86 +/- 5.73   0.140% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  34.65 +/- 6.17   0.078% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  25.15 +/- 4.94   0.219% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  32.97 +/- 7.20   0.094% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 47.7:
          HG2   MET   11 - HN    MET   11   3.76 +/- 0.68  89.054% * 97.3780% (0.92   3.31  47.76) =  99.941%  kept
          HB2   GLU-  14 - HN    MET   11  10.92 +/- 1.95   6.184% *  0.6025% (0.95   0.02   0.02) =   0.043%
          HB2   PRO   68 - HN    MET   11  20.93 +/- 6.06   1.156% *  0.3100% (0.49   0.02   0.02) =   0.004%
          HG2   PRO   58 - HN    MET   11  28.08 +/- 6.73   0.486% *  0.6243% (0.98   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    MET   11  33.72 +/- 7.31   0.416% *  0.6243% (0.98   0.02   0.02) =   0.003%
          QB    GLN   32 - HN    MET   11  17.82 +/- 4.09   1.280% *  0.1771% (0.28   0.02   0.02) =   0.003%
          HB    VAL   24 - HN    MET   11  22.30 +/- 6.20   1.008% *  0.1418% (0.22   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    MET   11  30.27 +/- 5.90   0.415% *  0.1418% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 47.7:
          HG3   MET   11 - HN    MET   11   3.33 +/- 0.52  91.758% * 98.0251% (0.92   3.31  47.76) =  99.968%  kept
          HB3   GLU-  14 - HN    MET   11  10.87 +/- 1.67   4.279% *  0.4901% (0.76   0.02   0.02) =   0.023%
          HB3   GLN   30 - HN    MET   11  19.20 +/- 3.58   1.144% *  0.2188% (0.34   0.02   0.02) =   0.003%
          HB3   PRO   58 - HN    MET   11  26.70 +/- 6.75   0.445% *  0.4405% (0.69   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    MET   11  20.82 +/- 5.46   1.328% *  0.1269% (0.20   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    MET   11  27.79 +/- 5.07   0.366% *  0.2875% (0.45   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    MET   11  34.64 +/- 5.92   0.171% *  0.3122% (0.49   0.02   0.02) =   0.001%
          HB2   LEU   40 - HN    MET   11  21.21 +/- 4.25   0.510% *  0.0989% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  18.52 +/- 3.16  30.622% * 22.9200% (1.00   0.02   0.02) =  45.980%  kept
          HD3   LYS+  74 - HN    MET   11  23.51 +/- 6.92  19.533% * 12.0587% (0.53   0.02   0.02) =  15.431%  kept
          QG    LYS+  81 - HN    MET   11  29.49 +/- 6.90   8.382% * 19.1444% (0.84   0.02   0.02) =  10.512%  kept
          HB3   LYS+ 121 - HN    MET   11  28.92 +/- 9.42  16.652% *  8.6021% (0.38   0.02   0.02) =   9.384%  kept
          HG2   LYS+ 106 - HN    MET   11  30.95 +/- 5.72   6.684% * 17.5161% (0.76   0.02   0.02) =   7.670%  kept
          HG    LEU  104 - HN    MET   11  26.95 +/- 5.95  13.301% *  8.6021% (0.38   0.02   0.02) =   7.496%  kept
          HB3   LYS+ 111 - HN    MET   11  34.34 +/- 6.90   4.826% * 11.1564% (0.49   0.02   0.02) =   3.527%  kept
    Distance limit 4.36 A violated in 19 structures by 10.90 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 = 11.9:
          HG2   MET   11 - HN    ALA   12   3.83 +/- 0.62  79.627% * 97.8348% (0.72   3.58  11.90) =  99.868%  kept
          HB2   GLU-  14 - HN    ALA   12   8.25 +/- 1.55  17.884% *  0.5459% (0.72   0.02   0.02) =   0.125%  kept
          HB2   PRO   68 - HN    ALA   12  19.57 +/- 5.07   1.283% *  0.1521% (0.20   0.02   0.02) =   0.003%
          HG2   PRO   58 - HN    ALA   12  27.11 +/- 5.49   0.337% *  0.5363% (0.71   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    ALA   12  32.78 +/- 5.79   0.177% *  0.5363% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  29.27 +/- 4.81   0.236% *  0.2249% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  30.31 +/- 5.89   0.249% *  0.0958% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  33.21 +/- 5.33   0.207% *  0.0740% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.29, residual support = 12.5:
      O   QB    ALA   12 - HN    ALA   12   2.51 +/- 0.34  88.170% * 99.1918% (0.68  10.0   2.29  12.47) =  99.991%  kept
          HG3   LYS+ 102 - HN    ALA   12  29.23 +/- 7.69   4.517% *  0.0840% (0.58   1.0   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    ALA   12  20.54 +/- 5.30   3.675% *  0.0470% (0.32   1.0   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ALA   12  22.10 +/- 4.73   0.904% *  0.0761% (0.52   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    ALA   12  20.46 +/- 6.13   0.567% *  0.0940% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   12  20.24 +/- 5.23   0.593% *  0.0876% (0.60   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   12  17.14 +/- 2.97   0.449% *  0.0992% (0.68   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   12  21.69 +/- 3.64   0.222% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  28.12 +/- 9.10   0.364% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  28.96 +/- 5.29   0.178% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  27.72 +/- 6.41   0.197% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  31.08 +/- 5.07   0.063% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  29.17 +/- 4.58   0.102% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.945, support = 1.76, residual support = 5.16:
          QB    ALA   12 - HN    SER   13   2.84 +/- 0.58  88.501% * 91.5357% (0.95   1.76   5.17) =  99.907%  kept
          HB3   LYS+  74 - HN    SER   13  18.30 +/- 4.99   3.479% *  0.4924% (0.45   0.02   0.02) =   0.021%
          HG3   LYS+  33 - HN    SER   13  14.81 +/- 2.89   1.233% *  1.0389% (0.95   0.02   0.02) =   0.016%
          HD3   LYS+ 121 - HN    SER   13  25.88 +/- 8.17   2.815% *  0.4515% (0.41   0.02   0.02) =   0.016%
          HB3   LEU   73 - HN    SER   13  17.88 +/- 5.02   1.157% *  0.9173% (0.84   0.02   0.02) =   0.013%
          HG3   LYS+  65 - HN    SER   13  18.50 +/- 5.51   0.684% *  0.9849% (0.90   0.02   0.02) =   0.008%
          HB    VAL   42 - HN    SER   13  19.26 +/- 2.80   0.493% *  0.9849% (0.90   0.02   0.02) =   0.006%
          QB    LEU   98 - HN    SER   13  19.91 +/- 3.90   0.522% *  0.7975% (0.73   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - HN    SER   13  27.05 +/- 6.29   0.321% *  0.8794% (0.80   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    SER   13  26.48 +/- 4.33   0.189% *  0.6661% (0.61   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    SER   13  29.01 +/- 4.73   0.157% *  0.7975% (0.73   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    SER   13  25.63 +/- 6.13   0.284% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  26.94 +/- 3.91   0.165% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.45, support = 2.46, residual support = 6.62:
          QB    SER   13 - HN    GLU-  14   3.21 +/- 0.67  93.343% * 95.5632% (0.45   2.46   6.63) =  99.932%  kept
          HB3   SER   37 - HN    GLU-  14  15.28 +/- 4.60   2.980% *  1.0026% (0.58   0.02   0.02) =   0.033%
          HB    THR   39 - HN    GLU-  14  15.65 +/- 4.20   2.496% *  0.8245% (0.48   0.02   0.02) =   0.023%
          HB    THR  118 - HN    GLU-  14  23.99 +/- 5.16   0.422% *  1.1977% (0.70   0.02   0.02) =   0.006%
          HA    ILE   89 - HN    GLU-  14  29.82 +/- 4.53   0.285% *  1.0026% (0.58   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    GLU-  14  28.60 +/- 6.85   0.474% *  0.4094% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.512, support = 3.67, residual support = 37.1:
          QG    GLU-  14 - HN    GLU-  14   3.51 +/- 0.78  55.192% * 66.6497% (0.53   4.02  45.21) =  81.408%  kept
          QG    GLU-  15 - HN    GLU-  14   5.16 +/- 1.11  28.823% * 28.4558% (0.42   2.16   1.63) =  18.151%  kept
          HB2   GLU-  29 - HN    GLU-  14  14.29 +/- 4.80   6.308% *  2.9402% (0.51   0.19   0.02) =   0.410%  kept
          QB    MET   11 - HN    GLU-  14   7.53 +/- 0.78   7.398% *  0.0859% (0.14   0.02   0.02) =   0.014%
          HB3   PHE   72 - HN    GLU-  14  15.76 +/- 2.70   0.906% *  0.3625% (0.58   0.02   0.02) =   0.007%
          HG12  ILE  119 - HN    GLU-  14  22.94 +/- 4.46   0.354% *  0.4301% (0.69   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    GLU-  14  20.72 +/- 2.79   0.378% *  0.3151% (0.51   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    GLU-  14  28.92 +/- 4.02   0.163% *  0.3892% (0.62   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  24.31 +/- 4.16   0.341% *  0.1082% (0.17   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    GLU-  14  30.69 +/- 4.11   0.137% *  0.2632% (0.42   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.89, residual support = 45.2:
      O   HB2   GLU-  14 - HN    GLU-  14   3.42 +/- 0.46  89.822% * 99.6047% (0.70  10.0   3.89  45.21) =  99.991%  kept
          HG2   MET   11 - HN    GLU-  14   9.24 +/- 1.19   6.408% *  0.0998% (0.70   1.0   0.02   0.02) =   0.007%
          HB2   PRO   68 - HN    GLU-  14  17.33 +/- 4.37   2.444% *  0.0278% (0.19   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU-  14  24.26 +/- 4.27   0.397% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  30.02 +/- 4.15   0.180% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.27 +/- 3.48   0.259% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  27.81 +/- 4.70   0.300% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.55 +/- 3.82   0.190% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.86, residual support = 45.2:
      O   HB3   GLU-  14 - HN    GLU-  14   3.24 +/- 0.43  93.372% * 99.6986% (0.62  10.0   3.86  45.21) =  99.994%  kept
          HG3   MET   11 - HN    GLU-  14   9.25 +/- 1.24   4.477% *  0.0807% (0.51   1.0   0.02   0.02) =   0.004%
          HB2   LEU   40 - HN    GLU-  14  16.52 +/- 2.73   1.103% *  0.0850% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    GLU-  14  22.90 +/- 4.06   0.838% *  0.1109% (0.70   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    GLU-  14  27.48 +/- 5.12   0.210% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.6, residual support = 85.7:
          QG    GLN   17 - HN    GLN   17   3.04 +/- 0.76  88.233% * 98.8359% (1.00   5.61  85.76) =  99.967%  kept
          HB    VAL   70 - HN    GLN   17  13.11 +/- 4.42   3.677% *  0.3464% (0.98   0.02   0.02) =   0.015%
          HB2   GLU-  25 - HN    GLN   17  15.78 +/- 3.82   2.796% *  0.3503% (0.99   0.02   0.02) =   0.011%
          HB2   MET   96 - HN    GLN   17  19.14 +/- 5.52   1.177% *  0.2286% (0.65   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    GLN   17  18.85 +/- 5.35   1.679% *  0.0787% (0.22   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    GLN   17  16.79 +/- 4.56   1.281% *  0.0983% (0.28   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLN   17  20.68 +/- 7.12   1.156% *  0.0619% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.41, residual support = 81.8:
      O   HB2   GLN   17 - HN    GLN   17   3.32 +/- 0.56  55.351% * 90.2325% (0.92  10.0   5.59  85.76) =  95.344%  kept
          QB    GLU-  15 - HN    GLN   17   4.34 +/- 0.51  30.354% *  7.6953% (0.92   1.0   1.71   0.02) =   4.459%  kept
          HB    ILE   19 - HN    GLN   17   7.49 +/- 0.89   5.920% *  1.6569% (0.80   1.0   0.42   0.02) =   0.187%  kept
          HB3   PRO   68 - HN    GLN   17  15.17 +/- 5.64   2.826% *  0.0553% (0.57   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    GLN   17  16.24 +/- 4.15   1.343% *  0.0975% (1.00   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    GLN   17  15.25 +/- 4.75   1.436% *  0.0710% (0.73   1.0   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    GLN   17  11.89 +/- 3.73   2.295% *  0.0218% (0.22   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLN   17  22.83 +/- 3.84   0.316% *  0.0848% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLN   17  27.44 +/- 4.10   0.159% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 85.7:
      O   HB3   GLN   17 - HN    GLN   17   3.08 +/- 0.39  67.681% * 99.6298% (0.98  10.0   5.27  85.76) =  99.971%  kept
          HB2   LEU   71 - HN    GLN   17  12.69 +/- 7.20  18.573% *  0.0777% (0.76   1.0   0.02   0.02) =   0.021%
          QB    LYS+  65 - HN    GLN   17  13.64 +/- 4.89   3.485% *  0.0738% (0.73   1.0   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    GLN   17  14.23 +/- 4.01   6.489% *  0.0178% (0.18   1.0   0.02   0.02) =   0.002%
          HB    VAL   43 - HN    GLN   17  18.08 +/- 6.50   2.378% *  0.0283% (0.28   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    GLN   17  20.25 +/- 4.97   0.436% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  18.07 +/- 4.45   0.542% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  24.32 +/- 5.14   0.206% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  26.05 +/- 6.91   0.209% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 2.21, residual support = 8.81:
          QB    GLU-  15 - HN    GLY   16   3.05 +/- 0.66  66.118% * 39.2742% (0.98   1.94   5.43) =  72.100%  kept
          HB2   GLN   17 - HN    GLY   16   5.60 +/- 0.64  17.108% * 58.5331% (0.98   2.89  17.60) =  27.805%  kept
          HB    ILE   19 - HN    GLY   16   8.80 +/- 1.15   4.116% *  0.2290% (0.55   0.02   0.02) =   0.026%
          HB3   PRO   68 - HN    GLY   16  15.93 +/- 5.87   2.772% *  0.3238% (0.78   0.02   0.02) =   0.025%
          HG3   GLN   30 - HN    GLY   16  12.63 +/- 4.03   2.757% *  0.1663% (0.40   0.02   0.02) =   0.013%
          HB3   GLU-  25 - HN    GLY   16  17.31 +/- 3.94   1.021% *  0.3826% (0.92   0.02   0.02) =   0.011%
          HG2   PRO   68 - HN    GLY   16  16.07 +/- 4.87   1.442% *  0.1969% (0.47   0.02   0.02) =   0.008%
          HB2   GLN   30 - HN    GLY   16  13.02 +/- 3.85   2.839% *  0.0708% (0.17   0.02   0.02) =   0.006%
          HB3   GLU- 100 - HN    GLY   16  19.58 +/- 6.55   1.126% *  0.0900% (0.22   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    GLY   16  23.71 +/- 4.21   0.249% *  0.2616% (0.63   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    GLY   16  28.59 +/- 4.40   0.123% *  0.4008% (0.97   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  21.50 +/- 3.93   0.329% *  0.0708% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.7, support = 5.8, residual support = 50.4:
          QG    GLN   17 - HN    VAL   18   3.34 +/- 0.76  84.845% * 98.7502% (0.70   5.81  50.42) =  99.955%  kept
          HB    VAL   70 - HN    VAL   18  12.06 +/- 4.93   4.966% *  0.3031% (0.62   0.02   0.02) =   0.018%
          HB2   GLU-  25 - HN    VAL   18  14.91 +/- 3.77   3.261% *  0.3913% (0.81   0.02   0.02) =   0.015%
          HB2   MET   96 - HN    VAL   18  17.75 +/- 5.52   3.341% *  0.1168% (0.24   0.02   0.02) =   0.005%
          HG3   GLU-  29 - HN    VAL   18  14.73 +/- 3.97   2.778% *  0.1168% (0.24   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HN    VAL   18  18.76 +/- 3.57   0.810% *  0.3218% (0.66   0.02   0.02) =   0.003%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 4.98, residual support = 76.0:
      O   HB    VAL   18 - HN    VAL   18   2.61 +/- 0.47  84.341% * 94.1623% (0.70  10.0   4.99  76.25) =  99.583%  kept
          HB    ILE   19 - HN    VAL   18   6.85 +/- 0.39   6.055% *  5.3558% (0.21   1.0   3.71  21.56) =   0.407%  kept
          HB2   LEU   67 - HN    VAL   18  12.58 +/- 6.11   4.442% *  0.1227% (0.91   1.0   0.02   0.02) =   0.007%
          HG2   PRO   68 - HN    VAL   18  14.45 +/- 5.04   3.569% *  0.0361% (0.27   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    VAL   18  18.55 +/- 4.53   0.434% *  0.1197% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  19.95 +/- 3.96   0.333% *  0.1227% (0.91   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    VAL   18  21.60 +/- 5.11   0.329% *  0.0581% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  20.90 +/- 4.14   0.498% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.339, support = 5.36, residual support = 49.4:
          HB3   GLN   17 - HN    VAL   18   3.55 +/- 0.71  63.763% * 85.4152% (0.33   5.47  50.42) =  97.951%  kept
          QB    LYS+  65 - HN    VAL   18  11.90 +/- 5.01   9.885% *  9.7381% (0.87   0.24   0.02) =   1.731%  kept
          HB2   LEU   71 - HN    VAL   18  12.97 +/- 6.79  11.251% *  0.7945% (0.84   0.02   0.02) =   0.161%  kept
          HB    VAL   41 - HN    VAL   18  15.49 +/- 5.89   7.475% *  0.5925% (0.62   0.02   0.02) =   0.080%
          QB    LYS+  66 - HN    VAL   18  12.87 +/- 4.13   2.757% *  0.7651% (0.81   0.02   0.02) =   0.038%
          QB    LYS+ 102 - HN    VAL   18  20.36 +/- 4.54   0.701% *  0.8840% (0.93   0.02   0.02) =   0.011%
          HG2   PRO   93 - HN    VAL   18  21.71 +/- 5.42   0.582% *  0.9079% (0.96   0.02   0.02) =   0.010%
          HG    LEU  123 - HN    VAL   18  19.40 +/- 5.80   2.218% *  0.2284% (0.24   0.02   0.02) =   0.009%
          HG12  ILE  103 - HN    VAL   18  20.01 +/- 4.95   0.945% *  0.4459% (0.47   0.02   0.02) =   0.008%
          HB3   PRO   52 - HN    VAL   18  23.20 +/- 4.64   0.424% *  0.2284% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.895, support = 5.18, residual support = 73.9:
          QG2   VAL   18 - HN    VAL   18   2.59 +/- 0.76  75.082% * 72.2670% (0.91   5.26  76.25) =  95.703%  kept
          QD1   ILE   19 - HN    VAL   18   5.88 +/- 1.01   9.036% * 26.6315% (0.51   3.48  21.56) =   4.244%  kept
          QG1   VAL   43 - HN    VAL   18  13.61 +/- 6.04   4.539% *  0.2901% (0.96   0.02   0.02) =   0.023%
          QG1   VAL   41 - HN    VAL   18  12.95 +/- 4.95   2.905% *  0.2684% (0.89   0.02   0.02) =   0.014%
          QD2   LEU   73 - HN    VAL   18  10.59 +/- 5.21   5.874% *  0.0725% (0.24   0.02   0.59) =   0.008%
          QG2   THR   46 - HN    VAL   18  14.79 +/- 5.39   1.166% *  0.2522% (0.84   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    VAL   18  14.17 +/- 2.86   0.874% *  0.1091% (0.36   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    VAL   18  16.38 +/- 3.72   0.525% *  0.1091% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.23, residual support = 5.76:
          QB    ALA   64 - HN    VAL   18   9.30 +/- 5.19  70.762% * 99.8601% (0.84   2.23   5.77) =  99.942%  kept
          QD1   LEU  115 - HN    VAL   18  15.64 +/- 2.87  29.238% *  0.1399% (0.13   0.02   0.02) =   0.058%
    Distance limit 4.33 A violated in 14 structures by 5.10 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.411, support = 4.08, residual support = 19.3:
          HN    PHE   59 - HN    PHE   60   2.67 +/- 0.17  57.823% * 55.5698% (0.44   4.31  20.10) =  87.834%  kept
          QE    PHE   59 - HN    THR  118   4.11 +/- 1.01  24.662% * 12.4489% (0.16   2.67  12.17) =   8.392%  kept
          QE    PHE   59 - HN    PHE   60   5.97 +/- 0.69   6.055% * 15.2919% (0.28   1.85  20.10) =   2.531%  kept
          HN    HIS  122 - HN    THR  118   7.09 +/- 0.21   3.215% * 10.7883% (0.21   1.75   4.16) =   0.948%  kept
          HN    PHE   59 - HN    THR  118   8.69 +/- 1.76   2.890% *  3.3995% (0.25   0.47  12.17) =   0.269%  kept
          HH2   TRP   87 - HN    GLU-  15  23.46 +/- 6.88   0.652% *  0.4238% (0.73   0.02   0.02) =   0.008%
          HN    HIS  122 - HN    PHE   60  11.69 +/- 1.24   0.787% *  0.2181% (0.37   0.02   0.02) =   0.005%
          HN    HIS  122 - HN    GLU-  15  22.06 +/- 6.02   0.306% *  0.4673% (0.80   0.02   0.02) =   0.004%
          HN    PHE   59 - HN    GLU-  15  21.61 +/- 2.70   0.139% *  0.5520% (0.95   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    PHE   60   9.23 +/- 0.96   1.590% *  0.0477% (0.08   0.02   0.02) =   0.002%
          QE    PHE   59 - HN    GLU-  15  19.53 +/- 2.98   0.197% *  0.3540% (0.61   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    GLU-  15  16.95 +/- 3.67   0.472% *  0.1022% (0.18   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  18.14 +/- 2.78   0.240% *  0.1978% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  19.20 +/- 4.20   0.308% *  0.1118% (0.19   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    THR  118  14.54 +/- 2.43   0.665% *  0.0270% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.26, residual support = 41.6:
          HN    ALA   61 - HN    PHE   60   2.76 +/- 0.24  89.896% * 95.0115% (0.47   5.26  41.59) =  99.967%  kept
          HN    TRP   27 - HN    GLU-  15  14.63 +/- 3.35   1.122% *  0.5913% (0.76   0.02   0.02) =   0.008%
          HE3   TRP   87 - HN    GLU-  15  25.85 +/- 6.11   0.505% *  0.6711% (0.87   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    THR  118  11.48 +/- 1.50   1.506% *  0.2040% (0.26   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    GLU-  15  18.99 +/- 3.07   0.366% *  0.7737% (1.00   0.02   0.02) =   0.003%
          HN    THR   39 - HN    GLU-  15  14.87 +/- 4.55   1.648% *  0.1531% (0.20   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    PHE   60  18.76 +/- 3.97   0.825% *  0.2759% (0.36   0.02   0.02) =   0.003%
          HN    ALA   91 - HN    PHE   60  17.72 +/- 2.67   0.481% *  0.3579% (0.46   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    PHE   60  18.15 +/- 2.95   0.473% *  0.3132% (0.40   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    GLU-  15  25.75 +/- 6.65   0.773% *  0.1355% (0.18   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  18.72 +/- 3.64   0.484% *  0.1770% (0.23   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  29.49 +/- 5.16   0.111% *  0.7668% (0.99   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR  118  19.64 +/- 1.36   0.299% *  0.2022% (0.26   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    THR  118  22.55 +/- 5.48   0.375% *  0.1559% (0.20   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    PHE   60  18.31 +/- 2.09   0.355% *  0.0632% (0.08   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  19.93 +/- 1.92   0.288% *  0.0715% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  20.04 +/- 2.19   0.280% *  0.0357% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  22.38 +/- 3.38   0.212% *  0.0404% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.92, residual support = 72.7:
      O   HB3   PHE   60 - HN    PHE   60   2.46 +/- 0.58  85.510% * 98.9222% (0.47  10.0   4.92  72.70) =  99.990%  kept
          HB2   PHE   97 - HN    PHE   60  12.67 +/- 2.78   2.413% *  0.0520% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    PHE   60  16.52 +/- 3.74   2.033% *  0.0482% (0.23   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    THR  118  11.18 +/- 2.04   1.595% *  0.0559% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  14.98 +/- 2.66   0.842% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  19.58 +/- 2.63   0.357% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    PHE   60  14.88 +/- 1.90   0.786% *  0.0936% (0.44   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118  10.87 +/- 3.42   2.429% *  0.0294% (0.14   1.0   0.02   1.92) =   0.001%
          QE    LYS+ 106 - HN    THR  118  12.12 +/- 2.98   1.291% *  0.0529% (0.25   1.0   0.02   3.05) =   0.001%
          HB2   ASN   35 - HN    GLU-  15  16.40 +/- 4.93   1.217% *  0.0529% (0.25   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    GLU-  15  23.24 +/- 3.85   0.310% *  0.2005% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    GLU-  15  20.90 +/- 3.40   0.328% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  20.22 +/- 5.01   0.572% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.60 +/- 2.65   0.200% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  25.51 +/- 3.27   0.117% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 4.03, residual support = 20.1:
          HB3   PHE   59 - HN    PHE   60   2.85 +/- 0.58  87.177% * 96.9847% (0.39   4.03  20.10) =  99.947%  kept
          HB3   PHE   59 - HN    THR  118   7.49 +/- 1.44   7.930% *  0.2721% (0.22   0.02  12.17) =   0.026%
          HB3   TRP   49 - HN    PHE   60  15.76 +/- 2.90   3.883% *  0.4616% (0.37   0.02   0.02) =   0.021%
          HB3   PHE   59 - HN    GLU-  15  21.75 +/- 2.20   0.262% *  1.0317% (0.84   0.02   0.02) =   0.003%
          HB3   TRP   49 - HN    THR  118  19.91 +/- 3.34   0.605% *  0.2608% (0.21   0.02   0.02) =   0.002%
          HB3   TRP   49 - HN    GLU-  15  29.35 +/- 5.87   0.143% *  0.9891% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.74, residual support = 5.06:
        T HN    SER  117 - HN    THR  118   2.75 +/- 0.17  96.154% * 97.7507% (0.17 10.00   2.74   5.06) =  99.952%  kept
        T HN    SER  117 - HN    PHE   60  10.10 +/- 1.41   2.443% *  1.7701% (0.30 10.00   0.02   0.02) =   0.046%
          HN    GLY   16 - HN    PHE   60  19.09 +/- 3.55   0.627% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    THR  118  22.54 +/- 4.62   0.327% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.37 +/- 2.82   0.230% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  25.22 +/- 2.81   0.219% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.132, support = 4.47, residual support = 40.3:
          QG2   THR  118 - HN    THR  118   3.56 +/- 0.16  84.301% * 84.3319% (0.13   4.61  41.68) =  96.656%  kept
          QG2   THR  118 - HN    PHE   60   7.61 +/- 2.05  15.699% * 15.6681% (0.23   0.47   0.02) =   3.344%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.163, support = 4.51, residual support = 61.6:
      O   HA    PHE   60 - HN    PHE   60   2.78 +/- 0.11  23.344% * 78.4468% (0.22  10.0   4.92  72.70) =  66.195%  kept
      O   HB    THR  118 - HN    THR  118   2.18 +/- 0.18  47.871% * 18.6188% (0.05  10.0   3.73  41.68) =  32.219%  kept
          QB    SER  117 - HN    THR  118   2.73 +/- 0.31  26.178% *  1.6079% (0.03   1.0   3.11   5.06) =   1.522%  kept
          HB    THR  118 - HN    PHE   60   8.72 +/- 1.93   1.384% *  1.2645% (0.09   1.0   0.75   0.02) =   0.063%
          HA    PHE   60 - HN    THR  118  10.05 +/- 1.72   0.686% *  0.0433% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  10.65 +/- 1.50   0.538% *  0.0187% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 4.6, residual support = 42.1:
      O   HA    THR  118 - HN    THR  118   2.85 +/- 0.04  58.275% * 70.9261% (0.14  10.0   4.58  41.68) =  93.255%  kept
          HA    ILE  119 - HN    THR  118   5.04 +/- 0.12  10.628% * 22.8379% (0.17   1.0   5.49  59.45) =   5.476%  kept
          HD3   PRO   58 - HN    PHE   60   4.26 +/- 0.57  19.505% *  2.5303% (0.06   1.0   1.72   0.02) =   1.114%  kept
          HA    ILE  119 - HN    PHE   60   8.70 +/- 1.08   2.309% *  2.3701% (0.30   1.0   0.31   0.02) =   0.123%  kept
          HA    THR  118 - HN    PHE   60  11.02 +/- 1.66   1.328% *  0.7178% (0.26   1.0   0.11   0.02) =   0.022%
          HB2   TRP   49 - HN    PHE   60  15.37 +/- 2.59   1.359% *  0.1404% (0.28   1.0   0.02   0.02) =   0.004%
          HA2   GLY  109 - HN    THR  118  10.83 +/- 2.38   2.173% *  0.0416% (0.08   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    PHE   60  13.66 +/- 2.65   0.690% *  0.0631% (0.13   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    PHE   60  14.59 +/- 2.04   0.546% *  0.0753% (0.15   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  10.01 +/- 2.00   2.286% *  0.0163% (0.03   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  18.80 +/- 2.22   0.228% *  0.1087% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    THR  118  19.52 +/- 3.38   0.258% *  0.0775% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  20.99 +/- 1.62   0.158% *  0.0600% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  18.40 +/- 2.19   0.257% *  0.0348% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.0, residual support = 20.1:
      O   HA    PHE   59 - HN    PHE   60   3.52 +/- 0.16  52.204% * 98.9248% (0.99  10.0   4.01  20.10) =  99.780%  kept
          HA    ILE   56 - HN    PHE   60   5.51 +/- 0.86  17.132% *  0.5737% (0.15   1.0   0.75   4.15) =   0.190%  kept
          HA    PHE   59 - HN    THR  118   7.77 +/- 1.79  11.194% *  0.0797% (0.80   1.0   0.02  12.17) =   0.017%
          HA    ASP- 113 - HN    THR  118   7.24 +/- 0.78   6.955% *  0.0485% (0.48   1.0   0.02   0.02) =   0.007%
          HA    ASP- 113 - HN    PHE   60  10.86 +/- 2.05   2.727% *  0.0601% (0.60   1.0   0.02   0.02) =   0.003%
          HA    ILE   56 - HN    THR  118  10.26 +/- 2.03   2.721% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    PHE   60  20.00 +/- 2.91   0.439% *  0.0601% (0.60   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  15  18.24 +/- 4.73   2.117% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  27.92 +/- 6.49   0.844% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  20.58 +/- 3.16   0.341% *  0.0485% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  17.46 +/- 2.56   0.515% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  20.34 +/- 2.61   0.322% *  0.0393% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  17.92 +/- 3.29   0.560% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  15.91 +/- 4.66   1.150% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  22.27 +/- 2.47   0.235% *  0.0174% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  27.92 +/- 4.27   0.151% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  24.25 +/- 3.25   0.213% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  24.31 +/- 2.79   0.180% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 4.82, residual support = 68.8:
      O   HA    PHE   60 - HN    PHE   60   2.78 +/- 0.11  44.715% * 94.2212% (0.96  10.0   4.92  72.70) =  94.164%  kept
          QB    SER  117 - HN    THR  118   2.73 +/- 0.31  47.523% *  5.4895% (0.36   1.0   3.11   5.06) =   5.831%  kept
          HA    PHE   60 - HN    THR  118  10.05 +/- 1.72   1.338% *  0.0759% (0.77   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    PHE   60  10.65 +/- 1.50   1.064% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    THR  118   7.75 +/- 0.35   2.184% *  0.0138% (0.14   1.0   0.02   6.20) =   0.001%
          HA2   GLY   51 - HN    PHE   60  13.30 +/- 1.16   0.453% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  12.34 +/- 1.96   0.648% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.22 +/- 1.23   0.354% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  19.03 +/- 1.94   0.161% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.19 +/- 1.35   0.458% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.56 +/- 7.19   0.579% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  18.23 +/- 2.16   0.199% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  23.53 +/- 4.88   0.155% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.95 +/- 4.38   0.116% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  28.38 +/- 4.34   0.054% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (2.26, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.546, support = 3.94, residual support = 32.4:
          HG12  ILE  119 - HN    THR  118   4.60 +/- 0.72  14.004% * 54.7225% (0.72   5.41  59.45) =  49.373%  kept
          QG    GLU-  15 - HN    GLU-  15   3.36 +/- 0.53  31.016% * 12.2602% (0.32   2.75  10.44) =  24.500%  kept
          QG    GLU-  14 - HN    GLU-  15   3.67 +/- 0.53  25.084% * 13.5990% (0.36   2.65   1.63) =  21.978%  kept
          HG12  ILE  119 - HN    PHE   60   6.89 +/- 1.00   3.925% *  6.9747% (0.89   0.56   0.02) =   1.764%  kept
          HB3   PHE   72 - HN    PHE   60  11.30 +/- 3.18   4.917% *  4.0295% (0.96   0.30   5.72) =   1.276%  kept
          HB2   ASP-  44 - HN    PHE   60   8.50 +/- 2.03   2.642% *  4.2171% (0.89   0.34   2.27) =   0.718%  kept
          HB2   ASP- 105 - HN    THR  118   8.81 +/- 3.55   3.957% *  1.1451% (0.11   0.75   5.42) =   0.292%  kept
          HB3   PHE   72 - HN    THR  118  15.32 +/- 4.07   1.607% *  0.2178% (0.77   0.02   0.02) =   0.023%
          HB2   GLU-  29 - HN    GLU-  15  13.41 +/- 4.75   4.131% *  0.0586% (0.21   0.02   0.02) =   0.016%
          HG3   MET   92 - HN    PHE   60  14.94 +/- 2.97   1.777% *  0.1151% (0.41   0.02   0.02) =   0.013%
          HB2   ASP-  44 - HN    THR  118  12.67 +/- 1.97   0.758% *  0.2024% (0.72   0.02   0.02) =   0.010%
          QB    MET   11 - HN    GLU-  15   9.58 +/- 1.64   2.068% *  0.0380% (0.13   0.02   0.02) =   0.005%
          HB3   PHE   72 - HN    GLU-  15  14.65 +/- 3.97   0.646% *  0.1075% (0.38   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    PHE   60  18.66 +/- 2.65   0.228% *  0.2775% (0.98   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    PHE   60  19.30 +/- 2.83   0.188% *  0.2584% (0.91   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    PHE   60  19.10 +/- 2.33   0.197% *  0.2242% (0.79   0.02   0.02) =   0.003%
          HG3   MET   92 - HN    THR  118  15.84 +/- 2.24   0.453% *  0.0928% (0.33   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    THR  118  22.12 +/- 4.45   0.168% *  0.1807% (0.64   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    THR  118  20.60 +/- 1.07   0.135% *  0.2236% (0.79   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    PHE   60  12.78 +/- 2.75   0.772% *  0.0379% (0.13   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    THR  118  23.00 +/- 4.65   0.139% *  0.2083% (0.74   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    PHE   60  22.12 +/- 3.49   0.153% *  0.1473% (0.52   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    GLU-  15  19.55 +/- 3.67   0.201% *  0.0999% (0.35   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR  118  25.49 +/- 5.23   0.155% *  0.1187% (0.42   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   60  22.26 +/- 4.54   0.173% *  0.0955% (0.34   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  21.79 +/- 3.52   0.140% *  0.0999% (0.35   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  27.81 +/- 5.10   0.079% *  0.1104% (0.39   0.02   0.02) =   0.001%
          QB    MET   11 - HN    THR  118  26.31 +/- 6.55   0.112% *  0.0770% (0.27   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    GLU-  15  29.34 +/- 4.74   0.057% *  0.0458% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.11 +/- 3.25   0.118% *  0.0151% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.158, support = 1.69, residual support = 8.83:
      O   QB    GLU-  15 - HN    GLU-  15   3.00 +/- 0.38  41.709% * 43.6527% (0.06  10.0   1.85  10.44) =  84.432%  kept
          HG3   PRO   58 - HN    PHE   60   6.21 +/- 0.42   5.334% * 30.9119% (0.89   1.0   0.90   0.02) =   7.646%  kept
          QB    GLU- 114 - HN    THR  118   5.66 +/- 0.89   9.030% * 15.7340% (0.48   1.0   0.84   0.11) =   6.588%  kept
          HB2   LEU  115 - HN    THR  118   5.77 +/- 0.30   6.585% *  2.3885% (0.69   1.0   0.09   0.02) =   0.729%  kept
          HB2   GLN   17 - HN    GLU-  15   5.57 +/- 1.25  11.979% *  0.2936% (0.06   1.0   0.12   0.02) =   0.163%  kept
          HB2   LEU  115 - HN    PHE   60   7.56 +/- 1.69   4.050% *  0.6669% (0.86   1.0   0.02   0.02) =   0.125%  kept
          HG3   PRO   58 - HN    THR  118  10.78 +/- 2.82   4.806% *  0.5557% (0.72   1.0   0.02   0.02) =   0.124%  kept
          HB    ILE   19 - HN    GLU-  15   8.78 +/- 2.32   4.321% *  0.2100% (0.27   1.0   0.02   0.02) =   0.042%
          QB    GLU- 114 - HN    PHE   60  10.61 +/- 1.94   1.485% *  0.4663% (0.60   1.0   0.02   0.02) =   0.032%
          HG2   PRO   68 - HN    PHE   60  13.36 +/- 2.76   0.796% *  0.5876% (0.76   1.0   0.02   0.02) =   0.022%
          HB2   LEU   67 - HN    PHE   60  12.29 +/- 1.72   0.854% *  0.3742% (0.48   1.0   0.02   0.02) =   0.015%
          HG2   PRO   68 - HN    THR  118  17.09 +/- 3.72   0.576% *  0.4735% (0.61   1.0   0.02   0.02) =   0.013%
          HB    ILE   19 - HN    PHE   60  15.98 +/- 2.77   0.501% *  0.5281% (0.68   1.0   0.02   0.02) =   0.012%
          HB    ILE   19 - HN    THR  118  20.08 +/- 4.24   0.360% *  0.4256% (0.55   1.0   0.02   0.02) =   0.007%
          HB    VAL   18 - HN    PHE   60  14.68 +/- 4.39   0.679% *  0.1917% (0.25   1.0   0.02   0.02) =   0.006%
          HB    VAL   18 - HN    GLU-  15   9.63 +/- 1.29   1.564% *  0.0762% (0.10   1.0   0.02   0.02) =   0.006%
          HB3   GLU-  25 - HN    GLU-  15  16.53 +/- 5.10   1.276% *  0.0850% (0.11   1.0   0.02   0.02) =   0.005%
          HB    VAL   18 - HN    THR  118  18.83 +/- 5.11   0.688% *  0.1545% (0.20   1.0   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    GLU-  15  16.95 +/- 3.94   0.446% *  0.2337% (0.30   1.0   0.02   0.02) =   0.005%
          HB2   LEU   67 - HN    THR  118  16.69 +/- 3.07   0.343% *  0.3016% (0.39   1.0   0.02   0.02) =   0.005%
          HB2   LEU   67 - HN    GLU-  15  15.88 +/- 3.92   0.525% *  0.1488% (0.19   1.0   0.02   0.02) =   0.004%
          HB2   GLN   17 - HN    THR  118  21.38 +/- 4.75   0.539% *  0.0956% (0.12   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    THR  118  26.80 +/- 6.48   0.269% *  0.1723% (0.22   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    PHE   60  22.90 +/- 4.59   0.204% *  0.2138% (0.28   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    PHE   60  16.94 +/- 2.83   0.311% *  0.1186% (0.15   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLU-  15  23.47 +/- 3.68   0.134% *  0.2742% (0.35   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    PHE   60  18.78 +/- 2.35   0.245% *  0.1186% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    GLU-  15  24.74 +/- 3.23   0.097% *  0.2652% (0.34   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  24.99 +/- 3.96   0.109% *  0.1855% (0.24   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    THR  118  21.94 +/- 4.20   0.185% *  0.0956% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.105, support = 2.07, residual support = 4.01:
          QG1   ILE   56 - HN    PHE   60   3.60 +/- 0.74  48.354% * 44.7782% (0.09   2.15   4.15) =  96.333%  kept
          HB2   LEU   73 - HN    PHE   60  13.28 +/- 4.20   6.382% *  2.0303% (0.45   0.02   1.55) =   0.576%  kept
          HB2   LEU   73 - HN    GLU-  15  16.14 +/- 6.25   2.119% *  4.3502% (0.97   0.02   0.02) =   0.410%  kept
          HB3   MET   92 - HN    PHE   60  14.17 +/- 3.22   3.909% *  2.1037% (0.47   0.02   0.02) =   0.366%  kept
          HG3   PRO   93 - HN    PHE   60  11.74 +/- 3.39   3.953% *  1.6077% (0.36   0.02   0.02) =   0.283%  kept
          HB2   LEU  123 - HN    GLU-  15  23.77 +/- 7.17   1.438% *  3.6094% (0.80   0.02   0.02) =   0.231%  kept
          QD    LYS+  99 - HN    GLU-  15  16.55 +/- 4.12   1.130% *  3.6094% (0.80   0.02   0.02) =   0.181%  kept
          HB2   LEU  123 - HN    THR  118   9.07 +/- 0.92   3.990% *  0.9519% (0.21   0.02   0.02) =   0.169%  kept
          HB2   LEU   73 - HN    THR  118  17.98 +/- 5.23   2.825% *  1.1473% (0.25   0.02   0.02) =   0.144%  kept
          QD    LYS+ 102 - HN    GLU-  15  22.63 +/- 5.40   1.239% *  2.5520% (0.57   0.02   0.02) =   0.141%  kept
          HD2   LYS+ 111 - HN    PHE   60  14.48 +/- 2.13   1.411% *  2.0621% (0.46   0.02   0.02) =   0.129%  kept
          QD    LYS+ 106 - HN    THR  118  11.50 +/- 2.73   2.854% *  0.9930% (0.22   0.02   3.05) =   0.126%  kept
          HD2   LYS+ 111 - HN    THR  118  11.30 +/- 1.29   2.244% *  1.1653% (0.26   0.02   0.02) =   0.116%  kept
          QD    LYS+ 106 - HN    GLU-  15  22.63 +/- 3.79   0.621% *  3.7651% (0.84   0.02   0.02) =   0.104%  kept
          QD    LYS+ 106 - HN    PHE   60  14.15 +/- 1.93   1.210% *  1.7572% (0.39   0.02   0.02) =   0.095%
          HB2   LEU  123 - HN    PHE   60  13.40 +/- 1.48   1.246% *  1.6845% (0.37   0.02   0.02) =   0.093%
          QG1   ILE   56 - HN    THR  118   8.05 +/- 1.24   7.112% *  0.2353% (0.05   0.02   0.02) =   0.074%
          HG3   PRO   93 - HN    THR  118  13.97 +/- 2.14   1.509% *  0.9085% (0.20   0.02   0.02) =   0.061%
          QD    LYS+  99 - HN    PHE   60  15.93 +/- 3.08   0.813% *  1.6845% (0.37   0.02   0.02) =   0.061%
          QD    LYS+  38 - HN    GLU-  15  15.51 +/- 4.24   1.201% *  1.0036% (0.22   0.02   0.02) =   0.054%
          HB3   MET   92 - HN    THR  118  15.07 +/- 1.57   0.900% *  1.1888% (0.26   0.02   0.02) =   0.048%
          HB3   MET   92 - HN    GLU-  15  28.46 +/- 4.85   0.226% *  4.5076% (1.00   0.02   0.02) =   0.045%
          QD    LYS+  99 - HN    THR  118  15.84 +/- 2.98   0.994% *  0.9519% (0.21   0.02   0.02) =   0.042%
          HG3   PRO   93 - HN    GLU-  15  26.75 +/- 4.47   0.194% *  3.4449% (0.76   0.02   0.02) =   0.030%
          HD2   LYS+ 111 - HN    GLU-  15  30.60 +/- 3.98   0.135% *  4.4184% (0.98   0.02   0.02) =   0.026%
          QD    LYS+ 102 - HN    PHE   60  20.58 +/- 2.52   0.343% *  1.1910% (0.26   0.02   0.02) =   0.018%
          QD    LYS+ 102 - HN    THR  118  18.49 +/- 3.60   0.591% *  0.6731% (0.15   0.02   0.02) =   0.018%
          QG1   ILE   56 - HN    GLU-  15  20.54 +/- 1.95   0.321% *  0.8921% (0.20   0.02   0.02) =   0.013%
          QD    LYS+  38 - HN    PHE   60  20.29 +/- 2.40   0.347% *  0.4684% (0.10   0.02   0.02) =   0.007%
          QD    LYS+  38 - HN    THR  118  21.85 +/- 3.43   0.392% *  0.2647% (0.06   0.02   0.02) =   0.005%
    Distance limit 4.32 A violated in 0 structures by 0.05 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   4.29 +/- 0.24  30.678% * 72.7568% (0.25   2.69  41.59) =  97.461%  kept
          HG12  ILE   19 - HN    GLU-  15   8.16 +/- 2.44  10.775% *  1.8415% (0.84   0.02   0.02) =   0.866%  kept
          QB    ALA   12 - HN    GLU-  15   7.34 +/- 1.06   7.849% *  0.8274% (0.38   0.02   0.02) =   0.284%  kept
          HD3   LYS+ 121 - HN    THR  118   7.86 +/- 1.62   8.086% *  0.5367% (0.24   0.02   6.20) =   0.189%  kept
          HB3   LYS+  74 - HN    PHE   60  12.16 +/- 4.00   4.618% *  0.9228% (0.42   0.02   0.02) =   0.186%  kept
          QB    ALA  110 - HN    THR  118   9.34 +/- 2.24   7.662% *  0.4443% (0.20   0.02   0.02) =   0.149%  kept
          QB    ALA  110 - HN    PHE   60  11.31 +/- 2.16   2.674% *  0.7863% (0.36   0.02   0.02) =   0.092%
          QB    LEU   98 - HN    GLU-  15  17.72 +/- 4.40   1.322% *  1.4262% (0.65   0.02   0.02) =   0.082%
          HB3   LYS+  74 - HN    GLU-  15  17.06 +/- 4.66   0.948% *  1.9772% (0.90   0.02   0.02) =   0.082%
          QB    ALA   61 - HN    GLU-  15  15.32 +/- 3.50   1.322% *  1.1599% (0.53   0.02   0.02) =   0.067%
          HD3   LYS+ 121 - HN    GLU-  15  23.42 +/- 6.39   0.674% *  2.0351% (0.92   0.02   0.02) =   0.060%
          HD3   LYS+ 121 - HN    PHE   60  13.79 +/- 1.59   1.068% *  0.9498% (0.43   0.02   0.02) =   0.044%
          QG    LYS+  66 - HN    PHE   60   9.29 +/- 1.74   4.141% *  0.2291% (0.10   0.02   0.02) =   0.041%
          HB2   LEU   80 - HN    GLU-  15  24.19 +/- 7.30   0.416% *  2.1851% (0.99   0.02   0.02) =   0.040%
          HG    LEU   80 - HN    GLU-  15  23.29 +/- 8.17   0.507% *  1.6009% (0.73   0.02   0.02) =   0.035%
          HB3   LEU   67 - HN    GLU-  15  15.84 +/- 3.87   0.952% *  0.8274% (0.38   0.02   0.02) =   0.034%
          HG12  ILE   19 - HN    PHE   60  16.22 +/- 3.12   0.870% *  0.8594% (0.39   0.02   0.02) =   0.033%
          HB3   LEU   67 - HN    PHE   60  12.23 +/- 2.22   1.821% *  0.3862% (0.18   0.02   0.02) =   0.031%
          QB    ALA   61 - HN    THR  118  11.01 +/- 1.49   2.266% *  0.3059% (0.14   0.02   0.02) =   0.030%
          QB    LEU   98 - HN    PHE   60  14.55 +/- 1.74   1.016% *  0.6656% (0.30   0.02   0.02) =   0.030%
          QG    LYS+  66 - HN    GLU-  15  16.22 +/- 3.44   1.150% *  0.4908% (0.22   0.02   0.02) =   0.025%
          QG    LYS+  66 - HN    THR  118  13.59 +/- 3.65   4.033% *  0.1294% (0.06   0.02   0.02) =   0.023%
          HB2   LEU   80 - HN    PHE   60  19.08 +/- 2.73   0.436% *  1.0198% (0.46   0.02   0.02) =   0.019%
          QB    LEU   98 - HN    THR  118  14.59 +/- 2.70   0.992% *  0.3761% (0.17   0.02   0.02) =   0.016%
          HB3   LYS+  74 - HN    THR  118  18.16 +/- 3.76   0.699% *  0.5214% (0.24   0.02   0.02) =   0.016%
          HG    LEU   80 - HN    PHE   60  19.40 +/- 3.33   0.427% *  0.7471% (0.34   0.02   0.02) =   0.014%
          QB    ALA  110 - HN    GLU-  15  25.16 +/- 2.99   0.172% *  1.6848% (0.76   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    THR  118  19.99 +/- 3.95   0.475% *  0.4857% (0.22   0.02   0.02) =   0.010%
          QB    ALA   12 - HN    PHE   60  19.63 +/- 3.84   0.425% *  0.3862% (0.18   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    THR  118  16.81 +/- 3.48   0.702% *  0.2182% (0.10   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    THR  118  22.58 +/- 2.62   0.255% *  0.5763% (0.26   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    THR  118  23.30 +/- 2.93   0.232% *  0.4222% (0.19   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    THR  118  23.45 +/- 5.62   0.337% *  0.2182% (0.10   0.02   0.02) =   0.003%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 3.69, residual support = 25.1:
      O   QB    ALA   34 - HN    ALA   34   2.06 +/- 0.07  83.229% * 97.8420% (0.89  10.0   3.70  25.14) =  99.898%  kept
          QG2   THR   77 - HN    LEU   80   5.75 +/- 1.25   5.301% *  1.4671% (0.20   1.0   1.35   0.59) =   0.095%
          QG2   THR   23 - HN    LEU   80  13.00 +/- 7.17   1.948% *  0.0969% (0.89   1.0   0.02   0.77) =   0.002%
          QG2   THR   39 - HN    ALA   34   6.24 +/- 1.41   6.152% *  0.0303% (0.28   1.0   0.02   4.76) =   0.002%
          HG3   LYS+  38 - HN    ALA   34   9.12 +/- 0.68   1.085% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.74 +/- 1.34   0.395% *  0.1081% (0.99   1.0   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    LEU   80  16.92 +/- 3.50   0.333% *  0.0710% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  10.54 +/- 1.48   0.767% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.14 +/- 3.10   0.226% *  0.0876% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.55 +/- 2.18   0.094% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  17.57 +/- 2.41   0.171% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.38 +/- 2.14   0.161% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.31 +/- 2.47   0.089% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  25.65 +/- 2.41   0.048% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.56, support = 3.56, residual support = 25.7:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  71.173% * 77.6923% (0.56  10.0   3.50  25.14) =  95.427%  kept
          HA    LYS+  81 - HN    LEU   80   4.71 +/- 0.36  14.992% * 16.2724% (0.47   1.0   5.03  39.52) =   4.210%  kept
          HA    GLU-  36 - HN    ALA   34   7.06 +/- 0.12   4.215% *  4.7976% (0.41   1.0   1.70   0.32) =   0.349%  kept
          HA    ASN   28 - HN    ALA   34   7.68 +/- 0.33   3.346% *  0.1049% (0.76   1.0   0.02   0.02) =   0.006%
          HA1   GLY  101 - HN    ALA   34  11.49 +/- 3.65   2.919% *  0.0515% (0.37   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    LEU   80  16.19 +/- 6.61   0.933% *  0.0939% (0.68   1.0   0.02   1.20) =   0.002%
          HA    ALA  124 - HN    ALA   34  25.88 +/- 8.34   0.368% *  0.1267% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  19.74 +/- 4.18   0.330% *  0.1205% (0.88   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   80  20.30 +/- 3.09   0.340% *  0.0893% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ALA   34  22.62 +/- 2.80   0.158% *  0.0996% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.67 +/- 4.63   0.312% *  0.0461% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.85 +/- 3.70   0.200% *  0.0696% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.37 +/- 2.95   0.094% *  0.1345% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.85 +/- 4.64   0.165% *  0.0722% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.49 +/- 3.58   0.055% *  0.1135% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.52 +/- 3.28   0.193% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.84 +/- 3.50   0.098% *  0.0505% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.09 +/- 3.30   0.106% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.959, support = 7.2, residual support = 39.6:
      O   HA    LYS+  33 - HN    ALA   34   3.57 +/- 0.04  39.801% * 88.3530% (0.99  10.0   7.36  41.71) =  94.853%  kept
          HA    GLN   32 - HN    ALA   34   4.38 +/- 0.31  21.973% *  7.3300% (0.34   1.0   4.82   0.67) =   4.344%  kept
          HB2   SER   82 - HN    LEU   80   7.20 +/- 1.10   8.897% *  2.1119% (0.85   1.0   0.56   0.48) =   0.507%  kept
          HA    GLU-  29 - HN    ALA   34   6.70 +/- 0.90   6.789% *  0.8763% (0.99   1.0   0.20   0.02) =   0.160%  kept
          HB2   SER   37 - HN    ALA   34   6.35 +/- 1.33  10.561% *  0.4093% (0.17   1.0   0.52   0.89) =   0.117%  kept
          HA    VAL   70 - HN    ALA   34  10.70 +/- 2.47   3.265% *  0.0714% (0.80   1.0   0.02   0.02) =   0.006%
          HA    VAL   18 - HN    ALA   34  13.19 +/- 3.71   1.293% *  0.0874% (0.98   1.0   0.02   0.02) =   0.003%
          HA    SER   48 - HN    LEU   80  13.38 +/- 3.65   1.869% *  0.0484% (0.54   1.0   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    LEU   80  20.07 +/- 8.80   0.812% *  0.0783% (0.88   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    LEU   80  11.68 +/- 0.71   1.187% *  0.0300% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  19.99 +/- 6.72   0.436% *  0.0791% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  21.03 +/- 7.10   0.397% *  0.0843% (0.94   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  19.00 +/- 2.05   0.314% *  0.0639% (0.72   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  22.78 +/- 4.90   0.204% *  0.0791% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  23.76 +/- 3.81   0.217% *  0.0714% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  17.81 +/- 4.50   0.934% *  0.0158% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  22.79 +/- 3.38   0.210% *  0.0639% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  21.41 +/- 5.36   0.282% *  0.0272% (0.30   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.96 +/- 3.28   0.119% *  0.0541% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  24.12 +/- 3.70   0.156% *  0.0335% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  22.50 +/- 3.03   0.189% *  0.0140% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.03 +/- 3.09   0.096% *  0.0176% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.757, support = 5.62, residual support = 40.6:
          HG3   LYS+  33 - HN    ALA   34   2.73 +/- 0.67  66.472% * 83.5621% (0.76   5.74  41.71) =  97.453%  kept
          QB    ALA   84 - HN    LEU   80   5.26 +/- 0.61  13.812% * 10.2141% (0.54   0.99   0.02) =   2.475%  kept
          HB    VAL   42 - HN    ALA   34  11.39 +/- 1.43   1.560% *  0.3182% (0.83   0.02   0.02) =   0.009%
          HB3   LEU   73 - HN    ALA   34  12.98 +/- 3.73   1.418% *  0.3416% (0.89   0.02   0.02) =   0.008%
          HB3   LEU   73 - HN    LEU   80  12.23 +/- 2.10   1.407% *  0.3060% (0.80   0.02   0.02) =   0.008%
          HG3   LYS+ 102 - HN    ALA   34  15.53 +/- 3.82   0.947% *  0.3517% (0.92   0.02   0.02) =   0.006%
          HG    LEU   98 - HN    ALA   34  11.64 +/- 2.52   1.402% *  0.1854% (0.49   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LEU   80  14.19 +/- 1.93   0.811% *  0.2207% (0.58   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ALA   34  22.10 +/- 7.18   1.172% *  0.1430% (0.37   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LEU   80  15.97 +/- 2.11   0.569% *  0.2850% (0.75   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   80  18.93 +/- 4.39   0.544% *  0.2850% (0.75   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ALA   34  10.20 +/- 2.27   2.198% *  0.0667% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    ALA   34  17.68 +/- 1.78   0.354% *  0.3801% (1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    ALA   34  18.15 +/- 2.53   0.411% *  0.3182% (0.83   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    ALA   34  14.49 +/- 2.70   0.773% *  0.1430% (0.37   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   80  12.15 +/- 1.54   1.282% *  0.0851% (0.22   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    LEU   80  18.28 +/- 2.74   0.319% *  0.3405% (0.89   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   80  17.30 +/- 3.45   0.587% *  0.1661% (0.44   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    LEU   80  20.62 +/- 5.28   0.314% *  0.2608% (0.68   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    ALA   34  18.96 +/- 3.28   0.337% *  0.2311% (0.61   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   80  21.62 +/- 3.38   0.229% *  0.3293% (0.86   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   80  23.55 +/- 4.02   0.216% *  0.3150% (0.82   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   80  15.17 +/- 2.86   0.807% *  0.0598% (0.16   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  16.83 +/- 2.40   0.632% *  0.0667% (0.17   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  26.76 +/- 2.26   0.114% *  0.3676% (0.96   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  22.51 +/- 1.96   0.169% *  0.2464% (0.65   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   34  16.97 +/- 1.67   0.398% *  0.0950% (0.25   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  22.52 +/- 5.29   0.278% *  0.1281% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  18.30 +/- 2.66   0.353% *  0.0598% (0.16   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.04 +/- 3.23   0.115% *  0.1281% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.73, support = 5.4, residual support = 38.9:
          QB    LYS+  33 - HN    ALA   34   3.30 +/- 0.44  53.901% * 46.2356% (0.72   5.93  41.71) =  75.527%  kept
          QB    LYS+  81 - HN    LEU   80   5.17 +/- 0.36  16.344% * 37.0374% (0.78   4.44  39.52) =  18.345%  kept
          HB3   GLN   30 - HN    ALA   34   5.51 +/- 0.67  15.316% * 12.8947% (0.69   1.75   1.71) =   5.985%  kept
          HB3   LYS+  38 - HN    ALA   34   8.77 +/- 0.74   3.742% *  0.8805% (0.87   0.09   0.02) =   0.100%
          HB3   GLN   90 - HN    LEU   80  11.89 +/- 1.33   1.523% *  0.1540% (0.72   0.02   0.02) =   0.007%
          HG3   PRO   68 - HN    ALA   34  15.50 +/- 3.39   1.671% *  0.1045% (0.49   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    LEU   80  16.81 +/- 6.40   1.002% *  0.1321% (0.61   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    LEU   80  16.53 +/- 1.86   0.537% *  0.1725% (0.80   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  17.35 +/- 1.50   0.421% *  0.1926% (0.89   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  20.60 +/- 3.62   0.428% *  0.1856% (0.86   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    LEU   80  14.81 +/- 1.80   0.718% *  0.1012% (0.47   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ALA   34  16.10 +/- 2.48   0.607% *  0.1130% (0.52   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  16.91 +/- 2.13   0.478% *  0.1303% (0.61   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  19.33 +/- 4.73   0.435% *  0.1397% (0.65   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  21.45 +/- 4.48   0.298% *  0.1863% (0.87   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   80  20.27 +/- 4.38   0.443% *  0.1089% (0.51   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LEU   80  19.65 +/- 3.15   0.383% *  0.1012% (0.47   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.02 +/- 2.31   0.164% *  0.2073% (0.96   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  21.14 +/- 2.02   0.240% *  0.1167% (0.54   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ALA   34  25.55 +/- 3.50   0.238% *  0.1130% (0.52   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  21.44 +/- 3.17   0.264% *  0.0936% (0.44   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  24.67 +/- 2.40   0.142% *  0.1669% (0.78   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  26.50 +/- 3.22   0.135% *  0.1720% (0.80   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.44 +/- 3.57   0.135% *  0.1216% (0.56   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.41 +/- 3.00   0.209% *  0.0733% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.10 +/- 3.55   0.225% *  0.0656% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.533, support = 7.24, residual support = 79.1:
      O   HA    LEU   80 - HN    LEU   80   2.74 +/- 0.27  71.444% * 73.7671% (0.50  10.0   7.58  85.52) =  91.951%  kept
          HA    ASP-  78 - HN    LEU   80   4.88 +/- 1.07  18.949% * 23.6947% (0.94   1.0   3.39   6.13) =   7.834%  kept
          HA    THR   23 - HN    LEU   80  13.46 +/- 9.05   5.733% *  2.1165% (0.85   1.0   0.34   0.77) =   0.212%  kept
          HB    THR   23 - HN    LEU   80  15.02 +/- 8.34   1.896% *  0.0526% (0.36   1.0   0.02   0.77) =   0.002%
          HA    THR   23 - HN    ALA   34  14.94 +/- 1.02   0.493% *  0.1040% (0.70   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  14.87 +/- 1.51   0.548% *  0.0435% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  20.16 +/- 5.76   0.297% *  0.0610% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.25 +/- 2.96   0.144% *  0.1157% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.08 +/- 2.05   0.318% *  0.0203% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  21.58 +/- 2.04   0.179% *  0.0246% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.754, support = 5.57, residual support = 49.0:
      O   HA    GLU-  79 - HN    LEU   80   3.45 +/- 0.30  65.508% * 96.4444% (0.76  10.0   5.60  49.36) =  99.344%  kept
          HB    THR   77 - HN    LEU   80   6.44 +/- 1.57  16.182% *  2.5071% (0.29   1.0   1.35   0.59) =   0.638%  kept
          HA    THR   39 - HN    ALA   34   8.04 +/- 0.97   6.218% *  0.0864% (0.68   1.0   0.02   4.76) =   0.008%
          HA1   GLY   51 - HN    LEU   80  19.34 +/- 4.41   1.176% *  0.1139% (0.89   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    LEU   80  10.41 +/- 0.70   2.717% *  0.0372% (0.29   1.0   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    LEU   80  19.35 +/- 3.92   0.572% *  0.1181% (0.93   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   80  11.93 +/- 1.14   1.856% *  0.0300% (0.24   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  13.76 +/- 2.37   1.341% *  0.0409% (0.32   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   34  21.68 +/- 4.22   0.422% *  0.0797% (0.63   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU   80  21.66 +/- 2.27   0.319% *  0.1045% (0.82   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  22.53 +/- 2.84   0.305% *  0.0976% (0.77   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  19.05 +/- 3.00   0.553% *  0.0495% (0.39   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.57 +/- 1.72   0.645% *  0.0248% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  19.48 +/- 3.39   0.593% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.72 +/- 3.39   0.134% *  0.0942% (0.74   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.59 +/- 3.15   0.375% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  28.70 +/- 6.67   0.342% *  0.0268% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.40 +/- 4.15   0.281% *  0.0277% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  23.92 +/- 4.35   0.242% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  25.65 +/- 3.00   0.220% *  0.0335% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.784, support = 5.58, residual support = 46.0:
          HB3   GLU-  79 - HN    LEU   80   3.25 +/- 0.68  63.818% * 74.8275% (0.79   5.87  49.36) =  93.234%  kept
          QB    GLU-  36 - HN    ALA   34   5.63 +/- 0.61  16.820% * 19.0555% (0.70   1.68   0.32) =   6.258%  kept
          HB3   GLU-  29 - HN    ALA   34   7.61 +/- 1.07   7.253% *  2.4964% (0.78   0.20   0.02) =   0.354%  kept
          HG3   GLU-  29 - HN    ALA   34   9.62 +/- 1.07   3.407% *  1.9121% (0.60   0.20   0.02) =   0.127%  kept
          HB2   GLN   90 - HN    LEU   80  12.10 +/- 1.11   1.617% *  0.2816% (0.87   0.02   0.02) =   0.009%
          HB2   LYS+  38 - HN    ALA   34   8.36 +/- 0.55   4.607% *  0.0779% (0.24   0.02   0.02) =   0.007%
          HB3   GLU-  29 - HN    LEU   80  20.49 +/- 7.10   0.623% *  0.3044% (0.94   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HN    LEU   80  20.11 +/- 7.58   0.792% *  0.2332% (0.72   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    ALA   34  20.23 +/- 3.95   0.404% *  0.2107% (0.65   0.02   0.02) =   0.002%
          QB    GLU-  36 - HN    LEU   80  22.34 +/- 3.57   0.300% *  0.2736% (0.85   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    ALA   34  26.98 +/- 3.24   0.168% *  0.2329% (0.72   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   80  25.21 +/- 2.47   0.190% *  0.0942% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.49, residual support = 20.1:
        T HN    ASN   35 - HN    ALA   34   2.72 +/- 0.06  97.398% * 98.7794% (0.80 10.00   4.49  20.13) =  99.996%  kept
        T HN    ASN   35 - HN    LEU   80  21.98 +/- 4.06   0.243% *  0.8847% (0.72 10.00   0.02   0.02) =   0.002%
          HN    ALA   12 - HN    ALA   34  18.08 +/- 3.46   0.509% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  27.85 +/- 6.35   0.259% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  15.20 +/- 1.44   0.603% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.25 +/- 1.88   0.434% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.03 +/- 3.20   0.405% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.56 +/- 2.49   0.149% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.89, support = 5.3, residual support = 39.4:
          HN    LYS+  81 - HN    LEU   80   3.47 +/- 0.39  81.891% * 94.9189% (0.89   5.31  39.52) =  99.794%  kept
          HE3   TRP   27 - HN    LEU   80  13.59 +/- 6.24   3.845% *  3.6195% (0.20   0.91   7.25) =   0.179%  kept
          HE3   TRP   27 - HN    ALA   34   8.19 +/- 0.80   7.908% *  0.0890% (0.22   0.02   0.02) =   0.009%
          QD    PHE   60 - HN    LEU   80  14.80 +/- 3.26   1.696% *  0.2868% (0.72   0.02   0.02) =   0.006%
          QD    PHE   60 - HN    ALA   34  16.67 +/- 2.31   1.371% *  0.3202% (0.80   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    ALA   34  22.12 +/- 5.30   0.456% *  0.3990% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    ALA   34  17.05 +/- 2.13   0.960% *  0.1234% (0.31   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  18.71 +/- 3.12   0.881% *  0.1105% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    LEU   80  19.66 +/- 3.65   0.690% *  0.0627% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  24.11 +/- 2.60   0.301% *  0.0700% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.722, support = 1.77, residual support = 1.81:
          HA    GLN   30 - HN    ALA   34   4.39 +/- 0.78  39.714% * 41.0684% (0.80   1.98   1.71) =  65.604%  kept
          HB3   SER   37 - HN    ALA   34   5.85 +/- 1.19  20.421% * 19.5754% (0.45   1.68   0.89) =  16.079%  kept
          HB    THR   39 - HN    ALA   34   7.35 +/- 1.63  11.364% * 23.5818% (0.61   1.50   4.76) =  10.780%  kept
          HB3   SER   82 - HN    LEU   80   6.80 +/- 0.94  15.352% * 11.9851% (0.82   0.56   0.48) =   7.401%  kept
          QB    SER   13 - HN    ALA   34  14.38 +/- 3.32   2.113% *  0.3354% (0.65   0.02   0.02) =   0.029%
          HA    ILE   89 - HN    LEU   80  11.41 +/- 1.21   2.726% *  0.2082% (0.40   0.02   0.02) =   0.023%
          HD3   PRO   52 - HN    LEU   80  18.82 +/- 4.58   1.310% *  0.4028% (0.78   0.02   0.02) =   0.021%
          HB2   CYS   53 - HN    LEU   80  16.70 +/- 4.38   2.570% *  0.1743% (0.34   0.02   0.02) =   0.018%
          HA    GLN   30 - HN    LEU   80  19.12 +/- 6.23   0.750% *  0.3718% (0.72   0.02   0.02) =   0.011%
          HB3   SER   82 - HN    ALA   34  21.19 +/- 6.83   0.565% *  0.4785% (0.92   0.02   0.02) =   0.011%
          HB    THR   39 - HN    LEU   80  20.96 +/- 2.68   0.492% *  0.2816% (0.54   0.02   0.02) =   0.006%
          QB    SER   13 - HN    LEU   80  23.34 +/- 4.77   0.345% *  0.3004% (0.58   0.02   0.02) =   0.004%
          HB3   SER   37 - HN    LEU   80  22.78 +/- 3.53   0.371% *  0.2082% (0.40   0.02   0.02) =   0.003%
          HD3   PRO   52 - HN    ALA   34  29.32 +/- 3.23   0.161% *  0.4497% (0.87   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    ALA   34  23.26 +/- 2.66   0.288% *  0.2324% (0.45   0.02   0.02) =   0.003%
          HB    THR  118 - HN    ALA   34  21.16 +/- 3.53   0.746% *  0.0800% (0.15   0.02   0.02) =   0.002%
          HB2   CYS   53 - HN    ALA   34  25.41 +/- 2.45   0.244% *  0.1946% (0.37   0.02   0.02) =   0.002%
          HB    THR  118 - HN    LEU   80  21.30 +/- 2.41   0.468% *  0.0716% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.744, support = 3.1, residual support = 11.1:
          HA    LEU   31 - HN    ALA   34   3.13 +/- 0.30  64.039% * 91.6947% (0.76   3.21  11.55) =  95.707%  kept
          HA    THR   77 - HN    LEU   80   4.50 +/- 1.55  35.001% *  7.5140% (0.34   0.60   0.59) =   4.287%  kept
          HA    LEU   31 - HN    LEU   80  18.16 +/- 4.82   0.586% *  0.5110% (0.68   0.02   0.02) =   0.005%
          HA    THR   77 - HN    ALA   34  20.02 +/- 3.58   0.374% *  0.2802% (0.37   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.392, support = 3.27, residual support = 6.04:
          HA    ASP-  78 - HN    LEU   80   4.88 +/- 1.07  50.188% * 86.1932% (0.40   3.39   6.13) =  95.865%  kept
          HA    THR   23 - HN    LEU   80  13.46 +/- 9.05  26.084% *  3.7810% (0.18   0.34   0.77) =   2.186%  kept
          HA    VAL   41 - HN    ALA   34   8.62 +/- 2.05  10.792% *  7.3577% (0.17   0.66   8.21) =   1.760%  kept
          HA    PHE   45 - HN    LEU   80   8.92 +/- 1.57   8.916% *  0.7797% (0.61   0.02   0.02) =   0.154%  kept
          HA    PHE   45 - HN    ALA   34  18.73 +/- 2.23   0.820% *  0.8705% (0.69   0.02   0.02) =   0.016%
          HA    THR   23 - HN    ALA   34  14.94 +/- 1.02   1.465% *  0.2508% (0.20   0.02   0.02) =   0.008%
          HA    ASP-  78 - HN    ALA   34  23.25 +/- 2.96   0.460% *  0.5682% (0.45   0.02   0.02) =   0.006%
          HA    VAL   41 - HN    LEU   80  16.29 +/- 2.36   1.275% *  0.1988% (0.16   0.02   0.02) =   0.006%
    Distance limit 4.08 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.704, support = 4.19, residual support = 18.4:
          QE    LYS+  33 - HN    ALA   34   4.56 +/- 0.76  30.836% * 31.1326% (0.52   5.13  41.71) =  38.297%  kept
          HB2   ASP-  78 - HN    LEU   80   5.42 +/- 0.97  19.265% * 43.2390% (0.88   4.27   6.13) =  33.230%  kept
          HB2   ASP-  76 - HN    LEU   80   4.65 +/- 0.99  29.132% * 24.4230% (0.75   2.83   1.48) =  28.383%  kept
          HB2   ASN   69 - HN    ALA   34  13.33 +/- 3.74   8.289% *  0.1675% (0.72   0.02   0.02) =   0.055%
          HB2   ASN   28 - HN    ALA   34   9.35 +/- 0.67   3.282% *  0.0948% (0.41   0.02   0.02) =   0.012%
          HB2   ASP-  86 - HN    LEU   80   8.87 +/- 0.99   4.368% *  0.0280% (0.12   0.02   0.02) =   0.005%
          HB2   ASN   28 - HN    LEU   80  17.38 +/- 7.22   1.228% *  0.0849% (0.37   0.02   1.20) =   0.004%
          HB2   ASP-  76 - HN    ALA   34  19.21 +/- 3.42   0.432% *  0.1926% (0.83   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    LEU   80  17.78 +/- 4.94   0.988% *  0.0574% (0.25   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    LEU   80  19.99 +/- 4.84   0.505% *  0.1087% (0.47   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  23.15 +/- 2.52   0.230% *  0.2261% (0.98   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  22.06 +/- 3.28   0.335% *  0.1500% (0.65   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ALA   34  17.78 +/- 2.49   0.468% *  0.0641% (0.28   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  19.55 +/- 5.59   0.639% *  0.0312% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.28 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 = 0.433, support = 5.6, residual support = 48.2:
          HB2   GLU-  79 - HN    LEU   80   3.03 +/- 0.51  77.633% * 85.7981% (0.44   5.72  49.36) =  97.672%  kept
          HG3   GLU-  36 - HN    ALA   34   6.86 +/- 1.34  15.970% *  9.7720% (0.34   0.83   0.32) =   2.288%  kept
          HG2   PRO   52 - HN    LEU   80  18.21 +/- 4.85   1.251% *  0.5351% (0.78   0.02   0.02) =   0.010%
          HG3   GLU-  25 - HN    LEU   80  18.57 +/- 8.33   1.062% *  0.6046% (0.88   0.02   0.02) =   0.009%
          HG3   GLU-  25 - HN    ALA   34  14.84 +/- 0.88   0.788% *  0.6751% (0.98   0.02   0.02) =   0.008%
          HG2   MET   92 - HN    LEU   80  14.65 +/- 1.70   1.002% *  0.2104% (0.30   0.02   0.02) =   0.003%
          QG    GLU- 114 - HN    LEU   80  19.44 +/- 3.10   0.577% *  0.2536% (0.37   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  19.90 +/- 4.09   0.405% *  0.3352% (0.49   0.02   0.02) =   0.002%
          HG2   PRO   52 - HN    ALA   34  27.95 +/- 3.16   0.144% *  0.5974% (0.87   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  23.32 +/- 2.64   0.276% *  0.2585% (0.37   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  22.90 +/- 2.33   0.243% *  0.2831% (0.41   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    LEU   80  22.93 +/- 3.48   0.232% *  0.2315% (0.34   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.41 +/- 3.54   0.228% *  0.2349% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  25.20 +/- 3.99   0.188% *  0.2104% (0.30   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.744, support = 5.44, residual support = 43.5:
          HB3   GLU-  79 - HN    LEU   80   3.25 +/- 0.68  42.521% * 66.3273% (0.78   5.87  49.36) =  87.976%  kept
          QB    GLU-  36 - HN    ALA   34   5.63 +/- 0.61  10.508% * 19.6096% (0.80   1.68   0.32) =   6.428%  kept
          QB    GLN   32 - HN    ALA   34   4.70 +/- 0.27  16.557% *  8.7985% (0.17   3.46   0.67) =   4.544%  kept
          HB    VAL   24 - HN    LEU   80  12.15 +/- 8.40  11.422% *  2.1741% (0.20   0.75   6.01) =   0.775%  kept
          HB3   GLU-  29 - HN    ALA   34   7.61 +/- 1.07   4.457% *  1.4037% (0.49   0.20   0.02) =   0.195%  kept
          HG3   GLU- 100 - HN    ALA   34  10.58 +/- 3.99   8.860% *  0.1415% (0.49   0.02   0.02) =   0.039%
          HG3   GLU-  29 - HN    ALA   34   9.62 +/- 1.07   2.055% *  0.5050% (0.17   0.20   0.02) =   0.032%
          HB2   GLN   90 - HN    LEU   80  12.10 +/- 1.11   1.022% *  0.0804% (0.28   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   34  20.23 +/- 3.95   0.247% *  0.2522% (0.87   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    LEU   80  20.49 +/- 7.10   0.377% *  0.1268% (0.44   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    ALA   34  14.30 +/- 0.75   0.607% *  0.0647% (0.22   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  22.34 +/- 3.57   0.184% *  0.2085% (0.72   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    LEU   80  23.78 +/- 3.70   0.177% *  0.1268% (0.44   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  20.11 +/- 7.58   0.471% *  0.0456% (0.16   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    LEU   80  19.02 +/- 5.51   0.431% *  0.0456% (0.16   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  26.98 +/- 3.24   0.105% *  0.0897% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.689, support = 0.164, residual support = 0.316:
          QG1   VAL   75 - HN    LEU   80   6.15 +/- 1.07  73.312% * 70.0243% (0.68   0.17   0.33) =  95.203%  kept
          QD1   LEU  115 - HN    LEU   80  15.49 +/- 3.18  12.254% *  9.8579% (0.82   0.02   0.02) =   2.240%  kept
          QG1   VAL   75 - HN    ALA   34  13.80 +/- 2.77  11.084% *  9.1117% (0.76   0.02   0.02) =   1.873%  kept
          QD1   LEU  115 - HN    ALA   34  18.93 +/- 2.31   3.351% * 11.0061% (0.92   0.02   0.02) =   0.684%  kept
    Distance limit 4.64 A violated in 10 structures by 1.47 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 = 0.339, support = 6.52, residual support = 81.3:
          QD2   LEU   80 - HN    LEU   80   3.60 +/- 0.66  36.283% * 55.2020% (0.40   6.52  85.52) =  68.614%  kept
          QD1   LEU   80 - HN    LEU   80   4.00 +/- 0.63  27.006% * 28.1130% (0.18   7.52  85.52) =  26.009%  kept
          QG2   VAL   41 - HN    ALA   34   7.05 +/- 2.47  11.220% * 13.4831% (0.34   1.87   8.21) =   5.183%  kept
          QD1   LEU   73 - HN    ALA   34   9.99 +/- 3.79   5.194% *  0.3524% (0.83   0.02   0.02) =   0.063%
          QD1   LEU   73 - HN    LEU   80  10.58 +/- 2.34   2.673% *  0.3156% (0.75   0.02   0.02) =   0.029%
          QD2   LEU   63 - HN    ALA   34  13.27 +/- 2.86   1.503% *  0.3784% (0.89   0.02   0.02) =   0.019%
          QD1   LEU   63 - HN    ALA   34  13.45 +/- 2.51   1.423% *  0.3524% (0.83   0.02   0.02) =   0.017%
          QD1   LEU  104 - HN    ALA   34  10.88 +/- 2.60   3.301% *  0.1052% (0.25   0.02   0.02) =   0.012%
          QD2   LEU   98 - HN    ALA   34   9.14 +/- 2.57   4.078% *  0.0835% (0.20   0.02   0.02) =   0.012%
          QD1   LEU   63 - HN    LEU   80  15.15 +/- 3.00   0.993% *  0.3156% (0.75   0.02   0.02) =   0.011%
          QD2   LEU   63 - HN    LEU   80  15.39 +/- 2.40   0.704% *  0.3389% (0.80   0.02   0.02) =   0.008%
          QD2   LEU   80 - HN    ALA   34  15.09 +/- 5.82   1.083% *  0.1892% (0.45   0.02   0.02) =   0.007%
          QG2   VAL   41 - HN    LEU   80  13.27 +/- 2.28   0.896% *  0.1289% (0.30   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    LEU   80  13.12 +/- 3.23   1.400% *  0.0748% (0.18   0.02   0.02) =   0.004%
          QD1   LEU   80 - HN    ALA   34  15.59 +/- 6.19   1.102% *  0.0835% (0.20   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU   80  16.89 +/- 3.25   0.462% *  0.1839% (0.44   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  19.46 +/- 2.33   0.306% *  0.2054% (0.49   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  18.07 +/- 2.75   0.375% *  0.0942% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (0.82, 8.08, 121.56 ppm):
    6 chemical-shift based assignments, quality = 0.705, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  20.49 +/- 5.72  18.236% * 31.5414% (1.00   0.02   0.02) =  36.108%  kept
          QD2   LEU  123 - HN    LEU   80  23.24 +/- 3.55  13.477% * 28.2508% (0.89   0.02   0.02) =  23.901%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.32 +/- 6.65  17.031% * 14.1725% (0.45   0.02   0.02) =  15.153%  kept
          HB3   LEU  104 - HN    ALA   34  15.28 +/- 3.10  32.451% *  7.0378% (0.22   0.02   0.02) =  14.337%  kept
          HG3   LYS+ 121 - HN    LEU   80  25.74 +/- 2.49   7.627% * 12.6939% (0.40   0.02   0.02) =   6.078%  kept
          HB3   LEU  104 - HN    LEU   80  22.57 +/- 2.74  11.179% *  6.3036% (0.20   0.02   0.02) =   4.424%  kept
    Distance limit 4.46 A violated in 20 structures by 8.62 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.772, support = 5.48, residual support = 40.1:
          QB    LYS+  33 - HN    ALA   34   3.30 +/- 0.44  53.901% * 46.3762% (0.74   5.93  41.71) =  75.339%  kept
          QB    LYS+  81 - HN    LEU   80   5.17 +/- 0.36  16.344% * 44.2953% (0.94   4.44  39.52) =  21.820%  kept
          HB3   GLN   30 - HN    ALA   34   5.51 +/- 0.67  15.316% *  5.9422% (0.32   1.75   1.71) =   2.743%  kept
          HB3   LYS+  38 - HN    ALA   34   8.77 +/- 0.74   3.742% *  0.4740% (0.47   0.09   0.02) =   0.053%
          HB3   GLN   90 - HN    LEU   80  11.89 +/- 1.33   1.523% *  0.1960% (0.93   0.02   0.02) =   0.009%
          HG3   PRO   68 - HN    ALA   34  15.50 +/- 3.39   1.671% *  0.1264% (0.60   0.02   0.02) =   0.006%
          QB    LYS+ 106 - HN    LEU   80  16.53 +/- 1.86   0.537% *  0.2000% (0.95   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    LEU   80  16.81 +/- 6.40   1.002% *  0.0822% (0.39   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  19.33 +/- 4.73   0.435% *  0.1892% (0.89   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ALA   34  16.10 +/- 2.48   0.607% *  0.1324% (0.63   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   80  20.27 +/- 4.38   0.443% *  0.1671% (0.79   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  17.35 +/- 1.50   0.421% *  0.1654% (0.78   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  16.91 +/- 2.13   0.478% *  0.1434% (0.68   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  20.60 +/- 3.62   0.428% *  0.1528% (0.72   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  19.65 +/- 3.15   0.383% *  0.1601% (0.76   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  21.45 +/- 4.48   0.298% *  0.1650% (0.78   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU   80  21.14 +/- 2.02   0.240% *  0.1735% (0.82   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  21.44 +/- 3.17   0.264% *  0.1528% (0.72   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   80  14.81 +/- 1.80   0.718% *  0.0556% (0.26   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  26.50 +/- 3.22   0.135% *  0.1621% (0.77   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.02 +/- 2.31   0.164% *  0.1264% (0.60   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.44 +/- 3.57   0.135% *  0.1381% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  24.67 +/- 2.40   0.142% *  0.1213% (0.57   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ALA   34  25.55 +/- 3.50   0.238% *  0.0460% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.10 +/- 3.55   0.225% *  0.0309% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.41 +/- 3.00   0.209% *  0.0255% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.248, support = 3.67, residual support = 24.8:
      O   QB    ALA   34 - HN    ALA   34   2.06 +/- 0.07  88.412% * 81.6096% (0.24  10.0   3.70  25.14) =  98.662%  kept
          QG2   THR   77 - HN    LEU   80   5.75 +/- 1.25   5.622% * 17.2694% (0.76   1.0   1.35   0.59) =   1.328%  kept
          QG2   THR   23 - HN    LEU   80  13.00 +/- 7.17   2.076% *  0.2069% (0.61   1.0   0.02   0.77) =   0.006%
          HG2   LYS+  38 - HN    ALA   34   7.92 +/- 0.75   1.912% *  0.0408% (0.12   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.74 +/- 1.34   0.419% *  0.1710% (0.51   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    LEU   80  11.46 +/- 0.65   0.529% *  0.1315% (0.39   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   34  17.38 +/- 2.14   0.171% *  0.2117% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.14 +/- 3.10   0.241% *  0.0987% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  16.92 +/- 3.50   0.354% *  0.0560% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  20.48 +/- 2.80   0.108% *  0.1087% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.55 +/- 2.18   0.100% *  0.0463% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  24.74 +/- 2.22   0.056% *  0.0493% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.475, support = 6.2, residual support = 85.5:
      O   HB2   LEU   80 - HN    LEU   80   3.17 +/- 0.64  43.811% * 49.7271% (0.26  10.0   5.85  85.52) =  57.090%  kept
          HG    LEU   80 - HN    LEU   80   3.88 +/- 1.01  34.233% * 47.7667% (0.76   1.0   6.67  85.52) =  42.850%  kept
          HG12  ILE   19 - HN    LEU   80  19.04 +/- 8.54   5.255% *  0.1229% (0.65   1.0   0.02   0.02) =   0.017%
          QB    ALA  110 - HN    LEU   80  17.04 +/- 3.43   2.152% *  0.1367% (0.72   1.0   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    ALA   34  11.62 +/- 3.94   2.012% *  0.1235% (0.65   1.0   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ALA   34  11.46 +/- 3.67   1.616% *  0.1016% (0.54   1.0   0.02   0.02) =   0.004%
          HG    LEU   73 - HN    LEU   80  13.42 +/- 2.57   0.664% *  0.1494% (0.79   1.0   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ALA   34  10.08 +/- 1.54   1.862% *  0.0504% (0.27   1.0   0.02   0.48) =   0.002%
          QB    ALA   61 - HN    LEU   80  15.15 +/- 2.82   0.552% *  0.1692% (0.89   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   34  14.15 +/- 2.67   0.545% *  0.1475% (0.78   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ALA   34  16.08 +/- 2.61   0.572% *  0.1399% (0.74   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ALA   34  14.72 +/- 3.73   0.710% *  0.1074% (0.57   1.0   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    LEU   80  17.81 +/- 3.23   0.374% *  0.1726% (0.91   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    LEU   80  17.64 +/- 2.92   0.308% *  0.1785% (0.94   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   34  16.62 +/- 2.53   0.335% *  0.1427% (0.75   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA   34  18.71 +/- 6.49   0.348% *  0.1184% (0.63   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  10.95 +/- 1.88   1.307% *  0.0276% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   80  19.33 +/- 3.10   0.520% *  0.0610% (0.32   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  13.91 +/- 3.02   0.663% *  0.0369% (0.20   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   80  23.24 +/- 4.16   0.116% *  0.1299% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  17.65 +/- 3.48   0.327% *  0.0446% (0.24   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  18.78 +/- 6.03   0.318% *  0.0411% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  23.12 +/- 1.99   0.111% *  0.1130% (0.60   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  18.76 +/- 2.05   0.197% *  0.0610% (0.32   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  21.69 +/- 6.53   0.458% *  0.0259% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  15.35 +/- 1.81   0.418% *  0.0228% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  22.41 +/- 2.68   0.133% *  0.0504% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  25.60 +/- 3.06   0.083% *  0.0313% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.588, support = 2.35, residual support = 10.4:
          HG    LEU   31 - HN    ALA   34   5.77 +/- 0.49  19.462% * 68.1355% (0.51   3.11  11.55) =  68.250%  kept
          QG1   VAL   41 - HN    ALA   34   5.86 +/- 1.93  23.443% * 25.3578% (0.78   0.75   8.21) =  30.596%  kept
          QG1   VAL   43 - HN    LEU   80   9.35 +/- 2.40   6.775% *  0.7567% (0.87   0.02   0.02) =   0.264%  kept
          QG2   THR   46 - HN    LEU   80   9.02 +/- 1.83   5.801% *  0.4972% (0.57   0.02   0.02) =   0.148%  kept
          QD2   LEU   73 - HN    ALA   34   9.60 +/- 3.11   7.060% *  0.3299% (0.38   0.02   0.02) =   0.120%  kept
          QG1   VAL   43 - HN    ALA   34  11.19 +/- 2.58   3.097% *  0.6256% (0.72   0.02   0.02) =   0.100%
          QD2   LEU   73 - HN    LEU   80  11.18 +/- 2.03   4.271% *  0.3990% (0.46   0.02   0.02) =   0.088%
          QD1   ILE   19 - HN    LEU   80  16.06 +/- 7.16   6.227% *  0.2279% (0.26   0.02   0.02) =   0.073%
          QD1   ILE   19 - HN    ALA   34   9.08 +/- 3.09   7.240% *  0.1884% (0.22   0.02   0.02) =   0.070%
          QG2   VAL   18 - HN    ALA   34  12.56 +/- 2.93   2.608% *  0.4921% (0.57   0.02   0.02) =   0.066%
          QG2   VAL   18 - HN    LEU   80  16.18 +/- 7.22   1.876% *  0.5952% (0.69   0.02   0.02) =   0.057%
          QG1   VAL   41 - HN    LEU   80  14.67 +/- 2.38   1.246% *  0.8179% (0.94   0.02   0.02) =   0.052%
          HG    LEU   31 - HN    LEU   80  16.37 +/- 5.59   1.433% *  0.5302% (0.61   0.02   0.02) =   0.039%
          QD2   LEU  104 - HN    ALA   34  11.47 +/- 2.94   6.346% *  0.1187% (0.14   0.02   0.02) =   0.039%
          QG2   THR   46 - HN    ALA   34  17.17 +/- 2.11   0.796% *  0.4111% (0.47   0.02   0.02) =   0.017%
          QD1   ILE   56 - HN    LEU   80  16.49 +/- 2.79   1.109% *  0.2044% (0.24   0.02   0.02) =   0.012%
          QD2   LEU  104 - HN    LEU   80  18.58 +/- 2.79   0.735% *  0.1435% (0.17   0.02   0.02) =   0.005%
          QD1   ILE   56 - HN    ALA   34  19.72 +/- 2.02   0.474% *  0.1690% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.52 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.5, residual support = 85.4:
          QD2   LEU   80 - HN    LEU   80   3.60 +/- 0.66  49.280% * 97.1610% (0.85   6.52  85.52) =  99.821%  kept
          QD1   LEU   73 - HN    ALA   34   9.99 +/- 3.79   7.729% *  0.2695% (0.77   0.02   0.02) =   0.043%
          QG1   VAL   83 - HN    LEU   80   5.24 +/- 0.81  22.071% *  0.0829% (0.24   0.02   0.20) =   0.038%
          QD1   LEU   73 - HN    LEU   80  10.58 +/- 2.34   3.997% *  0.3259% (0.93   0.02   0.02) =   0.027%
          QD1   LEU  104 - HN    ALA   34  10.88 +/- 2.60   5.213% *  0.1888% (0.54   0.02   0.02) =   0.021%
          QD1   LEU   63 - HN    ALA   34  13.45 +/- 2.51   1.892% *  0.2695% (0.77   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    LEU   80  15.15 +/- 3.00   1.504% *  0.3259% (0.93   0.02   0.02) =   0.010%
          QD2   LEU   80 - HN    ALA   34  15.09 +/- 5.82   1.723% *  0.2465% (0.70   0.02   0.02) =   0.009%
          QD2   LEU   63 - HN    ALA   34  13.27 +/- 2.86   2.011% *  0.1233% (0.35   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    LEU   80  16.89 +/- 3.25   0.664% *  0.3069% (0.87   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU   80  15.39 +/- 2.40   1.049% *  0.1491% (0.42   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU   80  18.07 +/- 2.75   0.623% *  0.2284% (0.65   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    ALA   34  14.54 +/- 5.33   1.819% *  0.0686% (0.20   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  19.46 +/- 2.33   0.426% *  0.2538% (0.72   0.02   0.02) =   0.002%
    Distance limit 4.05 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 = 0.457, support = 0.167, residual support = 0.322:
          QG1   VAL   75 - HN    LEU   80   6.15 +/- 1.07  73.312% * 81.2105% (0.46   0.17   0.33) =  97.114%  kept
          QG1   VAL   75 - HN    ALA   34  13.80 +/- 2.77  11.084% *  7.8256% (0.38   0.02   0.02) =   1.415%  kept
          QD1   LEU  115 - HN    LEU   80  15.49 +/- 3.18  12.254% *  6.0016% (0.29   0.02   0.02) =   1.200%  kept
          QD1   LEU  115 - HN    ALA   34  18.93 +/- 2.31   3.351% *  4.9622% (0.24   0.02   0.02) =   0.271%  kept
    Distance limit 4.45 A violated in 12 structures by 1.65 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 = 3.54, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  69.531% * 86.5242% (0.63  10.0   3.50  25.14) =  97.441%  kept
          HA    LYS+  81 - HN    LEU   80   4.71 +/- 0.36  14.646% * 10.1503% (0.29   1.0   5.03  39.52) =   2.408%  kept
          HA    GLU-  36 - HN    ALA   34   7.06 +/- 0.12   4.118% *  2.0458% (0.17   1.0   1.70   0.32) =   0.136%  kept
          HA    ASN   28 - HN    ALA   34   7.68 +/- 0.33   3.269% *  0.1022% (0.74   1.0   0.02   0.02) =   0.005%
          HA1   GLY  101 - HN    ALA   34  11.49 +/- 3.65   2.851% *  0.0655% (0.47   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    LEU   80  16.19 +/- 6.61   0.911% *  0.1236% (0.89   1.0   0.02   1.20) =   0.002%
          HA    LEU  115 - HN    LEU   80  20.30 +/- 3.09   0.332% *  0.1206% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  19.74 +/- 4.18   0.323% *  0.1092% (0.79   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34  10.04 +/- 1.10   1.604% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  25.88 +/- 8.34   0.360% *  0.0785% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.67 +/- 4.63   0.305% *  0.0793% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.85 +/- 3.70   0.195% *  0.1046% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  17.98 +/- 7.91   0.703% *  0.0229% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.62 +/- 2.80   0.154% *  0.0997% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.52 +/- 3.28   0.188% *  0.0586% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.37 +/- 2.95   0.092% *  0.0903% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.85 +/- 4.64   0.162% *  0.0334% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.49 +/- 3.58   0.054% *  0.0949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.09 +/- 3.30   0.104% *  0.0484% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.84 +/- 3.50   0.096% *  0.0291% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.584, support = 3.06, residual support = 10.9:
          HA    LEU   31 - HN    ALA   34   3.13 +/- 0.30  64.039% * 89.1872% (0.60   3.21  11.55) =  94.289%  kept
          HA    THR   77 - HN    LEU   80   4.50 +/- 1.55  35.001% *  9.8690% (0.36   0.60   0.59) =   5.703%  kept
          HA    LEU   31 - HN    LEU   80  18.16 +/- 4.82   0.586% *  0.6712% (0.72   0.02   0.02) =   0.006%
          HA    THR   77 - HN    ALA   34  20.02 +/- 3.58   0.374% *  0.2725% (0.29   0.02   0.02) =   0.002%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.707, support = 4.33, residual support = 20.5:
          QE    LYS+  33 - HN    ALA   34   4.56 +/- 0.76  30.836% * 35.0277% (0.60   5.13  41.71) =  43.314%  kept
          HB2   ASP-  78 - HN    LEU   80   5.42 +/- 0.97  19.265% * 45.2251% (0.93   4.27   6.13) =  34.939%  kept
          HB2   ASP-  76 - HN    LEU   80   4.65 +/- 0.99  29.132% * 18.5493% (0.57   2.83   1.48) =  21.670%  kept
          HB2   ASN   69 - HN    ALA   34  13.33 +/- 3.74   8.289% *  0.0870% (0.38   0.02   0.02) =   0.029%
          HB2   ASN   28 - HN    ALA   34   9.35 +/- 0.67   3.282% *  0.1156% (0.51   0.02   0.02) =   0.015%
          HB2   ASP-  86 - HN    LEU   80   8.87 +/- 0.99   4.368% *  0.0601% (0.26   0.02   0.02) =   0.011%
          HB2   ASN   28 - HN    LEU   80  17.38 +/- 7.22   1.228% *  0.1398% (0.61   0.02   1.20) =   0.007%
          QE    LYS+  65 - HN    LEU   80  17.78 +/- 4.94   0.988% *  0.1052% (0.46   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    LEU   80  19.99 +/- 4.84   0.505% *  0.1651% (0.72   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HN    ALA   34  19.21 +/- 3.42   0.432% *  0.1083% (0.47   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ALA   34  17.78 +/- 2.49   0.468% *  0.0870% (0.38   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  23.15 +/- 2.52   0.230% *  0.1751% (0.77   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  22.06 +/- 3.28   0.335% *  0.1052% (0.46   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  19.55 +/- 5.59   0.639% *  0.0497% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.34 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 = 0.457, support = 5.63, residual support = 48.5:
          HB2   GLU-  79 - HN    LEU   80   3.03 +/- 0.51  77.633% * 88.5922% (0.46   5.72  49.36) =  98.259%  kept
          HG3   GLU-  36 - HN    ALA   34   6.86 +/- 1.34  15.970% *  7.4724% (0.27   0.83   0.32) =   1.705%  kept
          HG2   PRO   52 - HN    LEU   80  18.21 +/- 4.85   1.251% *  0.5525% (0.82   0.02   0.02) =   0.010%
          HG3   GLU-  25 - HN    LEU   80  18.57 +/- 8.33   1.062% *  0.6243% (0.93   0.02   0.02) =   0.009%
          HG3   GLU-  25 - HN    ALA   34  14.84 +/- 0.88   0.788% *  0.5162% (0.77   0.02   0.02) =   0.006%
          HG2   MET   92 - HN    LEU   80  14.65 +/- 1.70   1.002% *  0.2173% (0.32   0.02   0.02) =   0.003%
          QG    GLU- 114 - HN    LEU   80  19.44 +/- 3.10   0.577% *  0.2619% (0.39   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  19.90 +/- 4.09   0.405% *  0.2563% (0.38   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  27.95 +/- 3.16   0.144% *  0.4568% (0.68   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    LEU   80  22.93 +/- 3.48   0.232% *  0.2391% (0.36   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  23.32 +/- 2.64   0.276% *  0.1977% (0.29   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  22.90 +/- 2.33   0.243% *  0.2165% (0.32   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  25.20 +/- 3.99   0.188% *  0.2173% (0.32   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.41 +/- 3.54   0.228% *  0.1796% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.761, support = 7.21, residual support = 39.9:
      O   HA    LYS+  33 - HN    ALA   34   3.57 +/- 0.04  39.801% * 88.9085% (0.78  10.0   7.36  41.71) =  95.494%  kept
          HA    GLN   32 - HN    ALA   34   4.38 +/- 0.31  21.973% *  5.9591% (0.22   1.0   4.82   0.67) =   3.533%  kept
          HB2   SER   82 - HN    LEU   80   7.20 +/- 1.10   8.897% *  2.6966% (0.85   1.0   0.56   0.48) =   0.647%  kept
          HA    GLU-  29 - HN    ALA   34   6.70 +/- 0.90   6.789% *  0.8510% (0.75   1.0   0.20   0.02) =   0.156%  kept
          HB2   SER   37 - HN    ALA   34   6.35 +/- 1.33  10.561% *  0.5190% (0.17   1.0   0.52   0.89) =   0.148%  kept
          HA    VAL   70 - HN    ALA   34  10.70 +/- 2.47   3.265% *  0.0771% (0.68   1.0   0.02   0.02) =   0.007%
          HA    VAL   18 - HN    ALA   34  13.19 +/- 3.71   1.293% *  0.0841% (0.74   1.0   0.02   0.02) =   0.003%
          HA    SER   48 - HN    LEU   80  13.38 +/- 3.65   1.869% *  0.0566% (0.50   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  20.07 +/- 8.80   0.812% *  0.1017% (0.89   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    LEU   80  19.99 +/- 6.72   0.436% *  0.1038% (0.91   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  11.68 +/- 0.71   1.187% *  0.0332% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  21.03 +/- 7.10   0.397% *  0.0797% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  19.00 +/- 2.05   0.314% *  0.0933% (0.82   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  22.78 +/- 4.90   0.204% *  0.1075% (0.95   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   80  22.79 +/- 3.38   0.210% *  0.0933% (0.82   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  23.76 +/- 3.81   0.217% *  0.0771% (0.68   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  17.81 +/- 4.50   0.934% *  0.0166% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  21.41 +/- 5.36   0.282% *  0.0299% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.96 +/- 3.28   0.119% *  0.0468% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  22.50 +/- 3.03   0.189% *  0.0239% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  24.12 +/- 3.70   0.156% *  0.0274% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.03 +/- 3.09   0.096% *  0.0137% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.436, support = 0.02, residual support = 0.403:
          HN    GLU-  29 - HN    ALA   34   8.02 +/- 0.61  18.834% * 11.4785% (0.61  1.00   0.02   0.02) =  32.441%  kept
          HN    GLN   30 - HN    ALA   34   5.99 +/- 0.59  45.627% *  3.3143% (0.17  1.00   0.02   1.71) =  22.692%  kept
          HN    VAL   18 - HN    ALA   34  14.61 +/- 3.46   5.380% * 13.7422% (0.72  1.00   0.02   0.02) =  11.093%  kept
          HN    ASP-  86 - HN    LEU   80   8.77 +/- 0.82  16.985% *  3.7738% (0.20  1.00   0.02   0.02) =   9.618%  kept
        T HN    ASP-  86 - HN    ALA   34  21.26 +/- 5.25   1.492% * 42.1332% (0.22 10.00   0.02   0.02) =   9.433%  kept
          HN    VAL   18 - HN    LEU   80  20.92 +/- 8.25   3.570% * 12.3085% (0.65  1.00   0.02   0.02) =   6.594%  kept
          HN    GLU-  29 - HN    LEU   80  17.84 +/- 7.22   4.115% * 10.2810% (0.54  1.00   0.02   0.02) =   6.348%  kept
          HN    GLN   30 - HN    LEU   80  17.50 +/- 6.73   3.997% *  2.9685% (0.16  1.00   0.02   0.02) =   1.780%  kept
    Distance limit 3.80 A violated in 15 structures by 1.89 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.372, support = 0.02, residual support = 0.332:
          HN    GLU-  29 - HN    ALA   34   8.02 +/- 0.61  18.834% * 10.1298% (0.41  1.00   0.02   0.02) =  29.728%  kept
          HN    GLN   30 - HN    ALA   34   5.99 +/- 0.59  45.627% *  2.6057% (0.11  1.00   0.02   1.71) =  18.525%  kept
          HN    VAL   18 - HN    ALA   34  14.61 +/- 3.46   5.380% * 15.4172% (0.63  1.00   0.02   0.02) =  12.923%  kept
          HN    ASP-  86 - HN    LEU   80   8.77 +/- 0.82  16.985% *  4.0782% (0.17  1.00   0.02   0.02) =  10.793%  kept
          HN    VAL   18 - HN    LEU   80  20.92 +/- 8.25   3.570% * 18.6466% (0.76  1.00   0.02   0.02) =  10.373%  kept
          HN    GLU-  29 - HN    LEU   80  17.84 +/- 7.22   4.115% * 12.2517% (0.50  1.00   0.02   0.02) =   7.855%  kept
        T HN    ASP-  86 - HN    ALA   34  21.26 +/- 5.25   1.492% * 33.7193% (0.14 10.00   0.02   0.02) =   7.839%  kept
          HN    GLN   30 - HN    LEU   80  17.50 +/- 6.73   3.997% *  3.1515% (0.13  1.00   0.02   0.02) =   1.963%  kept
    Distance limit 3.77 A violated in 15 structures by 1.91 A, eliminated.
    Peak unassigned.
 
    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   2.72 +/- 0.06  97.398% * 98.3004% (0.54 10.00   4.49  20.13) =  99.995%  kept
        T HN    ASN   35 - HN    LEU   80  21.98 +/- 4.06   0.243% *  1.1889% (0.65 10.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    ALA   34  18.08 +/- 3.46   0.509% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  27.85 +/- 6.35   0.259% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  15.20 +/- 1.44   0.603% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.25 +/- 1.88   0.434% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.03 +/- 3.20   0.405% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.56 +/- 2.49   0.149% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.936, support = 5.31, residual support = 39.5:
          HN    LYS+  81 - HN    LEU   80   3.47 +/- 0.39  82.711% * 96.2208% (0.94   5.31  39.52) =  99.854%  kept
          HE3   TRP   27 - HN    LEU   80  13.59 +/- 6.24   3.883% *  2.5599% (0.15   0.91   7.25) =   0.125%  kept
          QD    PHE   60 - HN    LEU   80  14.80 +/- 3.26   1.713% *  0.3278% (0.85   0.02   0.02) =   0.007%
          QD    PHE   60 - HN    ALA   34  16.67 +/- 2.31   1.385% *  0.2710% (0.70   0.02   0.02) =   0.005%
          HE3   TRP   27 - HN    ALA   34   8.19 +/- 0.80   7.987% *  0.0466% (0.12   0.02   0.02) =   0.005%
          HN    LYS+  81 - HN    ALA   34  22.12 +/- 5.30   0.461% *  0.2995% (0.78   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  18.71 +/- 3.12   0.889% *  0.1502% (0.39   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    ALA   34  17.05 +/- 2.13   0.970% *  0.1242% (0.32   0.02   0.02) =   0.002%
    Distance limit 4.07 A violated in 0 structures by 0.00 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        :    459
      with multiple volume contributions     :    513
      eliminated by violation filter         :     33
 
    Peaks:
      selected                               :   1103
      without assignment                     :     50
      with assignment                        :   1053
      with unique assignment                 :    567
      with multiple assignment               :    486
      with reference assignment              :    129
      with identical reference assignment    :    110
      with compatible reference assignment   :     19
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    924
 
    Atoms with eliminated volume contribution > 2.5:
    HN    LEU   80       2.9
 
    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 = 0.778, support = 3.67, residual support = 46.8:
    * O T HG2   MET   11 - HA    MET   11   3.32 +/- 0.75  38.680% * 70.8328% (1.00  10.0 10.00   4.00  47.76) =  63.544%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.72 +/- 0.17  56.613% * 27.7351% (0.39  10.0 10.00   3.09  45.21) =  36.416%  kept
        T HB2   GLU-  14 - HA    MET   11  10.23 +/- 1.73   1.862% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.031%
        T HG2   MET   11 - HA    GLU-  14  10.23 +/- 1.46   1.297% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   ARG+  54 - HA    MET   11  31.06 +/- 6.62   0.068% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  27.97 +/- 6.24   0.074% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.47 +/- 5.53   0.233% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  17.00 +/- 4.29   0.582% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.02 +/- 4.40   0.089% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.56 +/- 3.61   0.117% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  33.61 +/- 6.50   0.044% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  30.23 +/- 5.33   0.055% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.12 +/- 4.06   0.056% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.40 +/- 3.90   0.096% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  34.22 +/- 5.88   0.061% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  28.76 +/- 3.49   0.073% *  0.0038% (0.05   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 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.784, support = 3.69, residual support = 46.9:
    * O T HG3   MET   11 - HA    MET   11   3.25 +/- 0.62  39.424% * 72.0852% (1.00  10.0 10.00   4.00  47.76) =  65.662%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.77 +/- 0.24  55.489% * 26.7596% (0.37  10.0 10.00   3.09  45.21) =  34.307%  kept
        T HB3   GLU-  14 - HA    MET   11  10.24 +/- 1.35   1.308% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.021%
        T HG3   MET   11 - HA    GLU-  14  10.27 +/- 1.43   1.452% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.009%
          HB3   MET   96 - HA    MET   11  27.75 +/- 4.85   0.112% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.00 +/- 4.30   0.226% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.07 +/- 4.08   0.231% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  26.58 +/- 6.33   0.120% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.42 +/- 3.00   0.741% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.04 +/- 2.91   0.388% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  19.25 +/- 3.15   0.228% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  22.18 +/- 4.22   0.167% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  34.69 +/- 5.47   0.045% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.69 +/- 4.63   0.069% *  0.0079% (0.11   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 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.84, support = 3.81, residual support = 46.7:
    * O T HA    MET   11 - HG2   MET   11   3.32 +/- 0.75  29.541% * 79.8644% (1.00  10.0 10.00   4.00  47.76) =  80.357%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.72 +/- 0.17  42.650% * 12.2953% (0.15  10.0 10.00   3.09  45.21) =  17.861%  kept
          HA    ALA   12 - HG2   MET   11   5.23 +/- 0.95   8.180% *  6.1381% (0.53   1.0  1.00   2.92  11.90) =   1.710%  kept
          HA    ALA   12 - HB2   GLU-  14   7.19 +/- 1.62   4.815% *  0.2625% (0.20   1.0  1.00   0.33   0.02) =   0.043%
        T HA    MET   11 - HB2   GLU-  14  10.23 +/- 1.73   1.383% *  0.2991% (0.37   1.0 10.00   0.02   0.02) =   0.014%
        T HA    GLU-  14 - HG2   MET   11  10.23 +/- 1.46   0.975% *  0.3283% (0.41   1.0 10.00   0.02   0.02) =   0.011%
          HA1   GLY   51 - HB2   ARG+  54   5.51 +/- 1.09   7.238% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HG2   MET   11  28.42 +/- 6.23   0.204% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HG2   MET   11  20.49 +/- 5.14   0.224% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  22.92 +/- 4.91   0.207% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  26.96 +/- 5.15   0.062% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  16.34 +/- 3.69   0.305% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  30.75 +/- 6.29   0.056% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.26 +/- 7.10   0.292% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  31.06 +/- 6.62   0.052% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  22.00 +/- 3.84   0.112% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  29.50 +/- 6.99   0.070% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.81 +/- 6.61   0.094% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.10 +/- 6.24   0.029% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.23 +/- 5.03   0.075% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   8.26 +/- 1.15   1.825% *  0.0012% (0.01   1.0  1.00   0.02   0.52) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.46 +/- 1.86   0.280% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.02 +/- 4.40   0.067% *  0.0317% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  17.30 +/- 3.21   0.257% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  25.54 +/- 6.83   0.111% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  34.70 +/- 6.66   0.045% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  33.40 +/- 7.79   0.050% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  26.79 +/- 6.24   0.091% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  21.35 +/- 4.88   0.205% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.62 +/- 2.95   0.095% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.92 +/- 3.21   0.081% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  29.90 +/- 5.08   0.051% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  23.16 +/- 3.69   0.102% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.50 +/- 3.06   0.067% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  29.36 +/- 5.96   0.061% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  27.00 +/- 3.02   0.050% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.832, support = 3.27, residual support = 45.1:
    * O T QB    MET   11 - HG2   MET   11   2.35 +/- 0.15  41.273% * 66.1248% (1.00  10.0 10.00   3.31  47.76) =  78.287%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.33 +/- 0.15  42.119% * 14.0193% (0.21  10.0 10.00   3.37  45.21) =  16.938%  kept
        T QG    GLU-  15 - HB2   GLU-  14   4.96 +/- 1.05   9.173% * 17.9811% (0.27   1.0 10.00   2.37   1.63) =   4.732%  kept
        T QB    MET   11 - HB2   GLU-  14   8.71 +/- 1.90   2.223% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.016%
        T QG    GLU-  15 - HG2   MET   11  11.35 +/- 2.44   1.028% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.014%
        T QG    GLU-  14 - HG2   MET   11   9.28 +/- 1.50   0.934% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   GLU-  36 - HG2   MET   11  20.65 +/- 5.48   0.265% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HB2   GLU-  14  16.42 +/- 5.61   0.271% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB2   ARG+  54  27.51 +/- 6.14   0.087% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  27.81 +/- 7.36   0.207% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.66 +/- 4.23   0.104% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  13.95 +/- 2.47   0.274% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.43 +/- 4.91   0.066% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  15.98 +/- 3.53   0.191% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.78 +/- 4.35   0.063% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.04 +/- 3.74   0.045% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  20.65 +/- 3.73   0.079% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.73 +/- 2.07   0.214% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  32.77 +/- 4.93   0.028% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  15.25 +/- 3.50   0.274% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.72 +/- 2.17   0.314% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  23.77 +/- 6.93   0.095% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  35.17 +/- 5.98   0.021% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  30.29 +/- 5.36   0.025% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  27.82 +/- 6.59   0.045% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  33.67 +/- 3.86   0.017% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  18.20 +/- 3.27   0.138% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.45 +/- 3.40   0.112% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.38 +/- 5.07   0.030% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.12 +/- 3.96   0.037% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  30.26 +/- 5.42   0.028% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  20.54 +/- 5.05   0.163% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.42 +/- 4.09   0.056% *  0.0038% (0.06   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 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 = 3.76, residual support = 47.1:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.186% * 72.5786% (1.00  10.0 10.00   4.00  47.76) =  73.837%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.186% * 25.7103% (0.35  10.0 10.00   3.10  45.21) =  26.156%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.46 +/- 1.35   0.274% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   MET   11 - HB2   GLU-  14  10.46 +/- 1.58   0.313% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HG2   MET   11  26.81 +/- 6.23   0.025% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  23.36 +/- 4.74   0.043% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  31.12 +/- 7.67   0.028% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  27.84 +/- 4.90   0.019% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  21.40 +/- 4.90   0.051% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  28.25 +/- 5.29   0.020% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  11.48 +/- 1.85   0.254% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.81 +/- 3.39   0.162% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.77 +/- 4.17   0.039% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  19.37 +/- 3.61   0.053% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.87 +/- 2.86   0.075% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  25.13 +/- 4.15   0.025% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  15.41 +/- 3.79   0.153% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.07 +/- 2.09   0.046% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  35.18 +/- 5.81   0.009% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  30.37 +/- 5.10   0.014% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  23.48 +/- 3.20   0.025% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.848, support = 3.82, residual support = 46.5:
    * O T HA    MET   11 - HG3   MET   11   3.25 +/- 0.62  33.081% * 80.7162% (1.00  10.0 10.00   4.00  47.76) =  81.170%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.77 +/- 0.24  45.819% * 11.7811% (0.15  10.0 10.00   3.09  45.21) =  16.409%  kept
          HA    ALA   12 - HG3   MET   11   5.21 +/- 1.19  12.668% *  6.2184% (0.53   1.0  1.00   2.93  11.90) =   2.395%  kept
        T HA    GLU-  14 - HG3   MET   11  10.27 +/- 1.43   1.195% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.012%
        T HA    MET   11 - HB3   GLU-  14  10.24 +/- 1.35   1.062% *  0.2866% (0.36   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA   12 - HB3   GLU-  14   7.15 +/- 1.14   3.335% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - HG3   MET   11  28.17 +/- 6.05   0.173% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  30.56 +/- 6.42   0.147% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  26.75 +/- 5.29   0.113% *  0.0805% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  20.52 +/- 4.91   0.210% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  29.44 +/- 7.22   0.165% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  29.00 +/- 7.22   0.488% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  22.76 +/- 4.73   0.201% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  16.07 +/- 3.57   0.360% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  21.78 +/- 3.86   0.125% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  30.58 +/- 6.67   0.126% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  33.19 +/- 8.32   0.112% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  35.95 +/- 6.42   0.040% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  26.00 +/- 5.04   0.083% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  34.58 +/- 6.75   0.050% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  25.31 +/- 6.72   0.113% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  26.53 +/- 6.62   0.137% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  29.68 +/- 5.04   0.062% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  22.92 +/- 3.91   0.134% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.841, support = 3.26, residual support = 45.3:
    * O T QB    MET   11 - HG3   MET   11   2.42 +/- 0.14  42.979% * 67.3911% (1.00  10.0 10.00   3.31  47.76) =  79.781%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.43 +/- 0.13  42.528% * 13.5457% (0.20  10.0 10.00   3.26  45.21) =  15.868%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.03 +/- 1.16   9.008% * 17.3737% (0.26   1.0 10.00   2.23   1.63) =   4.311%  kept
        T QG    GLU-  15 - HG3   MET   11  11.38 +/- 2.63   1.322% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.018%
        T QG    GLU-  14 - HG3   MET   11   9.36 +/- 1.56   1.068% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.011%
        T QB    MET   11 - HB3   GLU-  14   8.69 +/- 1.49   1.398% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   GLU-  36 - HG3   MET   11  20.85 +/- 5.18   0.220% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HB3   GLU-  14  16.12 +/- 5.46   0.360% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HG3   MET   11  20.52 +/- 4.30   0.118% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  25.22 +/- 5.13   0.070% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  27.74 +/- 7.54   0.168% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  15.66 +/- 3.56   0.240% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  20.43 +/- 3.77   0.099% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  32.62 +/- 5.17   0.027% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  29.91 +/- 5.50   0.031% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  23.54 +/- 6.78   0.106% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  34.89 +/- 6.28   0.022% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  27.53 +/- 6.72   0.050% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  28.20 +/- 5.03   0.042% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.94 +/- 3.99   0.048% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  30.08 +/- 5.37   0.035% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  23.26 +/- 4.03   0.062% *  0.0037% (0.05   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 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.76, residual support = 47.1:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.493% * 71.8618% (1.00  10.0 10.00   4.00  47.76) =  73.837%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.493% * 25.4564% (0.35  10.0 10.00   3.10  45.21) =  26.156%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.46 +/- 1.58   0.315% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   MET   11 - HB3   GLU-  14  10.46 +/- 1.35   0.275% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG3   MET   11  33.78 +/- 7.72   0.024% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  27.96 +/- 6.52   0.021% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  31.12 +/- 7.67   0.028% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  20.92 +/- 5.87   0.071% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  17.71 +/- 4.66   0.149% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  27.84 +/- 4.90   0.019% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  30.40 +/- 5.99   0.025% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  24.60 +/- 4.23   0.027% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  29.85 +/- 4.36   0.013% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  26.07 +/- 4.26   0.021% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  34.41 +/- 6.02   0.010% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  29.27 +/- 3.89   0.016% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.881, support = 3.36, residual support = 46.4:
    * O T HA    MET   11 - QB    MET   11   2.38 +/- 0.17  36.689% * 74.9869% (1.00  10.0 10.00   3.36  47.76) =  85.850%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.47 +/- 0.57  37.385% * 10.0044% (0.13  10.0 10.00   3.55  45.21) =  11.671%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.90 +/- 0.70   6.447% *  7.4321% (0.10   1.0 10.00   2.53   1.63) =   1.495%  kept
          HA    ALA   12 - QB    MET   11   4.26 +/- 0.35   6.725% *  4.5657% (0.53   1.0  1.00   2.31  11.90) =   0.958%  kept
        T HA    GLU-  14 - QB    MET   11   8.55 +/- 1.14   0.955% *  0.3083% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T HA    MET   11 - QG    GLU-  14   9.22 +/- 1.15   0.752% *  0.2433% (0.32   1.0 10.00   0.02   0.02) =   0.006%
        T HA    MET   11 - QG    GLU-  15  11.18 +/- 1.57   0.456% *  0.1808% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASP-  44 - QB    MET   11  23.45 +/- 4.39   0.070% *  0.7482% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  79 - QB    MET   11  25.88 +/- 6.19   0.113% *  0.4245% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.70 +/- 0.80   2.097% *  0.0128% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  19.34 +/- 4.27   0.128% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  15   8.97 +/- 1.97   2.205% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  19.53 +/- 3.32   0.077% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG    GLU-  15  25.86 +/- 7.44   1.413% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  24.56 +/- 5.69   0.175% *  0.0692% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  13.12 +/- 5.00   0.905% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.58 +/- 4.26   0.184% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  26.94 +/- 5.41   0.077% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.52 +/- 4.86   0.335% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  27.48 +/- 6.77   0.191% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  14.79 +/- 3.06   0.241% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.01 +/- 1.52   0.582% *  0.0045% (0.06   1.0  1.00   0.02   1.01) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.55 +/- 4.13   0.102% *  0.0225% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.75 +/- 6.08   0.167% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  31.60 +/- 5.53   0.025% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.52 +/- 3.87   0.031% *  0.0529% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.72 +/- 5.32   0.090% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  29.34 +/- 6.66   0.056% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.13 +/- 5.71   0.053% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.07 +/- 4.40   0.052% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  22.25 +/- 5.85   0.089% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  30.32 +/- 5.93   0.031% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  20.68 +/- 4.96   0.110% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  18.39 +/- 4.71   0.179% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  23.35 +/- 5.15   0.073% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  23.69 +/- 6.12   0.077% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.27 +/- 1.85   0.089% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  16.53 +/- 5.17   0.198% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.05 +/- 1.91   0.046% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.37 +/- 4.40   0.037% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  20.47 +/- 3.37   0.070% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  27.10 +/- 2.84   0.026% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.80 +/- 4.40   0.032% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  28.92 +/- 3.53   0.021% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  20.55 +/- 2.89   0.068% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  26.11 +/- 4.95   0.035% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  35.21 +/- 3.98   0.012% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  27.57 +/- 3.21   0.026% *  0.0014% (0.02   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 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 = 0.809, support = 3.29, residual support = 45.3:
    * O T HG2   MET   11 - QB    MET   11   2.35 +/- 0.15  41.461% * 62.8007% (1.00  10.0 10.00   3.31  47.76) =  72.222%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.33 +/- 0.15  42.312% * 20.3350% (0.32  10.0 10.00   3.37  45.21) =  23.866%  kept
        T HB2   GLU-  14 - QG    GLU-  15   4.96 +/- 1.05   9.215% * 15.1066% (0.24   1.0 10.00   2.37   1.63) =   3.861%  kept
        T HB2   GLU-  14 - QB    MET   11   8.71 +/- 1.90   2.233% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.039%
        T HG2   MET   11 - QG    GLU-  14   9.28 +/- 1.50   0.939% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   MET   11 - QG    GLU-  15  11.35 +/- 2.44   1.032% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  14 - HG3   GLU-  36  16.42 +/- 5.61   0.272% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HG3   GLU-  36  20.65 +/- 5.48   0.266% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - QB    MET   11  27.51 +/- 6.14   0.087% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  18.06 +/- 5.06   0.234% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  29.81 +/- 6.10   0.066% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  24.63 +/- 5.26   0.060% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  24.78 +/- 4.35   0.063% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  29.13 +/- 3.39   0.027% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  26.79 +/- 4.82   0.072% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  16.10 +/- 4.13   0.320% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15  15.60 +/- 4.35   0.362% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  21.99 +/- 3.93   0.070% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.50 +/- 4.40   0.016% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  25.04 +/- 3.74   0.046% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  21.78 +/- 2.84   0.067% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  18.28 +/- 4.35   0.385% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  26.56 +/- 3.68   0.040% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  26.78 +/- 4.11   0.038% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  23.32 +/- 3.83   0.058% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  23.37 +/- 4.44   0.066% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  30.26 +/- 5.17   0.032% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  33.67 +/- 3.86   0.017% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  25.71 +/- 4.12   0.057% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.30 +/- 3.31   0.035% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.35 +/- 2.66   0.026% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.36 +/- 1.99   0.025% *  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 = 0.817, support = 3.26, residual support = 45.5:
    * O T HG3   MET   11 - QB    MET   11   2.42 +/- 0.14  41.623% * 64.2177% (1.00  10.0 10.00   3.31  47.76) =  73.962%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.43 +/- 0.13  41.185% * 19.7139% (0.31  10.0 10.00   3.26  45.21) =  22.467%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.03 +/- 1.16   8.723% * 14.6452% (0.23   1.0 10.00   2.23   1.63) =   3.535%  kept
        T HB3   GLU-  14 - QB    MET   11   8.69 +/- 1.49   1.354% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.023%
        T HG3   MET   11 - QG    GLU-  14   9.36 +/- 1.56   1.034% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   MET   11 - QG    GLU-  15  11.38 +/- 2.63   1.280% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   GLU-  14 - HG3   GLU-  36  16.12 +/- 5.46   0.349% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HG3   GLU-  36  20.85 +/- 5.18   0.213% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.67 +/- 4.87   0.386% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  26.93 +/- 5.63   0.093% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  18.38 +/- 4.16   0.182% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  24.49 +/- 4.67   0.077% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  13.80 +/- 4.08   0.667% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  27.03 +/- 4.48   0.044% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  23.39 +/- 5.30   0.075% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  16.78 +/- 2.97   0.172% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.27 +/- 2.76   0.455% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.31 +/- 3.44   0.111% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  12.45 +/- 3.26   0.526% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.21 +/- 2.19   0.205% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.76 +/- 4.55   0.126% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.15 +/- 2.12   0.372% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.66 +/- 3.25   0.112% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.52 +/- 1.55   0.482% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  30.81 +/- 4.90   0.028% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.91 +/- 1.95   0.070% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  28.07 +/- 3.78   0.033% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  31.13 +/- 3.29   0.024% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.01  95.935% * 99.1918% (0.82  10.0 10.00   2.00  12.47) =  99.997%  kept
          HG3   LYS+ 102 - HA    ALA   12  28.08 +/- 6.65   0.655% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    ALA   12  19.22 +/- 5.30   1.167% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ALA   12  18.86 +/- 5.32   0.491% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  19.33 +/- 6.25   0.443% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    ALA   12  15.88 +/- 3.00   0.311% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  20.97 +/- 3.92   0.277% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  27.22 +/- 8.51   0.301% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  20.40 +/- 3.23   0.137% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  27.65 +/- 4.47   0.079% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  29.96 +/- 5.11   0.042% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  26.45 +/- 6.35   0.105% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  27.94 +/- 4.26   0.055% *  0.0142% (0.12   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 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.817, support = 2.01, residual support = 12.5:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.01  82.277% * 95.6453% (0.82  10.0 10.00   2.00  12.47) =  99.320%  kept
          HA    MET   11 - QB    ALA   12   3.92 +/- 0.20  13.525% *  3.9565% (0.24   1.0  1.00   2.88  11.90) =   0.675%  kept
          HA    GLU-  14 - QB    ALA   12   6.38 +/- 0.64   3.465% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU  104 - QB    ALA   12  22.48 +/- 4.51   0.199% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  26.94 +/- 5.40   0.128% *  0.0989% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  26.42 +/- 4.98   0.128% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  20.49 +/- 3.30   0.123% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  23.74 +/- 4.25   0.089% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  28.10 +/- 5.03   0.066% *  0.0193% (0.17   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 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 = 0.877, support = 2.09, residual support = 12.1:
    * O T QB    SER   13 - HA    SER   13   2.40 +/- 0.15  52.173% * 63.6119% (1.00  10.0 10.00   1.93   6.46) =  75.187%  kept
      O T HB3   SER   37 - HA    SER   37   2.81 +/- 0.21  33.679% * 32.1546% (0.51  10.0 10.00   2.58  29.37) =  24.534%  kept
          HB    THR   39 - HA    SER   37   5.53 +/- 0.93   5.779% *  2.0271% (0.53   1.0  1.00   1.20   4.44) =   0.265%  kept
        T HB3   SER   37 - HA    SER   13  16.25 +/- 4.10   0.302% *  0.6017% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T QB    SER   13 - HA    SER   37  15.11 +/- 3.73   0.431% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HA    ILE   89 - HA    THR   46   9.11 +/- 2.21   3.688% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QB    SER   13 - HA    THR   46  23.51 +/- 3.39   0.070% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.26 +/- 1.55   0.054% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46  10.02 +/- 2.52   1.426% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  16.62 +/- 3.72   0.264% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.78 +/- 1.64   0.332% *  0.0234% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.82 +/- 1.82   0.700% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.59 +/- 2.99   0.365% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.12 +/- 1.49   0.186% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  25.13 +/- 5.64   0.083% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.49 +/- 1.71   0.079% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.43 +/- 6.58   0.050% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.86 +/- 4.22   0.031% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.89 +/- 4.84   0.056% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.41 +/- 3.33   0.066% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.82 +/- 1.63   0.036% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  21.16 +/- 3.22   0.094% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  30.72 +/- 4.74   0.032% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  33.38 +/- 3.04   0.022% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.88, support = 2.1, residual support = 12.3:
    * O T HA    SER   13 - QB    SER   13   2.40 +/- 0.15  50.599% * 63.8850% (1.00  10.0 10.00   1.93   6.46) =  74.504%  kept
      O T HA    SER   37 - HB3   SER   37   2.81 +/- 0.21  32.694% * 33.8056% (0.53  10.0 10.00   2.58  29.37) =  25.474%  kept
        T HA    SER   13 - HB3   SER   37  16.25 +/- 4.10   0.295% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  15 - QB    SER   13   6.94 +/- 0.87   2.742% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.004%
        T HA    SER   37 - QB    SER   13  15.11 +/- 3.73   0.418% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HB3   SER   37   8.10 +/- 1.20   1.937% *  0.0565% (0.88   1.0  1.00   0.02   0.52) =   0.003%
          HA    GLU-  15 - HB3   SER   37  13.72 +/- 6.49   1.776% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QB    SER   13   8.62 +/- 1.87   2.006% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HB3   SER   37   6.27 +/- 0.53   3.173% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  23.51 +/- 3.39   0.068% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QB    SER   13  16.24 +/- 3.21   0.362% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.26 +/- 1.55   0.053% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  16.08 +/- 5.76   0.538% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  15.71 +/- 4.92   0.951% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  22.32 +/- 7.95   0.552% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.73 +/- 4.26   0.148% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  10.44 +/- 2.24   0.996% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.27 +/- 1.95   0.062% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  24.73 +/- 7.61   0.162% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  18.27 +/- 4.36   0.351% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  23.32 +/- 4.16   0.080% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.71 +/- 1.96   0.041% *  0.0149% (0.23   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 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 = 0.871, support = 3.28, residual support = 45.7:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.72 +/- 0.17  55.273% * 70.8449% (1.00  10.0 10.00   3.09  45.21) =  78.862%  kept
      O T HG2   MET   11 - HA    MET   11   3.32 +/- 0.75  37.784% * 27.7398% (0.39  10.0 10.00   4.00  47.76) =  21.108%  kept
        T HG2   MET   11 - HA    GLU-  14  10.23 +/- 1.46   1.266% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.018%
        T HB2   GLU-  14 - HA    MET   11  10.23 +/- 1.73   1.819% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.010%
          QB    GLN   32 - HA    GLU-  14  13.47 +/- 4.64   2.183% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  17.00 +/- 4.29   0.567% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.02 +/- 4.40   0.087% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.56 +/- 3.61   0.114% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.12 +/- 4.06   0.055% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  31.06 +/- 6.62   0.067% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.40 +/- 3.90   0.094% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  27.97 +/- 6.24   0.072% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.47 +/- 5.53   0.228% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  17.96 +/- 4.17   0.294% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  33.61 +/- 6.50   0.043% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  30.23 +/- 5.33   0.054% *  0.0104% (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 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.39, residual support = 40.3:
    * O T QG    GLU-  14 - HA    GLU-  14   2.47 +/- 0.57  43.802% * 45.0668% (1.00  10.0 10.00   3.55  45.21) =  72.055%  kept
      O T QB    MET   11 - HA    MET   11   2.38 +/- 0.17  43.163% * 10.0127% (0.22  10.0 10.00   3.36  47.76) =  15.775%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.90 +/- 0.70   7.652% * 43.4925% (0.97   1.0 10.00   2.53   1.63) =  12.147%  kept
        T QB    MET   11 - HA    GLU-  14   8.55 +/- 1.14   1.127% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.010%
        T QG    GLU-  14 - HA    MET   11   9.22 +/- 1.15   0.889% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HA    MET   11  11.18 +/- 1.57   0.538% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  44 - HA    GLU-  14  19.81 +/- 3.32   0.090% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU-  14  13.41 +/- 4.82   2.005% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLU-  14  14.95 +/- 3.25   0.243% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  25.09 +/- 4.30   0.051% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  22.31 +/- 3.89   0.068% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  20.44 +/- 3.52   0.083% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  28.00 +/- 4.63   0.033% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  27.41 +/- 6.69   0.059% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  18.70 +/- 3.99   0.131% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  32.38 +/- 4.65   0.024% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  29.71 +/- 4.40   0.025% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  34.81 +/- 5.30   0.017% *  0.0039% (0.09   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 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.913, support = 3.17, residual support = 45.1:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.72 +/- 0.17  47.164% * 80.7243% (1.00  10.0 10.00   3.09  45.21) =  89.380%  kept
      O T HA    MET   11 - HG2   MET   11   3.32 +/- 0.75  32.612% * 12.4277% (0.15  10.0 10.00   4.00  47.76) =   9.515%  kept
          HA    ALA   12 - HG2   MET   11   5.23 +/- 0.95   9.034% *  4.3285% (0.37   1.0  1.00   2.92  11.90) =   0.918%  kept
          HA    ALA   12 - HB2   GLU-  14   7.19 +/- 1.62   5.360% *  1.3202% (0.98   1.0  1.00   0.33   0.02) =   0.166%  kept
        T HA    MET   11 - HB2   GLU-  14  10.23 +/- 1.73   1.545% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.012%
        T HA    GLU-  14 - HG2   MET   11  10.23 +/- 1.46   1.079% *  0.3023% (0.37   1.0 10.00   0.02   0.02) =   0.008%
          HA    ASP-  86 - HB2   GLU-  14  29.26 +/- 7.10   0.320% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HB2   ARG+  54  27.02 +/- 4.40   0.074% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  24.07 +/- 4.94   0.123% *  0.0646% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  22.92 +/- 4.91   0.228% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  22.00 +/- 3.84   0.124% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  29.42 +/- 6.52   0.151% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  31.06 +/- 6.62   0.057% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.81 +/- 6.61   0.103% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  28.62 +/- 6.34   0.234% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.23 +/- 5.03   0.083% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  25.20 +/- 3.97   0.178% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  28.42 +/- 6.23   0.225% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  34.70 +/- 6.66   0.049% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.46 +/- 1.86   0.311% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  17.30 +/- 3.21   0.287% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.50 +/- 3.06   0.075% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  29.36 +/- 5.96   0.067% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  26.96 +/- 5.15   0.068% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  30.75 +/- 6.29   0.061% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.92 +/- 3.21   0.090% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.10 +/- 6.24   0.031% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.62 +/- 2.95   0.105% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  34.19 +/- 5.97   0.047% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  22.99 +/- 3.25   0.115% *  0.0016% (0.02   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 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 = 0.879, support = 3.21, residual support = 39.1:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.33 +/- 0.15  42.182% * 45.4322% (1.00  10.0 10.00   3.37  45.21) =  70.500%  kept
        T QG    GLU-  15 - HB2   GLU-  14   4.96 +/- 1.05   9.187% * 43.8452% (0.97   1.0 10.00   2.37   1.63) =  14.818%  kept
      O T QB    MET   11 - HG2   MET   11   2.35 +/- 0.15  41.335% *  9.6322% (0.21  10.0 10.00   3.31  47.76) =  14.647%  kept
        T QB    MET   11 - HB2   GLU-  14   8.71 +/- 1.90   2.226% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.021%
        T QG    GLU-  15 - HG2   MET   11  11.35 +/- 2.44   1.029% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  14 - HG2   MET   11   9.28 +/- 1.50   0.936% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLU-  29 - HB2   GLU-  14  13.50 +/- 4.98   0.977% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE  119 - HB2   ARG+  54  13.95 +/- 2.47   0.274% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  15.98 +/- 3.53   0.191% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.78 +/- 4.35   0.063% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  20.65 +/- 3.73   0.080% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  27.51 +/- 6.14   0.087% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.04 +/- 3.74   0.045% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.42 +/- 4.09   0.056% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.66 +/- 4.23   0.104% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.73 +/- 2.07   0.214% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.38 +/- 5.07   0.031% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.43 +/- 4.91   0.066% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  18.20 +/- 3.27   0.138% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.45 +/- 3.40   0.112% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  18.74 +/- 3.92   0.129% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  14.56 +/- 3.77   0.382% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  27.82 +/- 6.59   0.045% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  32.77 +/- 4.93   0.028% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.43 +/- 5.07   0.027% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.84 +/- 4.69   0.037% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  35.24 +/- 5.71   0.020% *  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 = 3.4, residual support = 40.2:
    * O T HA    GLU-  14 - QG    GLU-  14   2.47 +/- 0.57  38.041% * 48.1402% (1.00  10.0 10.00   3.55  45.21) =  77.536%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.90 +/- 0.70   6.561% * 42.3561% (0.88   1.0 10.00   2.53   1.63) =  11.766%  kept
      O T HA    MET   11 - QB    MET   11   2.38 +/- 0.17  37.341% *  6.4226% (0.13  10.0 10.00   3.36  47.76) =  10.154%  kept
          HA    ALA   12 - QB    MET   11   4.26 +/- 0.35   6.845% *  1.7721% (0.32   1.0  1.00   2.31  11.90) =   0.514%  kept
        T HA    GLU-  14 - QB    MET   11   8.55 +/- 1.14   0.972% *  0.1562% (0.32   1.0 10.00   0.02   0.02) =   0.006%
        T HA    MET   11 - QG    GLU-  14   9.22 +/- 1.15   0.765% *  0.1979% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HA    ALA   12 - QG    GLU-  14   6.70 +/- 0.80   2.134% *  0.0472% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   12 - QG    GLU-  15   8.97 +/- 1.97   2.245% *  0.0415% (0.86   1.0  1.00   0.02   0.02) =   0.004%
        T HA    MET   11 - QG    GLU-  15  11.18 +/- 1.57   0.464% *  0.1741% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASP-  86 - QG    GLU-  15  25.86 +/- 7.44   1.432% *  0.0420% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ASP-  44 - QG    GLU-  15  19.34 +/- 4.27   0.130% *  0.1590% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  19.53 +/- 3.32   0.079% *  0.1807% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG    GLU-  14  25.75 +/- 6.08   0.169% *  0.0477% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  25.15 +/- 6.74   1.109% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  20.33 +/- 4.37   0.156% *  0.0339% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  23.45 +/- 4.39   0.071% *  0.0586% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.52 +/- 4.86   0.341% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  21.63 +/- 4.26   0.083% *  0.0385% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  27.48 +/- 6.77   0.193% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  25.40 +/- 6.02   0.124% *  0.0125% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.72 +/- 5.32   0.091% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  20.55 +/- 4.13   0.104% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.13 +/- 5.71   0.054% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.07 +/- 4.40   0.053% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  25.31 +/- 5.36   0.097% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  24.56 +/- 5.69   0.178% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  30.32 +/- 5.93   0.032% *  0.0155% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  26.94 +/- 5.41   0.078% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  31.60 +/- 5.53   0.026% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  29.85 +/- 5.41   0.032% *  0.0021% (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 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 = 0.841, support = 3.14, residual support = 40.3:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.43 +/- 0.13  42.326% * 45.1588% (1.00  10.0 10.00   3.26  45.21) =  66.790%  kept
      O T HG3   MET   11 - QB    MET   11   2.42 +/- 0.14  42.776% * 13.8631% (0.31  10.0 10.00   3.31  47.76) =  20.721%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.03 +/- 1.16   8.965% * 39.7329% (0.88   1.0 10.00   2.23   1.63) =  12.447%  kept
        T HG3   MET   11 - QG    GLU-  15  11.38 +/- 2.63   1.316% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   MET   11 - QG    GLU-  14   9.36 +/- 1.56   1.063% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HB3   GLU-  14 - QB    MET   11   8.69 +/- 1.49   1.391% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.007%
          HB3   MET   96 - QG    GLU-  15  19.67 +/- 4.87   0.397% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  13.80 +/- 4.08   0.686% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  26.93 +/- 5.63   0.095% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.21 +/- 2.19   0.211% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.31 +/- 3.44   0.114% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  27.03 +/- 4.48   0.046% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.76 +/- 4.55   0.130% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  18.38 +/- 4.16   0.187% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.66 +/- 3.25   0.115% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  24.49 +/- 4.67   0.079% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  23.39 +/- 5.30   0.077% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  30.81 +/- 4.90   0.029% *  0.0023% (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 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 = 0.995, support = 2.29, residual support = 9.25:
    * O T QG    GLU-  15 - HA    GLU-  15   2.43 +/- 0.47  67.161% * 49.8424% (1.00  10.0 10.00   2.24  10.44) =  86.480%  kept
        T QG    GLU-  14 - HA    GLU-  15   5.02 +/- 0.53  10.831% * 48.1014% (0.97   1.0 10.00   2.59   1.63) =  13.460%  kept
        T QG    GLU-  15 - HA    LEU   40  14.17 +/- 4.23   2.294% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.024%
        T QB    MET   11 - HA    GLU-  15  10.70 +/- 1.70   1.408% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.013%
        T QG    GLU-  14 - HA    LEU   40  15.57 +/- 2.76   0.423% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PHE   72 - HA    LEU   40   7.79 +/- 1.64   4.267% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.004%
        T QB    MET   11 - HA    ASN   35  17.99 +/- 5.47   2.066% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.004%
        T QG    GLU-  14 - HA    ASN   35  14.82 +/- 4.17   1.101% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QG    GLU-  15 - HA    ASN   35  13.75 +/- 4.91   1.026% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    LEU   40  19.02 +/- 4.44   0.288% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    GLU-  15  14.01 +/- 4.92   1.060% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU-  15  13.36 +/- 4.56   3.858% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  12.67 +/- 1.17   0.728% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  19.04 +/- 4.33   0.270% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  16.49 +/- 3.99   0.374% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  13.26 +/- 2.60   0.817% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  21.74 +/- 1.44   0.117% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  27.41 +/- 5.52   0.089% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  21.07 +/- 3.10   0.128% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  14.82 +/- 1.72   0.384% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.59 +/- 1.52   0.207% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.44 +/- 0.54   0.669% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  22.51 +/- 2.31   0.119% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  25.64 +/- 2.40   0.072% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.93 +/- 3.92   0.114% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  28.81 +/- 5.20   0.066% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.09 +/- 3.15   0.062% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.04, residual support = 10.1:
    * O T QB    GLU-  15 - HA    GLU-  15   2.43 +/- 0.13  62.650% * 71.0406% (1.00  10.0 10.00   3.12  10.44) =  96.776%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.84 +/- 0.85   5.607% * 26.0900% (1.00   1.0 10.00   0.73   0.02) =   3.181%  kept
        T QB    GLU-  15 - HA    LEU   40  14.27 +/- 4.12   1.101% *  0.5745% (0.81   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   PRO   68 - HA    GLU-  15  16.51 +/- 5.11   0.691% *  0.5688% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   PRO   68 - HA    LEU   40  12.59 +/- 2.46   0.771% *  0.4600% (0.65   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   GLN   17 - HA    LEU   40  15.78 +/- 3.68   0.347% *  0.5745% (0.81   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLU-  15   8.55 +/- 1.83   2.117% *  0.0402% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HA    LEU   40   8.10 +/- 2.03   4.015% *  0.0128% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    LEU   40  10.97 +/- 2.13   1.581% *  0.0236% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLU-  15  16.77 +/- 4.35   0.496% *  0.0672% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    ASN   35   8.90 +/- 3.81   9.142% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  15  12.33 +/- 3.76   0.889% *  0.0292% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    LEU   40  11.99 +/- 2.14   0.835% *  0.0280% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    LEU   40  10.22 +/- 1.71   1.651% *  0.0101% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  14.14 +/- 2.70   0.485% *  0.0325% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  16.62 +/- 4.24   0.434% *  0.0346% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  19.60 +/- 6.21   0.906% *  0.0158% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  12.66 +/- 3.66   0.920% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  14.02 +/- 4.89   0.686% *  0.0132% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.49 +/- 1.94   0.145% *  0.0543% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  18.59 +/- 2.94   0.194% *  0.0372% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  16.76 +/- 4.05   0.490% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  23.59 +/- 2.66   0.083% *  0.0569% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  24.29 +/- 3.92   0.093% *  0.0460% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.06 +/- 0.91   0.768% *  0.0054% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  16.57 +/- 3.81   0.590% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  17.16 +/- 3.86   0.258% *  0.0132% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  29.22 +/- 4.04   0.048% *  0.0704% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  18.37 +/- 4.28   0.275% *  0.0101% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  15.47 +/- 2.74   0.310% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.28 +/- 0.69   0.915% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.34 +/- 1.21   0.164% *  0.0125% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  22.38 +/- 4.05   0.139% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  24.34 +/- 2.50   0.073% *  0.0085% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.95 +/- 2.41   0.038% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  24.65 +/- 4.32   0.094% *  0.0023% (0.03   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 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.983, support = 2.28, residual support = 9.3:
    * O T HA    GLU-  15 - QG    GLU-  15   2.43 +/- 0.47  46.956% * 48.4122% (1.00  10.0 10.00   2.24  10.44) =  86.002%  kept
        T HA    GLU-  15 - QG    GLU-  14   5.02 +/- 0.53   7.118% * 42.5954% (0.88   1.0 10.00   2.59   1.63) =  11.471%  kept
          HA    SER   13 - QG    GLU-  14   4.78 +/- 0.62   9.530% *  5.4471% (0.88   1.0  1.00   2.56   6.63) =   1.964%  kept
          HA    SER   13 - QG    GLU-  15   6.75 +/- 1.33   7.342% *  1.8573% (1.00   1.0  1.00   0.77   0.02) =   0.516%  kept
        T HA    LEU   40 - QG    GLU-  15  14.17 +/- 4.23   1.129% *  0.4580% (0.95   1.0 10.00   0.02   0.02) =   0.020%
        T HA    GLU-  15 - QB    MET   11  10.70 +/- 1.70   0.955% *  0.1167% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU   40 - QG    GLU-  14  15.57 +/- 2.76   0.263% *  0.4029% (0.83   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ASN   35 - QG    GLU-  15  13.75 +/- 4.91   0.665% *  0.1078% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASN   35 - QG    GLU-  14  14.82 +/- 4.17   0.707% *  0.0948% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  15   7.31 +/- 0.40   2.400% *  0.0274% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - QG    GLU-  15  13.03 +/- 6.05   2.113% *  0.0274% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - QG    GLU-  15  16.12 +/- 5.15   8.155% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    MET   11   6.04 +/- 0.74   4.523% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QG    GLU-  14   7.72 +/- 1.13   1.843% *  0.0241% (0.50   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASN   35 - QB    MET   11  17.99 +/- 5.47   0.989% *  0.0260% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - QB    MET   11  19.02 +/- 4.44   0.181% *  0.1104% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG    GLU-  14  14.75 +/- 4.08   0.562% *  0.0241% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    MET   11  11.98 +/- 3.73   1.904% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  19.54 +/- 2.99   0.160% *  0.0483% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  19.53 +/- 4.15   0.159% *  0.0425% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  22.06 +/- 7.28   0.294% *  0.0145% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  22.59 +/- 4.76   0.092% *  0.0313% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  20.84 +/- 6.15   0.171% *  0.0165% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  22.31 +/- 4.16   0.095% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  17.26 +/- 4.77   0.394% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  24.49 +/- 8.72   0.455% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.36 +/- 3.85   0.260% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  22.26 +/- 4.96   0.090% *  0.0116% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  22.78 +/- 2.41   0.079% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.90 +/- 3.39   0.077% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  26.06 +/- 4.93   0.072% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  21.11 +/- 5.37   0.208% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  25.66 +/- 5.26   0.059% *  0.0029% (0.06   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 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 = 85.1:
    * O T HB2   GLN   17 - HA    GLN   17   2.66 +/- 0.24  77.114% * 89.8065% (1.00  10.0 10.00   4.17  85.76) =  99.207%  kept
        T QB    GLU-  15 - HA    GLN   17   6.63 +/- 0.45   5.504% *  9.0594% (1.00   1.0 10.00   0.20   0.02) =   0.714%  kept
        T HB3   PRO   68 - HA    GLN   17  14.54 +/- 6.31   7.019% *  0.7191% (0.80   1.0 10.00   0.02   0.02) =   0.072%
          HB    ILE   19 - HA    GLN   17   8.18 +/- 0.46   3.031% *  0.0508% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    GLN   17  14.57 +/- 5.52   2.709% *  0.0437% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HA    GLN   17  16.60 +/- 4.30   0.798% *  0.0850% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLN   17  12.61 +/- 3.72   1.468% *  0.0369% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLN   17  13.10 +/- 3.46   1.103% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  22.03 +/- 4.02   0.209% *  0.0581% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  26.38 +/- 4.50   0.123% *  0.0890% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  19.56 +/- 4.43   0.575% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  20.67 +/- 6.17   0.347% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.7:
    * O T QG    GLN   17 - HA    GLN   17   2.74 +/- 0.51  91.355% * 98.5118% (0.76  10.0 10.00   4.31  85.76) =  99.951%  kept
        T HB    VAL   70 - HA    GLN   17  12.60 +/- 5.21   3.695% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.044%
          HB2   MET   96 - HA    GLN   17  18.84 +/- 5.85   2.050% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  25 - HA    GLN   17  16.23 +/- 3.94   0.922% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLN   17  20.04 +/- 7.62   0.893% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLN   17  19.57 +/- 5.49   0.586% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLN   17  20.48 +/- 3.91   0.500% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.202, support = 3.66, residual support = 51.6:
    * O T HA    GLN   17 - HB2   GLN   17   2.66 +/- 0.24  32.026% * 51.8569% (0.24  10.0 10.00   4.17  85.76) =  54.797%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.43 +/- 0.13  40.170% * 32.9535% (0.15  10.0 10.00   3.12  10.44) =  43.676%  kept
        T HA    GLU-  15 - HB2   GLN   17   5.84 +/- 0.85   3.707% * 10.7822% (0.14   1.0 10.00   0.73   0.02) =   1.319%  kept
        T HA    GLN   17 - HB3   PRO   68  14.54 +/- 6.31   2.810% *  1.3011% (0.61   1.0 10.00   0.02   0.02) =   0.121%  kept
        T HA    GLN   17 - QB    GLU-  15   6.63 +/- 0.45   2.150% *  0.5821% (0.27   1.0 10.00   0.02   0.02) =   0.041%
        T HA    GLU-  15 - HB3   PRO   68  16.51 +/- 5.11   0.440% *  0.7366% (0.34   1.0 10.00   0.02   0.02) =   0.011%
          HA    SER   13 - HB2   GLN   17   8.26 +/- 2.70   9.970% *  0.0294% (0.14   1.0  1.00   0.02   0.02) =   0.010%
        T HA    LEU   40 - HB3   PRO   68  12.59 +/- 2.46   0.495% *  0.4883% (0.23   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LEU   40 - QB    GLU-  15  14.27 +/- 4.12   0.622% *  0.2185% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   13 - QB    GLU-  15   6.22 +/- 0.79   2.964% *  0.0330% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QB    GLU-  15  13.34 +/- 5.95   1.465% *  0.0582% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB3   PRO   68  17.78 +/- 4.67   0.609% *  0.0737% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB2   GLN   17  15.78 +/- 3.68   0.227% *  0.1946% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   PRO   68  15.84 +/- 3.26   0.282% *  0.1301% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   68  18.91 +/- 3.65   0.175% *  0.1290% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  13.51 +/- 1.44   0.265% *  0.0789% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QB    GLU-  15  16.53 +/- 4.27   0.397% *  0.0353% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  17.40 +/- 4.90   0.242% *  0.0519% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.50 +/- 2.03   0.182% *  0.0685% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  16.28 +/- 4.42   0.248% *  0.0315% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  17.10 +/- 3.85   0.212% *  0.0273% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  20.86 +/- 5.28   0.108% *  0.0514% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  22.48 +/- 4.71   0.082% *  0.0577% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  19.06 +/- 2.98   0.151% *  0.0306% (0.14   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 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.203, support = 4.23, residual support = 79.9:
    * O T QG    GLN   17 - HB2   GLN   17   2.36 +/- 0.13  75.058% * 38.7282% (0.18  10.0 10.00   4.48  85.76) =  93.052%  kept
        T HB    VAL   70 - HB3   PRO   68   7.27 +/- 1.02   3.397% * 51.5344% (0.51   1.0 10.00   0.97   1.01) =   5.604%  kept
        T QG    GLN   17 - QB    GLU-  15   5.47 +/- 0.93   7.816% *  4.3851% (0.21   1.0 10.00   0.20   0.02) =   1.097%  kept
        T QG    GLN   17 - HB3   PRO   68  13.43 +/- 5.34   5.353% *  0.9717% (0.46   1.0 10.00   0.02   0.02) =   0.166%  kept
        T HG2   GLU- 100 - HB3   PRO   68  17.33 +/- 4.08   0.486% *  0.8225% (0.39   1.0 10.00   0.02   0.02) =   0.013%
        T HB    VAL   70 - HB2   GLN   17  13.12 +/- 3.57   0.819% *  0.4233% (0.20   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   GLU-  25 - HB2   GLN   17  15.28 +/- 4.60   1.047% *  0.3278% (0.16   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   GLU-  25 - HB3   PRO   68  22.14 +/- 5.14   0.401% *  0.8225% (0.39   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   GLU- 100 - QB    GLU-  15  17.26 +/- 5.05   0.823% *  0.3680% (0.18   1.0 10.00   0.02   0.02) =   0.010%
        T HB    VAL   70 - QB    GLU-  15  13.82 +/- 3.35   0.631% *  0.4751% (0.23   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   GLU-  25 - QB    GLU-  15  15.54 +/- 3.64   0.678% *  0.3680% (0.18   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   GLU- 100 - HB2   GLN   17  19.86 +/- 4.75   0.243% *  0.3278% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   96 - QB    GLU-  15  19.35 +/- 4.99   0.858% *  0.0564% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HB3   PRO   68  16.80 +/- 1.54   0.226% *  0.1260% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   PRO   68  18.68 +/- 3.82   0.309% *  0.0720% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLN   17  18.97 +/- 4.99   0.407% *  0.0502% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   GLN   17  19.32 +/- 6.86   0.503% *  0.0287% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  17.70 +/- 3.26   0.320% *  0.0434% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  21.02 +/- 5.56   0.246% *  0.0322% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  20.87 +/- 3.47   0.181% *  0.0194% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.01 +/- 3.87   0.199% *  0.0173% (0.08   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 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 4.3, residual support = 85.4:
    * O T HA    GLN   17 - QG    GLN   17   2.74 +/- 0.51  50.085% * 98.3807% (0.76  10.0 10.00   4.31  85.76) =  99.560%  kept
          HA    GLU-  15 - QG    GLN   17   5.01 +/- 1.32  21.992% *  0.9245% (0.43   1.0  1.00   0.33   0.02) =   0.411%  kept
          HA    SER   13 - QG    GLN   17   7.22 +/- 2.40  12.586% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.014%
        T HA    GLN   17 - HB    VAL   70  12.60 +/- 5.21   1.959% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.008%
          HA    SER   37 - QG    GLN   17  15.78 +/- 4.71   0.874% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB    VAL   70   7.40 +/- 1.47   4.785% *  0.0122% (0.09   1.0  1.00   0.02   0.62) =   0.001%
          HA    VAL   42 - QG    GLN   17  14.88 +/- 4.65   0.941% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG    GLN   17  18.91 +/- 5.52   0.333% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG    GLN   17  15.34 +/- 3.68   0.517% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG    GLN   17  14.38 +/- 3.74   0.633% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   7.77 +/- 1.27   2.907% *  0.0076% (0.06   1.0  1.00   0.02  36.73) =   0.000%
          HA    SER   37 - HB    VAL   70  13.79 +/- 1.44   0.482% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  14.96 +/- 2.22   0.436% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  14.57 +/- 3.75   0.672% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.12 +/- 1.31   0.563% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  16.97 +/- 2.03   0.236% *  0.0114% (0.09   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 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.43, residual support = 84.8:
    * O T HB2   GLN   17 - QG    GLN   17   2.36 +/- 0.13  62.629% * 88.2721% (0.76  10.0 10.00   4.48  85.76) =  98.866%  kept
        T QB    GLU-  15 - QG    GLN   17   5.47 +/- 0.93   6.531% *  8.9047% (0.76   1.0 10.00   0.20   0.02) =   1.040%  kept
        T HB3   PRO   68 - QG    GLN   17  13.43 +/- 5.34   4.489% *  0.7068% (0.61   1.0 10.00   0.02   0.02) =   0.057%
        T HB3   GLU-  25 - QG    GLN   17  14.26 +/- 4.65   1.117% *  0.8350% (0.72   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   PRO   68 - HB    VAL   70   7.27 +/- 1.02   2.742% *  0.1448% (0.13   1.0 10.00   0.02   1.01) =   0.007%
          HB    ILE   19 - QG    GLN   17   6.89 +/- 1.35   4.000% *  0.0500% (0.43   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLN   17 - HB    VAL   70  13.12 +/- 3.57   0.686% *  0.1808% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HB    VAL   70  13.82 +/- 3.35   0.530% *  0.1808% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QG    GLN   17  13.46 +/- 4.68   1.691% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB    VAL   70   6.54 +/- 1.61   8.125% *  0.0088% (0.08   1.0  1.00   0.02   1.01) =   0.001%
          HG3   GLN   30 - QG    GLN   17  11.21 +/- 3.29   1.292% *  0.0363% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU- 100 - QG    GLN   17  19.00 +/- 4.98   0.224% *  0.1965% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLU-  25 - HB    VAL   70  19.26 +/- 3.01   0.163% *  0.1710% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  11.63 +/- 3.37   1.034% *  0.0155% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  15.04 +/- 2.40   0.354% *  0.0403% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  12.28 +/- 3.34   0.948% *  0.0102% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  20.12 +/- 3.52   0.155% *  0.0571% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  24.00 +/- 3.97   0.084% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  11.64 +/- 2.74   0.899% *  0.0074% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  18.19 +/- 4.01   0.350% *  0.0155% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.38 +/- 2.69   0.303% *  0.0117% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.47 +/- 2.35   0.872% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.58 +/- 2.76   0.129% *  0.0179% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  14.81 +/- 3.80   0.652% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.2:
    * O T HB    VAL   18 - HA    VAL   18   2.70 +/- 0.27  92.099% * 99.6862% (1.00  10.0 10.00   3.55  76.25) =  99.994%  kept
          HB2   LEU   67 - HA    VAL   18  12.23 +/- 6.53   4.929% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   40 - HA    VAL   18  13.64 +/- 4.54   1.616% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HA    VAL   18  21.60 +/- 5.01   0.346% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  18.65 +/- 3.78   0.620% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  19.30 +/- 3.60   0.391% *  0.0524% (0.53   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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.1:
    * O T QG1   VAL   18 - HA    VAL   18   2.25 +/- 0.28  86.666% * 97.2009% (1.00  10.0 10.00   4.12  76.25) =  99.828%  kept
          QD1   LEU   71 - HA    VAL   18  10.90 +/- 5.81   5.200% *  1.6319% (0.84   1.0  1.00   0.40   0.02) =   0.101%  kept
        T QG1   VAL   70 - HA    VAL   18  10.15 +/- 4.00   6.233% *  0.9528% (0.98   1.0 10.00   0.02   0.02) =   0.070%
          QD1   LEU  123 - HA    VAL   18  15.54 +/- 3.86   0.692% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   18  12.90 +/- 3.15   0.798% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   18  18.36 +/- 3.63   0.246% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  20.56 +/- 3.46   0.166% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.982, support = 4.13, residual support = 72.7:
    * O T QG2   VAL   18 - HA    VAL   18   2.91 +/- 0.28  55.711% * 85.3125% (1.00  10.0 10.00   4.12  76.25) =  93.606%  kept
          QD1   ILE   19 - HA    VAL   18   4.55 +/- 0.93  23.997% * 13.3711% (0.73   1.0  1.00   4.32  21.56) =   6.319%  kept
        T QG1   VAL   41 - HA    VAL   18  11.73 +/- 5.15   3.588% *  0.6520% (0.76   1.0 10.00   0.02   0.02) =   0.046%
          QG1   VAL   43 - HA    VAL   18  12.50 +/- 6.49  13.935% *  0.0788% (0.92   1.0  1.00   0.02   0.02) =   0.022%
        T QD2   LEU  104 - HA    VAL   18  15.41 +/- 3.27   0.524% *  0.4830% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   46 - HA    VAL   18  14.26 +/- 5.62   1.147% *  0.0836% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   18  12.67 +/- 2.84   1.098% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.2:
    * O T HA    VAL   18 - HB    VAL   18   2.70 +/- 0.27  92.586% * 99.3791% (1.00  10.0 10.00   3.55  76.25) =  99.994%  kept
          HA    VAL   70 - HB    VAL   18  12.62 +/- 5.46   3.335% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    VAL   18  14.97 +/- 2.55   0.809% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   18  16.65 +/- 3.33   0.600% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    VAL   18  24.54 +/- 9.15   0.419% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  18.43 +/- 4.21   0.579% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  21.24 +/- 7.60   0.515% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  16.80 +/- 3.11   0.654% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  26.06 +/- 7.51   0.194% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  22.10 +/- 5.47   0.308% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.2:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.02  88.842% * 99.5994% (1.00  10.0 10.00   3.43  76.25) =  99.989%  kept
          QG1   VAL   70 - HB    VAL   18  10.53 +/- 4.19   5.895% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU  123 - HB    VAL   18  15.27 +/- 4.41   2.212% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB    VAL   18  11.90 +/- 5.60   1.888% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HB    VAL   18  12.77 +/- 3.86   0.846% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   18  19.03 +/- 4.33   0.189% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  20.52 +/- 4.00   0.128% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 3.24, residual support = 75.6:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.02  83.666% * 86.8274% (1.00  10.0 10.00   3.23  76.25) =  98.789%  kept
          QD1   ILE   19 - HB    VAL   18   6.18 +/- 1.23   7.386% * 11.8329% (0.73   1.0  1.00   3.75  21.56) =   1.189%  kept
        T QG1   VAL   41 - HB    VAL   18  12.85 +/- 5.12   1.421% *  0.6636% (0.76   1.0 10.00   0.02   0.02) =   0.013%
          QG1   VAL   43 - HB    VAL   18  13.02 +/- 6.39   5.288% *  0.0802% (0.92   1.0  1.00   0.02   0.02) =   0.006%
        T QD2   LEU  104 - HB    VAL   18  16.11 +/- 3.67   0.267% *  0.4916% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   18  13.99 +/- 5.85   1.232% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   18  13.83 +/- 3.04   0.738% *  0.0193% (0.22   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 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.2:
    * O T HA    VAL   18 - QG1   VAL   18   2.25 +/- 0.28  88.229% * 97.2871% (1.00  10.0 10.00   4.12  76.25) =  99.928%  kept
        T HA    VAL   70 - QG1   VAL   18  10.18 +/- 5.12   7.843% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.061%
        T HA    SER   48 - QG1   VAL   18  17.22 +/- 6.84   0.697% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   SER   82 - QG1   VAL   18  20.28 +/- 8.03   0.302% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - QG1   VAL   18  12.50 +/- 1.89   0.703% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   18  13.93 +/- 2.84   0.563% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   18  14.89 +/- 3.33   0.443% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  13.98 +/- 2.49   0.602% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  21.26 +/- 6.67   0.240% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  17.95 +/- 4.86   0.378% *  0.0270% (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 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.1:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.02  89.646% * 97.8452% (1.00  10.0 10.00   3.43  76.25) =  99.838%  kept
          HB2   LEU   67 - QG1   VAL   18  10.00 +/- 6.18   7.264% *  1.9346% (0.90   1.0  1.00   0.44   0.02) =   0.160%  kept
          HB3   ARG+  54 - QG1   VAL   18  17.00 +/- 4.65   0.647% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG1   VAL   18  12.04 +/- 4.04   1.235% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  14.60 +/- 3.84   0.807% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  15.19 +/- 3.80   0.401% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.0, residual support = 75.3:
    * O T QG2   VAL   18 - QG1   VAL   18   2.03 +/- 0.06  71.898% * 85.2850% (1.00  10.0 10.00   4.00  76.25) =  98.254%  kept
          QD1   ILE   19 - QG1   VAL   18   5.04 +/- 0.88   7.922% * 13.3990% (0.73   1.0  1.00   4.33  21.56) =   1.701%  kept
        T QG1   VAL   41 - QG1   VAL   18  10.49 +/- 4.41   1.952% *  0.6518% (0.76   1.0 10.00   0.02   0.02) =   0.020%
          QG1   VAL   43 - QG1   VAL   18  10.50 +/- 5.81  15.336% *  0.0787% (0.92   1.0  1.00   0.02   0.02) =   0.019%
        T QD2   LEU  104 - QG1   VAL   18  13.16 +/- 2.58   0.313% *  0.4828% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QG1   VAL   18  11.18 +/- 5.37   1.725% *  0.0836% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  11.41 +/- 2.61   0.854% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.1:
    * O T HA    VAL   18 - QG2   VAL   18   2.91 +/- 0.28  59.741% * 94.7828% (1.00  10.0 10.00   4.12  76.25) =  99.734%  kept
          HA    LYS+  33 - QG1   VAL   41   8.43 +/- 1.64   3.195% *  3.2800% (0.72   1.0  1.00   0.96   0.02) =   0.185%  kept
        T HA    VAL   18 - QG1   VAL   41  11.73 +/- 5.15   4.278% *  0.7244% (0.76   1.0 10.00   0.02   0.02) =   0.055%
          HA    VAL   70 - QG1   VAL   41   7.02 +/- 1.70   7.363% *  0.0498% (0.52   1.0  1.00   0.02   2.62) =   0.006%
          HA    VAL   70 - QG2   VAL   18  10.91 +/- 3.94   2.537% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - QG1   VAL   41  10.13 +/- 2.40   2.260% *  0.0723% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   32 - QG1   VAL   41   8.13 +/- 2.33   4.908% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - QG2   VAL   18  12.47 +/- 2.43   1.287% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   18 - QD2   LEU  104  15.41 +/- 3.27   0.590% *  0.1456% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - QG2   VAL   18  16.81 +/- 6.18   1.008% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   18  14.23 +/- 2.82   0.689% *  0.0897% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   18  15.07 +/- 3.75   0.930% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  15.38 +/- 3.78   0.622% *  0.0718% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  19.92 +/- 7.60   0.412% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG2   VAL   18  14.21 +/- 2.69   0.772% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   41  16.79 +/- 2.80   0.462% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  13.65 +/- 3.00   1.429% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  10.48 +/- 1.60   1.610% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  18.72 +/- 1.92   0.290% *  0.0526% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.34 +/- 1.64   0.419% *  0.0353% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  15.34 +/- 3.92   0.985% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  17.65 +/- 4.48   0.516% *  0.0264% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  21.17 +/- 6.13   0.282% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.06 +/- 2.95   1.080% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.78 +/- 3.02   0.675% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  18.68 +/- 3.56   0.353% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.41 +/- 2.19   0.202% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  17.87 +/- 2.15   0.396% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  20.86 +/- 3.07   0.250% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.14 +/- 3.80   0.459% *  0.0040% (0.04   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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 3.24, residual support = 76.0:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.02  80.135% * 92.8755% (1.00  10.0 10.00   3.23  76.25) =  99.551%  kept
          HB2   LEU   40 - QG1   VAL   41   5.23 +/- 0.39   5.565% *  5.7355% (0.26   1.0  1.00   4.74  21.35) =   0.427%  kept
        T HB    VAL   18 - QG1   VAL   41  12.85 +/- 5.12   1.375% *  0.7098% (0.76   1.0 10.00   0.02   0.02) =   0.013%
          HB2   LEU   67 - QG2   VAL   18  10.37 +/- 5.21   4.710% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   67 - QG1   VAL   41   9.68 +/- 1.87   1.234% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QG2   VAL   18  16.70 +/- 4.66   0.530% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   18 - QD2   LEU  104  16.11 +/- 3.67   0.256% *  0.1427% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  14.50 +/- 4.34   0.611% *  0.0452% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  12.62 +/- 3.17   0.627% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  15.35 +/- 3.76   0.330% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   7.82 +/- 1.62   2.754% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  12.45 +/- 2.81   0.758% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  15.90 +/- 1.95   0.222% *  0.0373% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  20.71 +/- 1.96   0.097% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  18.57 +/- 1.65   0.130% *  0.0345% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.51 +/- 2.28   0.333% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  21.33 +/- 3.27   0.128% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  18.13 +/- 3.47   0.205% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.956, support = 4.06, residual support = 82.8:
    * O T QG1   VAL   18 - QG2   VAL   18   2.03 +/- 0.06  50.155% * 90.9635% (1.00  10.0 10.00   4.00  76.25) =  95.217%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.43 +/- 0.40  33.350% *  6.8036% (0.07  10.0 10.00   5.34 216.03) =   4.736%  kept
        T QG1   VAL   18 - QG1   VAL   41  10.49 +/- 4.41   1.551% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.023%
        T HB3   LEU  104 - QG1   VAL   41   9.00 +/- 1.68   0.810% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.006%
          QD1   LEU   71 - QG1   VAL   41   6.03 +/- 1.91   3.285% *  0.0581% (0.64   1.0  1.00   0.02   2.84) =   0.004%
          QG1   VAL   70 - QG2   VAL   18   9.08 +/- 3.00   1.712% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QG1   VAL   41   6.75 +/- 1.25   2.016% *  0.0681% (0.75   1.0  1.00   0.02   2.62) =   0.003%
          QD1   LEU  123 - QG2   VAL   18  12.74 +/- 3.91   1.583% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU  104 - QG2   VAL   18  16.03 +/- 3.44   0.203% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QG2   VAL   18  10.25 +/- 4.21   0.924% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG2   VAL   18  10.53 +/- 3.02   0.744% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   18 - QD2   LEU  104  13.16 +/- 2.58   0.230% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG1   VAL   41  11.26 +/- 1.71   0.391% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.55 +/- 3.49   0.247% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   8.66 +/- 1.62   0.911% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.96 +/- 1.70   0.613% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.45 +/- 4.07   0.413% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.33 +/- 2.25   0.342% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  14.00 +/- 1.23   0.174% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  16.79 +/- 3.15   0.111% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.28 +/- 0.53   0.234% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.74, residual support = 124.0:
    * O T HB    ILE   19 - HA    ILE   19   2.75 +/- 0.26  77.942% * 98.7896% (1.00  10.0 10.00   4.75 124.11) =  99.921%  kept
        T HB3   GLU-  25 - HA    ILE   19  11.49 +/- 3.80   6.917% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.068%
          HB2   GLN   17 - HA    ILE   19   5.86 +/- 0.60   8.956% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - HA    ILE   19   9.25 +/- 1.09   2.514% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    ILE   19  15.66 +/- 3.61   0.994% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    ILE   19  15.81 +/- 4.17   1.692% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  20.73 +/- 3.73   0.267% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  19.32 +/- 3.80   0.322% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  19.90 +/- 3.10   0.258% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.73 +/- 3.85   0.138% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 5.23, residual support = 122.1:
    * O T HG12  ILE   19 - HA    ILE   19   3.49 +/- 0.35  56.214% * 89.7529% (1.00  10.0 10.00   5.31 124.11) =  98.325%  kept
        T HG    LEU   73 - HA    ILE   19  10.36 +/- 5.87   8.931% *  8.4724% (0.34   1.0 10.00   0.55   5.02) =   1.475%  kept
          HB3   LYS+  74 - HA    ILE   19  10.32 +/- 6.70  11.963% *  0.4426% (0.57   1.0  1.00   0.17   7.69) =   0.103%  kept
        T HG    LEU   80 - HA    ILE   19  17.31 +/- 9.57   4.306% *  0.8798% (0.98   1.0 10.00   0.02   0.02) =   0.074%
          HB2   LEU   80 - HA    ILE   19  18.10 +/- 8.72   6.318% *  0.0686% (0.76   1.0  1.00   0.02   0.02) =   0.008%
          QB    ALA   61 - HA    ILE   19  11.53 +/- 3.51   4.632% *  0.0779% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          HB3   LEU   67 - HA    ILE   19  13.23 +/- 4.24   2.845% *  0.0652% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HA    ILE   19  21.16 +/- 5.62   1.955% *  0.0544% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ILE   19  14.03 +/- 2.75   1.210% *  0.0472% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ILE   19  20.70 +/- 2.83   0.352% *  0.0890% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ILE   19  15.03 +/- 3.36   0.976% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HA    ILE   19  22.49 +/- 4.09   0.297% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.74, residual support = 124.0:
    * O T HG13  ILE   19 - HA    ILE   19   3.44 +/- 0.59  76.904% * 98.2804% (1.00  10.0 10.00   4.75 124.11) =  99.940%  kept
        T HG    LEU   71 - HA    ILE   19  13.19 +/- 4.76   3.135% *  0.8814% (0.90   1.0 10.00   0.02   0.29) =   0.037%
          HG2   LYS+  74 - HA    ILE   19  12.08 +/- 6.69   8.585% *  0.0907% (0.92   1.0  1.00   0.02   7.69) =   0.010%
        T QG2   ILE   56 - HA    ILE   19  16.52 +/- 2.53   1.079% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   39 - HA    ILE   19  12.37 +/- 3.68   3.326% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  99 - HA    ILE   19  18.44 +/- 3.50   1.083% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE   19  10.78 +/- 2.09   3.682% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   19  19.69 +/- 4.36   0.651% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    ILE   19  18.99 +/- 2.33   0.618% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  21.46 +/- 5.27   0.568% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.30 +/- 3.66   0.370% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.23 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 4.64, residual support = 113.7:
    *   T QD1   ILE   19 - HA    ILE   19   3.33 +/- 0.76  52.715% * 85.6200% (1.00 10.00   4.65 124.11) =  89.806%  kept
          QG2   VAL   18 - HA    ILE   19   4.17 +/- 0.63  36.195% * 14.1408% (0.73  1.00   4.55  21.56) =  10.184%  kept
          QG1   VAL   43 - HA    ILE   19  12.30 +/- 4.91   4.266% *  0.0417% (0.49  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    ILE   19  13.59 +/- 4.64   1.824% *  0.0715% (0.84  1.00   0.02   0.02) =   0.003%
          QD2   LEU  104 - HA    ILE   19  16.07 +/- 3.66   1.082% *  0.0826% (0.97  1.00   0.02   0.02) =   0.002%
          QG1   VAL   41 - HA    ILE   19  11.97 +/- 3.53   2.943% *  0.0264% (0.31  1.00   0.02   0.02) =   0.002%
          QD1   LEU   98 - HA    ILE   19  15.06 +/- 3.66   0.977% *  0.0169% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.31 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 123.8:
    * O T HA    ILE   19 - HB    ILE   19   2.75 +/- 0.26  71.581% * 98.6066% (1.00  10.0 10.00   4.75 124.11) =  99.727%  kept
        T HA    GLU-  25 - HB    ILE   19  10.92 +/- 3.64  20.831% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.268%  kept
        T HA    SER   82 - HB    ILE   19  23.13 +/- 8.27   0.521% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HA    THR   26 - HB    ILE   19   8.63 +/- 2.34   6.751% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HB    ILE   19  20.27 +/- 3.57   0.316% *  0.0884% (0.90   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 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 = 0.941, support = 4.1, residual support = 113.0:
    * O T HG12  ILE   19 - HB    ILE   19   2.62 +/- 0.26  62.978% * 69.7475% (1.00  10.0 10.00   4.30 124.11) =  90.715%  kept
        T HG    LEU   73 - HB    ILE   19   9.47 +/- 6.43  17.612% * 23.7914% (0.34   1.0 10.00   2.27   5.02) =   8.653%  kept
        T HB3   LEU   67 - HB    ILE   19  13.29 +/- 4.59   6.084% *  2.6890% (0.73   1.0 10.00   0.11   0.02) =   0.338%  kept
          HB3   LYS+  74 - HB    ILE   19  10.66 +/- 6.60   4.630% *  2.7876% (0.57   1.0  1.00   1.41   7.69) =   0.267%  kept
        T HG    LEU   80 - HB    ILE   19  17.23 +/- 9.69   1.392% *  0.6837% (0.98   1.0 10.00   0.02   0.02) =   0.020%
          HB2   LEU   80 - HB    ILE   19  17.84 +/- 8.96   3.901% *  0.0533% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   61 - HB    ILE   19  11.98 +/- 3.34   1.117% *  0.0605% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HB    ILE   19  20.69 +/- 5.39   0.596% *  0.0423% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HB    ILE   19  14.29 +/- 2.91   0.586% *  0.0367% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  20.73 +/- 2.89   0.228% *  0.0691% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  14.33 +/- 3.54   0.708% *  0.0215% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  21.53 +/- 4.56   0.167% *  0.0174% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 3.96, residual support = 122.9:
    * O T HG13  ILE   19 - HB    ILE   19   2.71 +/- 0.24  85.076% * 76.1947% (1.00  10.0 10.00   4.00 124.11) =  98.965%  kept
        T HG2   LYS+  74 - HB    ILE   19  12.46 +/- 6.61   2.590% * 16.4284% (0.92   1.0 10.00   0.47   7.69) =   0.650%  kept
        T HG    LEU   71 - HB    ILE   19  12.37 +/- 5.02   3.596% *  6.9190% (0.90   1.0 10.00   0.20   0.29) =   0.380%  kept
          QG2   THR   39 - HB    ILE   19  11.64 +/- 3.80   3.514% *  0.0636% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HB    ILE   19   9.81 +/- 2.41   3.091% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB    ILE   19  17.53 +/- 3.64   0.515% *  0.0721% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB    ILE   19  19.57 +/- 4.68   0.364% *  0.0636% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.37 +/- 3.35   0.121% *  0.1508% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  18.02 +/- 2.62   0.365% *  0.0431% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  16.73 +/- 2.36   0.468% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  21.19 +/- 5.49   0.300% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 3.91, residual support = 121.6:
    * O T QD1   ILE   19 - HB    ILE   19   2.55 +/- 0.51  76.687% * 85.6077% (1.00  10.0 10.00   3.89 124.11) =  97.532%  kept
          QG2   VAL   18 - HB    ILE   19   5.57 +/- 0.77  11.699% * 14.1532% (0.73   1.0  1.00   4.55  21.56) =   2.460%  kept
          QG1   VAL   43 - HB    ILE   19  11.84 +/- 5.11   5.113% *  0.0417% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HB    ILE   19  13.73 +/- 4.70   2.359% *  0.0715% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU  104 - HB    ILE   19  15.38 +/- 3.72   0.996% *  0.0826% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB    ILE   19  11.12 +/- 3.69   2.293% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  14.43 +/- 3.76   0.852% *  0.0169% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.12 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.989, support = 5.24, residual support = 122.3:
    * O T HA    ILE   19 - HG12  ILE   19   3.49 +/- 0.35  48.347% * 91.0146% (1.00  10.0 10.00   5.31 124.11) =  98.465%  kept
        T HA    ILE   19 - HG    LEU   73  10.36 +/- 5.87   7.967% *  8.2257% (0.33   1.0 10.00   0.55   5.02) =   1.467%  kept
        T HA    ILE   19 - HG    LEU   80  17.31 +/- 9.57   4.180% *  0.3733% (0.41   1.0 10.00   0.02   0.02) =   0.035%
          HA    GLU-  25 - HG12  ILE   19  12.01 +/- 3.34  10.925% *  0.0840% (0.92   1.0  1.00   0.02   0.02) =   0.021%
          HA    GLU-  25 - HG    LEU   80  15.35 +/- 9.70   3.651% *  0.0345% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - HG12  ILE   19   9.57 +/- 2.42   5.240% *  0.0227% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   82 - HG    LEU   80   7.88 +/- 0.71   4.723% *  0.0140% (0.15   1.0  1.00   0.02   0.48) =   0.001%
          HA    GLU-  25 - HG    LEU   73  13.56 +/- 4.17   2.000% *  0.0274% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73  12.13 +/- 5.15   6.756% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG12  ILE   19  23.90 +/- 8.55   1.122% *  0.0342% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG    LEU   73  16.79 +/- 5.15   1.397% *  0.0267% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  20.75 +/- 3.55   0.351% *  0.0816% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG    LEU   80  19.15 +/- 3.72   0.617% *  0.0335% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  16.59 +/- 9.80   2.173% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  17.67 +/- 2.96   0.551% *  0.0112% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.942, support = 4.13, residual support = 113.9:
    * O T HB    ILE   19 - HG12  ILE   19   2.62 +/- 0.26  51.267% * 74.6257% (1.00  10.0 10.00   4.30 124.11) =  91.453%  kept
        T HB    ILE   19 - HG    LEU   73   9.47 +/- 6.43  14.607% * 24.3716% (0.33   1.0 10.00   2.27   5.02) =   8.510%  kept
          HB3   GLU-  25 - HG12  ILE   19  12.07 +/- 3.74  10.409% *  0.0570% (0.76   1.0  1.00   0.02   0.02) =   0.014%
        T HB    ILE   19 - HG    LEU   80  17.23 +/- 9.69   1.174% *  0.3061% (0.41   1.0 10.00   0.02   0.02) =   0.009%
          HB2   GLN   17 - HG12  ILE   19   6.82 +/- 1.06   4.589% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - HG12  ILE   19   8.36 +/- 1.86   2.438% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG12  ILE   19  15.57 +/- 4.80   0.838% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU   73  16.89 +/- 5.45   1.726% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG12  ILE   19  15.73 +/- 5.45   2.006% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   80  16.00 +/-10.09   1.395% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HG    LEU   73  15.64 +/- 5.64   3.407% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   73  14.48 +/- 4.32   0.738% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  14.02 +/- 5.54   0.846% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  14.73 +/- 2.55   0.457% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  20.71 +/- 3.23   0.148% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  20.88 +/- 8.82   0.613% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  15.00 +/- 5.21   0.585% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.88 +/- 3.81   0.230% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.41 +/- 3.05   0.155% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  18.16 +/- 4.63   0.457% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  20.10 +/- 2.76   0.157% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  21.19 +/- 3.19   0.139% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  20.69 +/- 5.34   0.342% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  21.80 +/- 7.51   0.204% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.00 +/- 2.79   0.526% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.02 +/- 2.90   0.070% *  0.0363% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  20.51 +/- 3.21   0.158% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.49 +/- 3.67   0.100% *  0.0149% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  24.16 +/- 3.52   0.086% *  0.0126% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  21.49 +/- 3.39   0.133% *  0.0068% (0.09   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 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 0.994, support = 4.26, residual support = 122.8:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  80.895% * 67.4261% (1.00  10.0 10.00   4.30 124.11) =  98.913%  kept
        T HG    LEU   71 - HG    LEU   73   9.27 +/- 2.17   2.155% * 10.5614% (0.29   1.0 10.00   1.07   2.12) =   0.413%  kept
        T HG    LEU   71 - HG12  ILE   19  12.15 +/- 6.46   1.274% * 14.8434% (0.90   1.0 10.00   0.49   0.29) =   0.343%  kept
        T HG13  ILE   19 - HG    LEU   73  10.57 +/- 6.56   2.932% *  6.0414% (0.33   1.0 10.00   0.55   5.02) =   0.321%  kept
        T HG13  ILE   19 - HG    LEU   80  18.60 +/- 9.66   0.831% *  0.2766% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   39 - HG12  ILE   19  11.20 +/- 4.92   1.627% *  0.0563% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   71 - HG    LEU   80  18.04 +/- 4.30   0.176% *  0.2480% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HG12  ILE   19  13.56 +/- 6.72   0.500% *  0.0622% (0.92   1.0  1.00   0.02   7.69) =   0.001%
          HG2   LYS+  74 - HG    LEU   80  11.00 +/- 3.29   0.806% *  0.0255% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.09 +/- 0.96   1.005% *  0.0203% (0.30   1.0  1.00   0.02  43.08) =   0.000%
          QB    ALA   34 - HG12  ILE   19   9.69 +/- 3.24   0.998% *  0.0150% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  12.00 +/- 2.32   0.647% *  0.0231% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   9.97 +/- 2.34   0.699% *  0.0184% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  14.14 +/- 4.55   1.362% *  0.0083% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  17.06 +/- 3.43   0.123% *  0.0638% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   8.92 +/- 2.73   1.508% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  20.21 +/- 4.56   0.106% *  0.0563% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  14.43 +/- 2.29   0.235% *  0.0184% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  17.60 +/- 3.63   0.109% *  0.0382% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.50 +/- 2.73   0.522% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.58 +/- 3.80   0.149% *  0.0231% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  15.63 +/- 2.18   0.142% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  17.02 +/- 2.68   0.116% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  22.03 +/- 4.87   0.062% *  0.0262% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  14.65 +/- 2.91   0.243% *  0.0055% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  17.74 +/- 3.37   0.127% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  21.84 +/- 5.43   0.077% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  15.02 +/- 4.72   0.206% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  17.13 +/- 1.83   0.101% *  0.0125% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  20.99 +/- 5.24   0.142% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  24.32 +/- 3.73   0.036% *  0.0157% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.62 +/- 2.82   0.030% *  0.0133% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  23.06 +/- 3.87   0.058% *  0.0055% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 0.986, support = 3.91, residual support = 121.0:
    * O T QD1   ILE   19 - HG12  ILE   19   2.14 +/- 0.01  51.204% * 81.3362% (1.00  10.0 10.00   3.96 124.11) =  97.262%  kept
        T QD1   ILE   19 - HG    LEU   73   8.59 +/- 5.74  12.798% *  4.7418% (0.33   1.0 10.00   0.36   5.02) =   1.417%  kept
          QG2   VAL   18 - HG12  ILE   19   5.57 +/- 0.97   4.063% * 12.7775% (0.73   1.0  1.00   4.33  21.56) =   1.212%  kept
        T QD1   ILE   19 - HG    LEU   80  15.22 +/- 8.55   8.139% *  0.3336% (0.41   1.0 10.00   0.02   0.02) =   0.063%
          QG1   VAL   43 - HG    LEU   73   6.56 +/- 2.16   8.510% *  0.1814% (0.16   1.0  1.00   0.28   2.53) =   0.036%
          QG2   VAL   18 - HG    LEU   73   9.72 +/- 5.72   3.532% *  0.0193% (0.24   1.0  1.00   0.02   0.59) =   0.002%
        T QD1   LEU   98 - HG12  ILE   19  14.35 +/- 3.77   0.259% *  0.1610% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU   80   9.13 +/- 3.39   2.068% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG12  ILE   19  10.93 +/- 4.34   1.284% *  0.0251% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG12  ILE   19  12.24 +/- 5.22   0.776% *  0.0396% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG12  ILE   19  14.38 +/- 4.70   0.345% *  0.0679% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   80  10.08 +/- 2.13   0.796% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG    LEU   80  13.43 +/- 4.23   0.331% *  0.0660% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   73   9.77 +/- 1.93   0.885% *  0.0222% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  15.10 +/- 3.35   0.230% *  0.0785% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   73   8.04 +/- 2.39   2.125% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  13.05 +/- 2.85   0.571% *  0.0256% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  15.77 +/- 8.17   0.361% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73  10.34 +/- 2.95   1.228% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  17.98 +/- 4.05   0.159% *  0.0322% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  13.71 +/- 3.88   0.337% *  0.0103% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 124.1:
    * O T HA    ILE   19 - HG13  ILE   19   3.44 +/- 0.59  67.411% * 98.6722% (1.00  10.0 10.00   4.75 124.11) =  99.960%  kept
          HA    GLU-  25 - HG13  ILE   19  12.45 +/- 3.48  16.779% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.023%
        T HA    CYS   53 - HG13  ILE   19  20.92 +/- 3.52   0.498% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.007%
        T HA    ILE   19 - HG    LEU   71  13.19 +/- 4.76   2.836% *  0.1414% (0.14   1.0 10.00   0.02   0.29) =   0.006%
          HA    THR   26 - HG13  ILE   19   9.93 +/- 2.39   8.813% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HA    CYS   53 - HG    LEU   71  20.41 +/- 3.90   0.479% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG13  ILE   19  24.32 +/- 8.37   0.830% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  17.98 +/- 2.57   0.723% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  15.45 +/- 3.00   1.276% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  23.15 +/- 3.46   0.354% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 124.1:
    * O T HB    ILE   19 - HG13  ILE   19   2.71 +/- 0.24  59.155% * 98.7569% (1.00  10.0 10.00   4.00 124.11) =  99.968%  kept
          HB2   GLN   17 - HG13  ILE   19   6.40 +/- 1.45   7.808% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HB3   GLU-  25 - HG13  ILE   19  12.65 +/- 3.53   5.628% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.007%
        T HB    ILE   19 - HG    LEU   71  12.37 +/- 5.02   2.511% *  0.1416% (0.14   1.0 10.00   0.02   0.29) =   0.006%
          QB    GLU-  15 - HG13  ILE   19   7.97 +/- 1.95   4.407% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HG2   PRO   68 - HG13  ILE   19  15.49 +/- 4.43   1.372% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HG13  ILE   19  15.64 +/- 5.13   3.237% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   71  12.92 +/- 6.15   7.832% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  25.26 +/- 3.21   0.084% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG    LEU   71  13.73 +/- 6.26   2.213% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  20.91 +/- 3.36   0.172% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.14 +/- 1.56   1.077% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  19.35 +/- 4.93   1.066% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  23.99 +/- 4.26   0.154% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.93 +/- 3.82   0.250% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  20.27 +/- 2.90   0.180% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  18.68 +/- 4.36   0.959% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.87 +/- 1.89   1.439% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  19.20 +/- 2.53   0.211% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  19.67 +/- 2.88   0.244% *  0.0058% (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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 124.1:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  82.552% * 97.7565% (1.00  10.0 10.00   4.30 124.11) =  99.969%  kept
        T HG    LEU   73 - HG13  ILE   19  10.57 +/- 6.56   2.992% *  0.3335% (0.34   1.0 10.00   0.02   5.02) =   0.012%
        T HG    LEU   80 - HG13  ILE   19  18.60 +/- 9.66   0.841% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          HB2   LEU   80 - HG13  ILE   19  19.21 +/- 8.97   2.455% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   19 - HG    LEU   71  12.15 +/- 6.46   1.300% *  0.1401% (0.14   1.0 10.00   0.02   0.29) =   0.002%
        T HG    LEU   73 - HG    LEU   71   9.27 +/- 2.17   2.200% *  0.0478% (0.05   1.0 10.00   0.02   2.12) =   0.001%
          HB3   LEU   67 - HG13  ILE   19  13.27 +/- 5.18   0.822% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HG13  ILE   19  11.98 +/- 6.67   0.934% *  0.0553% (0.57   1.0  1.00   0.02   7.69) =   0.001%
          QB    ALA   61 - HG13  ILE   19  12.31 +/- 3.83   0.479% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   80 - HG    LEU   71  18.04 +/- 4.30   0.180% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.32 +/- 3.66   0.242% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.50 +/- 2.17   0.942% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  11.49 +/- 2.62   1.113% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.42 +/- 3.52   0.268% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  20.39 +/- 5.24   0.135% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  21.18 +/- 3.09   0.063% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  11.67 +/- 2.20   0.503% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  17.93 +/- 5.88   0.624% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.59 +/- 1.98   0.414% *  0.0079% (0.08   1.0  1.00   0.02   1.13) =   0.000%
          QB    LEU   98 - HG    LEU   71  10.58 +/- 1.94   0.525% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  18.24 +/- 3.91   0.170% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.35 +/- 3.99   0.059% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  19.96 +/- 3.49   0.088% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  17.70 +/- 2.47   0.097% *  0.0035% (0.04   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 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 = 0.997, support = 3.9, residual support = 122.9:
    * O T QD1   ILE   19 - HG13  ILE   19   2.14 +/- 0.01  75.927% * 85.4142% (1.00  10.0 10.00   3.89 124.11) =  98.860%  kept
          QG2   VAL   18 - HG13  ILE   19   5.61 +/- 0.87   5.226% * 14.1817% (0.73   1.0  1.00   4.57  21.56) =   1.130%  kept
        T QD1   ILE   19 - HG    LEU   71  10.33 +/- 5.16   3.142% *  0.1224% (0.14   1.0 10.00   0.02   0.29) =   0.006%
          QG1   VAL   43 - HG13  ILE   19  12.44 +/- 5.27   2.079% *  0.0416% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG13  ILE   19  11.10 +/- 4.09   2.778% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG13  ILE   19  14.64 +/- 4.87   0.553% *  0.0713% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG13  ILE   19  15.20 +/- 3.37   0.352% *  0.0824% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   9.58 +/- 2.44   2.469% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   71   6.90 +/- 2.00   3.830% *  0.0038% (0.04   1.0  1.00   0.02   2.84) =   0.000%
          QG2   VAL   18 - HG    LEU   71  11.70 +/- 5.12   1.363% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  11.69 +/- 2.00   0.810% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.62 +/- 3.66   0.420% *  0.0169% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.91 +/- 1.75   0.342% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  11.19 +/- 1.83   0.709% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.65, residual support = 124.1:
    *   T HA    ILE   19 - QD1   ILE   19   3.33 +/- 0.76  63.260% * 99.7561% (1.00 10.00   4.65 124.11) =  99.967%  kept
          HA    GLU-  25 - QD1   ILE   19   9.51 +/- 2.79  16.554% *  0.0921% (0.92  1.00   0.02   0.02) =   0.024%
          HA    THR   26 - QD1   ILE   19   7.36 +/- 2.21  18.518% *  0.0249% (0.25  1.00   0.02   0.02) =   0.007%
          HA    CYS   53 - QD1   ILE   19  17.94 +/- 2.74   0.800% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  19.94 +/- 7.41   0.868% *  0.0374% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.24 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 3.89, residual support = 123.9:
    * O T HB    ILE   19 - QD1   ILE   19   2.55 +/- 0.51  55.211% * 98.8613% (1.00  10.0 10.00   3.89 124.11) =  99.792%  kept
          HB2   GLN   17 - QD1   ILE   19   6.01 +/- 1.40  14.901% *  0.6633% (0.57   1.0  1.00   0.24   0.02) =   0.181%  kept
          HB3   GLU-  25 - QD1   ILE   19   9.71 +/- 2.87   7.680% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.011%
          QB    GLU-  15 - QD1   ILE   19   6.85 +/- 1.77   6.916% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PRO   68 - QD1   ILE   19  13.49 +/- 4.46  12.024% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HG2   PRO   68 - QD1   ILE   19  13.43 +/- 3.96   2.128% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU- 114 - QD1   ILE   19  17.85 +/- 2.92   0.298% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QD1   ILE   19  17.24 +/- 2.95   0.436% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  17.42 +/- 2.44   0.242% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.50 +/- 2.72   0.164% *  0.0481% (0.49   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 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 0.99, support = 3.9, residual support = 122.2:
    * O T HG12  ILE   19 - QD1   ILE   19   2.14 +/- 0.01  61.706% * 92.6717% (1.00  10.0 10.00   3.96 124.11) =  98.373%  kept
        T HG    LEU   73 - QD1   ILE   19   8.59 +/- 5.74  15.332% *  5.6430% (0.34   1.0 10.00   0.36   5.02) =   1.488%  kept
        T HG    LEU   80 - QD1   ILE   19  15.22 +/- 8.55   7.549% *  0.9084% (0.98   1.0 10.00   0.02   0.02) =   0.118%  kept
          HB2   LEU   80 - QD1   ILE   19  15.76 +/- 7.87   9.421% *  0.0708% (0.76   1.0  1.00   0.02   0.02) =   0.011%
        T QB    LEU   98 - QD1   ILE   19  12.03 +/- 3.00   0.872% *  0.2860% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QD1   ILE   19  10.32 +/- 5.40   2.012% *  0.0525% (0.57   1.0  1.00   0.02   7.69) =   0.002%
          HB3   LEU   67 - QD1   ILE   19  11.56 +/- 4.18   1.160% *  0.0673% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   ILE   19  10.76 +/- 2.77   0.812% *  0.0804% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD1   ILE   19  12.52 +/- 2.93   0.549% *  0.0488% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  17.71 +/- 4.58   0.300% *  0.0562% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  18.02 +/- 2.34   0.136% *  0.0919% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.69 +/- 3.45   0.151% *  0.0231% (0.25   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 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 3.89, residual support = 124.1:
    * O T HG13  ILE   19 - QD1   ILE   19   2.14 +/- 0.01  80.620% * 98.6077% (1.00  10.0 10.00   3.89 124.11) =  99.949%  kept
        T HG    LEU   71 - QD1   ILE   19  10.33 +/- 5.16   3.344% *  0.8843% (0.90   1.0 10.00   0.02   0.29) =   0.037%
          QG2   THR   39 - QD1   ILE   19   9.24 +/- 4.09   8.870% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.009%
          HG2   LYS+  74 - QD1   ILE   19  11.71 +/- 5.49   1.778% *  0.0910% (0.92   1.0  1.00   0.02   7.69) =   0.002%
          QB    ALA   34 - QD1   ILE   19   7.82 +/- 2.70   3.750% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD1   ILE   19  14.35 +/- 2.92   0.421% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  14.32 +/- 3.06   0.382% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.24 +/- 3.68   0.245% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  14.75 +/- 1.96   0.294% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  18.54 +/- 4.47   0.204% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  21.99 +/- 2.66   0.092% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 14.9:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  98.239% * 99.6998% (1.00  10.0 10.00   2.31  14.85) =  99.999%  kept
          HB3   LEU   31 - HA    ALA   20  13.64 +/- 1.80   0.480% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  21.89 +/- 5.48   0.364% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.32 +/- 4.03   0.287% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.66 +/- 2.23   0.327% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  19.01 +/- 2.75   0.156% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  20.86 +/- 3.85   0.148% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 14.9:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  98.640% * 99.9427% (1.00  10.0 10.00   2.31  14.85) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20  11.35 +/- 3.63   1.132% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  18.52 +/- 3.12   0.228% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 30.4:
    * O T HB2   CYS   21 - HA    CYS   21   2.68 +/- 0.27  98.995% * 99.9059% (1.00  10.0 10.00   2.79  30.41) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  17.40 +/- 4.64   0.799% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  23.07 +/- 3.37   0.206% *  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 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.81, residual support = 30.4:
    * O T HB3   CYS   21 - HA    CYS   21   2.74 +/- 0.25  99.588% * 99.9348% (0.69  10.0 10.00   2.81  30.41) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  17.89 +/- 2.72   0.412% *  0.0652% (0.45   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 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 = 2.72, residual support = 30.4:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.847% * 99.9348% (0.69  10.0 10.00   2.72  30.41) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  17.52 +/- 3.40   0.153% *  0.0652% (0.45   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 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.72, residual support = 30.4:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.741% * 99.9059% (0.69  10.0 10.00   2.72  30.41) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  17.24 +/- 5.35   0.200% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  22.68 +/- 3.29   0.059% *  0.0566% (0.39   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 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 = 35.4:
    * O T HB2   HIS   22 - HA    HIS   22   2.41 +/- 0.07  98.573% * 99.8331% (0.76  10.0 10.00   2.32  35.39) =  99.998%  kept
          HA    LEU   63 - HA    HIS   22  17.48 +/- 4.44   1.182% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HA    HIS   22  22.09 +/- 3.92   0.245% *  0.0425% (0.32   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 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.4:
    * O T HB3   HIS   22 - HA    HIS   22   2.76 +/- 0.28  98.470% * 99.9165% (0.95  10.0 10.00   3.46  35.39) =  99.999%  kept
          HD3   ARG+  54 - HA    HIS   22  22.11 +/- 7.32   1.530% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.4:
    * O T HA    HIS   22 - HB2   HIS   22   2.41 +/- 0.07  99.144% * 99.7956% (0.76  10.0 10.00   2.32  35.39) =  99.999%  kept
          HA    VAL   43 - HB2   HIS   22  15.52 +/- 3.65   0.603% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB2   HIS   22  20.39 +/- 3.47   0.253% *  0.1046% (0.79   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 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 = 35.4:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00  99.738% * 99.9165% (0.80  10.0 10.00   4.26  35.39) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  22.31 +/- 7.54   0.262% *  0.0835% (0.67   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 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.4:
    * O T HA    HIS   22 - HB3   HIS   22   2.76 +/- 0.28  98.759% * 99.7956% (0.95  10.0 10.00   3.46  35.39) =  99.999%  kept
          HA    VAL   43 - HB3   HIS   22  15.84 +/- 3.77   0.840% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB3   HIS   22  20.32 +/- 3.71   0.401% *  0.1046% (0.99   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 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.4:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00  99.618% * 99.8331% (0.80  10.0 10.00   4.26  35.39) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  18.59 +/- 4.41   0.313% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  23.46 +/- 4.29   0.069% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 18.5:
    * O T QG2   THR   23 - HA    THR   23   2.66 +/- 0.45  92.820% * 99.3383% (0.80  10.0 10.00   3.36  18.50) =  99.989%  kept
        T QB    ALA   91 - HA    THR   23  17.11 +/- 4.13   2.982% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.007%
        T QG2   THR   39 - HA    THR   23  15.74 +/- 2.09   0.754% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    THR   23  12.94 +/- 1.04   0.996% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  13.71 +/- 3.88   1.730% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   23  18.39 +/- 4.33   0.534% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  22.65 +/- 2.29   0.184% *  0.0445% (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 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.615, support = 3.09, residual support = 18.5:
    * O T HA    THR   23 - QG2   THR   23   2.66 +/- 0.45  36.100% * 73.9129% (0.80  10.0 10.00   3.36  18.50) =  64.410%  kept
      O   HB    THR   23 - QG2   THR   23   2.16 +/- 0.01  57.441% * 25.6645% (0.28  10.0  1.00   2.60  18.50) =  35.585%  kept
          HA    LEU   80 - QG2   THR   23  13.25 +/- 7.96   1.505% *  0.0379% (0.41   1.0  1.00   0.02   0.77) =   0.001%
        T HA    THR   23 - QB    ALA   91  17.11 +/- 4.13   0.635% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QG2   THR   39  15.74 +/- 2.09   0.191% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QG2   THR   23  15.34 +/- 5.31   0.323% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QB    ALA   91   8.76 +/- 2.42   2.625% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - QB    ALA   91  11.53 +/- 1.61   0.457% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  19.98 +/- 1.91   0.081% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  15.71 +/- 2.29   0.199% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  17.87 +/- 3.10   0.134% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  18.43 +/- 3.75   0.308% *  0.0027% (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 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 62.8:
    * O T QG1   VAL   24 - HA    VAL   24   2.90 +/- 0.41  94.466% * 99.7332% (1.00  10.0 10.00   3.42  62.85) =  99.997%  kept
          HB3   LEU   31 - HA    VAL   24   9.94 +/- 0.61   2.709% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL   24  21.14 +/- 6.33   1.901% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  17.19 +/- 2.67   0.628% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    VAL   24  22.92 +/- 4.24   0.296% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.13 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 62.8:
    * O T HA    VAL   24 - QG1   VAL   24   2.90 +/- 0.41  94.882% * 99.8757% (1.00  10.0 10.00   3.42  62.85) =  99.998%  kept
          HD2   PRO   68 - QG1   VAL   24  16.50 +/- 4.46   2.249% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   61 - QG1   VAL   24  14.92 +/- 3.57   2.170% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG1   VAL   24  16.31 +/- 1.99   0.699% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 127.4:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.96 +/- 0.06  90.185% * 99.2829% (1.00  10.0 10.00   5.26 127.45) =  99.991%  kept
          QG    GLN   17 - HA    GLU-  25  14.16 +/- 4.67   3.734% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLU-  25 - HA    SER   82  20.73 +/- 9.61   0.877% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   70 - HA    GLU-  25  18.02 +/- 3.24   0.704% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    SER   82  24.39 +/- 7.80   1.828% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLU-  25  18.50 +/- 2.40   0.415% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.28 +/- 2.41   0.794% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  19.46 +/- 1.99   0.366% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.36 +/- 3.76   0.474% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  22.29 +/- 1.66   0.227% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  27.52 +/- 3.70   0.136% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  24.55 +/- 4.44   0.260% *  0.0056% (0.06   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 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 4.99, residual support = 127.1:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.75 +/- 0.12  68.633% * 98.0202% (1.00  10.0 10.00   5.00 127.45) =  99.755%  kept
        T HB    ILE   19 - HA    GLU-  25  10.92 +/- 3.64  20.974% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.233%  kept
        T HB3   GLU-  25 - HA    SER   82  20.06 +/- 9.89   0.621% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HA    GLU-  25  21.30 +/- 5.54   1.774% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HA    GLU-  25  21.61 +/- 5.56   1.757% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HB    ILE   19 - HA    SER   82  23.13 +/- 8.27   0.426% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - HA    GLU-  25  15.57 +/- 4.95   1.109% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HA    GLU-  25  15.64 +/- 4.04   0.854% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.67 +/- 0.71   1.754% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    SER   82  26.82 +/- 8.14   0.508% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.61 +/- 3.05   0.399% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  26.66 +/- 7.15   0.323% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  24.64 +/- 4.38   0.118% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  28.95 +/- 4.52   0.070% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  24.73 +/- 3.34   0.179% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  21.46 +/- 7.67   0.324% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  26.25 +/- 2.22   0.088% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  26.74 +/- 2.50   0.087% *  0.0193% (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 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   2.36 +/- 0.31  96.609% * 99.4877% (1.00  10.0 10.00   4.31 127.45) =  99.997%  kept
        T HG2   GLU-  25 - HA    SER   82  20.64 +/-10.21   0.589% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   87 - HA    SER   82   9.64 +/- 0.54   1.593% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  20.36 +/- 5.20   0.229% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.94 +/- 2.37   0.203% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  27.79 +/- 6.66   0.181% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  27.07 +/- 6.70   0.222% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  19.28 +/- 1.48   0.212% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  28.43 +/- 3.58   0.080% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  27.88 +/- 3.29   0.083% *  0.0090% (0.09   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 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.4:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.32 +/- 0.46  86.139% * 99.2510% (1.00  10.0 10.00   3.73 127.45) =  99.990%  kept
        T HG3   GLU-  25 - HA    SER   82  21.14 +/-10.08   1.262% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HA    GLU-  25  16.49 +/- 7.60   3.041% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HA    SER   82   9.83 +/- 1.03   4.163% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU-  25  24.54 +/- 4.62   1.227% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HA    GLU-  25  17.27 +/- 1.80   0.748% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  27.07 +/- 4.25   0.239% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.53 +/- 3.78   0.357% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  16.27 +/- 2.14   0.931% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  25.36 +/- 5.22   0.453% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  22.05 +/- 4.03   0.410% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.40 +/- 2.88   0.614% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  27.40 +/- 5.34   0.236% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  27.70 +/- 2.95   0.181% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.18 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.4:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.96 +/- 0.06  83.753% * 99.2383% (1.00  10.0 10.00   5.26 127.45) =  99.977%  kept
          HA    ILE   19 - HB2   GLU-  25  11.16 +/- 3.42  15.256% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.017%
        T HA    SER   82 - HB2   GLU-  25  20.73 +/- 9.61   0.827% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    CYS   53 - HB2   GLU-  25  25.85 +/- 3.84   0.164% *  0.0682% (0.69   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 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 = 127.4:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  90.021% * 97.2368% (1.00  10.0 10.00   5.27 127.45) =  99.983%  kept
          HB    ILE   19 - HB2   GLU-  25  10.67 +/- 3.26   8.146% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.007%
        T HB2   GLN   17 - HB2   GLU-  25  15.28 +/- 4.60   0.450% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T QB    GLU-  15 - HB2   GLU-  25  15.54 +/- 3.64   0.290% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   68 - HB2   GLU-  25  22.14 +/- 5.14   0.238% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HB2   GLU-  25  21.94 +/- 5.09   0.247% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25   9.98 +/- 0.76   0.522% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  25.40 +/- 4.78   0.056% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  29.69 +/- 4.99   0.029% *  0.0872% (0.90   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 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   2.74 +/- 0.24  98.964% * 99.8559% (1.00  10.0 10.00   4.57 127.45) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  21.99 +/- 4.97   0.278% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  28.31 +/- 6.89   0.240% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  22.04 +/- 2.40   0.247% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  27.59 +/- 6.86   0.272% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.57 +/- 0.24  97.644% * 99.6757% (1.00  10.0 10.00   3.99 127.45) =  99.999%  kept
          HB2   GLU-  79 - HB2   GLU-  25  17.23 +/- 8.07   1.076% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HB2   GLU-  25  25.63 +/- 4.30   0.385% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  18.12 +/- 2.18   0.337% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  27.51 +/- 4.52   0.129% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  25.29 +/- 4.18   0.198% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  25.67 +/- 5.49   0.231% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 127.3:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.12  88.535% * 98.4268% (1.00  10.0 10.00   5.00 127.45) =  99.885%  kept
        T HA    ILE   19 - HB3   GLU-  25  11.49 +/- 3.80  10.537% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.110%  kept
        T HA    SER   82 - HB3   GLU-  25  20.06 +/- 9.89   0.771% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    CYS   53 - HB3   GLU-  25  25.70 +/- 4.00   0.156% *  0.0676% (0.69   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 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.4:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  98.943% * 98.0062% (1.00  10.0 10.00   5.27 127.45) =  99.992%  kept
        T QG    GLN   17 - HB3   GLU-  25  14.26 +/- 4.65   0.742% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.007%
        T HB    VAL   70 - HB3   GLU-  25  19.26 +/- 3.01   0.110% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU-  25  20.00 +/- 2.27   0.073% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  21.38 +/- 1.98   0.061% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.41 +/- 3.73   0.070% *  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   2.90 +/- 0.14  98.710% * 99.8559% (1.00  10.0 10.00   4.44 127.45) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  21.62 +/- 5.14   0.356% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  28.28 +/- 7.17   0.323% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  27.57 +/- 7.18   0.361% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.08 +/- 2.47   0.251% *  0.0341% (0.34   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 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.5:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.52 +/- 0.21  97.321% * 99.2075% (1.00  10.0 10.00   3.86 127.45) =  99.998%  kept
          HB2   GLU-  79 - HB3   GLU-  25  16.83 +/- 8.14   1.473% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU- 114 - HB3   GLU-  25  25.21 +/- 4.24   0.161% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HB3   GLU-  25  25.28 +/- 4.40   0.308% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  18.97 +/- 2.09   0.273% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  27.27 +/- 4.62   0.111% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  25.66 +/- 5.78   0.354% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.10 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.36 +/- 0.31  83.007% * 99.2383% (1.00  10.0 10.00   4.31 127.45) =  99.978%  kept
          HA    ILE   19 - HG2   GLU-  25  12.68 +/- 4.08  16.408% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.018%
        T HA    SER   82 - HG2   GLU-  25  20.64 +/-10.21   0.515% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA    CYS   53 - HG2   GLU-  25  27.31 +/- 3.63   0.069% *  0.0682% (0.69   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 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.4:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.74 +/- 0.24  95.827% * 99.7000% (1.00  10.0 10.00   4.57 127.45) =  99.996%  kept
          QG    GLN   17 - HG2   GLU-  25  14.79 +/- 5.17   2.837% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   70 - HG2   GLU-  25  19.84 +/- 3.13   0.449% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  20.61 +/- 2.42   0.264% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  20.52 +/- 2.10   0.270% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.82 +/- 3.98   0.354% *  0.0175% (0.18   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 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.90 +/- 0.14  75.558% * 99.4104% (1.00  10.0 10.00   4.44 127.45) =  99.976%  kept
          HB    ILE   19 - HG2   GLU-  25  12.05 +/- 3.94  17.591% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.018%
          HB2   GLN   17 - HG2   GLU-  25  16.35 +/- 5.53   2.349% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - HG2   GLU-  25  16.01 +/- 4.59   1.351% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HG2   GLU-  25  23.09 +/- 5.64   0.766% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG2   GLU-  25  22.86 +/- 5.52   0.649% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  11.08 +/- 0.83   1.522% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   GLU-  25  26.36 +/- 4.45   0.137% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  30.84 +/- 4.70   0.077% *  0.0892% (0.90   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 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  99.347% * 99.6757% (1.00  10.0 10.00   3.31 127.45) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  18.15 +/- 7.92   0.287% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  26.48 +/- 4.87   0.131% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.94 +/- 2.06   0.104% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  28.88 +/- 4.35   0.030% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.25 +/- 3.92   0.045% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  27.15 +/- 5.26   0.056% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 3.73, residual support = 127.3:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.32 +/- 0.46  90.955% * 98.4268% (1.00  10.0 10.00   3.73 127.45) =  99.915%  kept
        T HA    ILE   19 - HG3   GLU-  25  13.07 +/- 3.99   7.485% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.076%
        T HA    SER   82 - HG3   GLU-  25  21.14 +/-10.08   1.336% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.009%
          HA    CYS   53 - HG3   GLU-  25  27.59 +/- 3.93   0.224% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.12 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 127.5:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.57 +/- 0.24  96.869% * 99.7000% (1.00  10.0 10.00   3.99 127.45) =  99.997%  kept
          QG    GLN   17 - HG3   GLU-  25  15.18 +/- 5.13   2.138% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HG3   GLU-  25  20.68 +/- 3.30   0.327% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  21.51 +/- 2.36   0.196% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  21.71 +/- 2.40   0.227% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.10 +/- 3.97   0.243% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.09 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.4:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.52 +/- 0.21  86.491% * 98.6730% (1.00  10.0 10.00   3.86 127.45) =  99.987%  kept
          HB    ILE   19 - HG3   GLU-  25  12.55 +/- 3.86   8.455% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HB2   GLN   17 - HG3   GLU-  25  16.79 +/- 5.47   1.671% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG3   GLU-  25  16.49 +/- 4.57   1.251% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLU- 114 - HG3   GLU-  25  26.88 +/- 4.74   0.115% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG3   GLU-  25  23.80 +/- 5.68   0.508% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  23.59 +/- 5.61   0.442% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   GLU-  25  11.87 +/- 0.92   1.003% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  31.30 +/- 4.98   0.064% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 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  99.794% * 99.8559% (1.00  10.0 10.00   3.31 127.45) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  23.01 +/- 5.26   0.062% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  30.15 +/- 7.02   0.046% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.77 +/- 2.51   0.046% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  29.45 +/- 7.03   0.053% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (2.33, 2.33, 37.82 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  25 - HG3   GLU-  25  (1.00)  kept
 
    Peak 165 (4.15, 4.15, 66.74 ppm):
    1 diagonal assignment:
    *     HA    THR   26 - HA    THR   26  (1.00)  kept
 
    Peak 166 (4.23, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.6:
    * O T HB    THR   26 - HA    THR   26   2.98 +/- 0.11  99.148% * 99.8279% (1.00  10.0 10.00   3.25  34.59) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  20.00 +/- 3.65   0.575% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - HA    THR   26  27.35 +/- 6.34   0.277% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.58 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.6:
    * O T QG2   THR   26 - HA    THR   26   2.61 +/- 0.30  93.948% * 99.3101% (1.00  10.0 10.00   3.24  34.59) =  99.996%  kept
        T HB3   LEU   40 - HA    THR   26  16.68 +/- 2.57   0.583% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    THR   26  14.59 +/- 4.13   0.846% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    THR   26  25.23 +/- 6.79   0.658% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HA    THR   26  19.30 +/- 3.99   0.328% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  19.60 +/- 4.97   1.125% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  19.22 +/- 3.28   0.300% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  24.88 +/- 7.36   0.935% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  22.73 +/- 6.53   1.046% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  24.04 +/- 4.29   0.231% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.6:
    * O T HA    THR   26 - HB    THR   26   2.98 +/- 0.11  80.925% * 99.6617% (1.00  10.0 10.00   3.25  34.59) =  99.993%  kept
          HA    ILE   19 - HB    THR   26   8.21 +/- 2.18  12.302% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HA    ASN   28 - HB    THR   26   7.86 +/- 0.23   4.531% *  0.0308% (0.31   1.0  1.00   0.02   0.40) =   0.002%
          HA    ALA   34 - HB    THR   26  13.41 +/- 1.39   1.029% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB    THR   26  19.56 +/- 4.23   0.506% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  26.17 +/- 5.34   0.198% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  23.09 +/- 3.65   0.239% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  22.87 +/- 4.44   0.270% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.45 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 = 34.6:
    * O T QG2   THR   26 - HB    THR   26   2.16 +/- 0.01  96.509% * 99.4369% (1.00  10.0 10.00   3.00  34.59) =  99.997%  kept
          HB2   LYS+  74 - HB    THR   26  12.78 +/- 5.06   0.928% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA  120 - HB    THR   26  21.81 +/- 6.50   0.525% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB    THR   26  18.05 +/- 4.51   0.277% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  24.41 +/- 6.54   0.229% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  18.48 +/- 3.41   0.213% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  19.73 +/- 5.13   0.596% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.12 +/- 2.35   0.242% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  24.07 +/- 7.06   0.337% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  22.48 +/- 4.41   0.145% *  0.0135% (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 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.24, residual support = 34.6:
    * O T HA    THR   26 - QG2   THR   26   2.61 +/- 0.30  69.132% * 98.4728% (1.00  10.0 10.00   3.24  34.59) =  99.933%  kept
          HA    ILE   19 - QG2   THR   26   6.36 +/- 2.25  21.420% *  0.1749% (0.25   1.0  1.00   0.14   0.02) =   0.055%
        T HA    GLU- 114 - QG2   THR   26  21.69 +/- 4.42   0.356% *  0.8225% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU  115 - QG2   THR   26  18.90 +/- 3.77   0.637% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   28 - QG2   THR   26   6.62 +/- 0.29   5.161% *  0.0304% (0.31   1.0  1.00   0.02   0.40) =   0.002%
          HA1   GLY  101 - QG2   THR   26  15.60 +/- 4.15   1.378% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QG2   THR   26   9.91 +/- 1.57   1.692% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG2   THR   26  19.28 +/- 2.79   0.224% *  0.0479% (0.49   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 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.6:
    * O T HB    THR   26 - QG2   THR   26   2.16 +/- 0.01  99.183% * 99.1149% (1.00  10.0 10.00   3.00  34.59) =  99.997%  kept
        T HA    SER  117 - QG2   THR   26  21.42 +/- 5.24   0.320% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASP-  62 - QG2   THR   26  15.11 +/- 3.03   0.498% *  0.0915% (0.92   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 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.2:
    * O T HB2   TRP   27 - HA    TRP   27   2.88 +/- 0.10  97.928% * 99.8554% (1.00  10.0 10.00   4.74 107.20) =  99.999%  kept
          HA    THR   77 - HA    TRP   27  15.44 +/- 5.47   1.722% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   93 - HA    TRP   27  20.76 +/- 3.12   0.350% *  0.0999% (1.00   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 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.2:
    * O T HB3   TRP   27 - HA    TRP   27   2.24 +/- 0.05  95.741% * 99.7166% (1.00  10.0 10.00   4.76 107.20) =  99.998%  kept
          QE    LYS+  99 - HA    TRP   27  13.40 +/- 3.61   1.501% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    TRP   27  16.35 +/- 3.80   1.349% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    TRP   27  15.42 +/- 3.40   0.607% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    TRP   27  16.61 +/- 2.57   0.290% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  14.36 +/- 2.15   0.511% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.2:
    * O T HA    TRP   27 - HB2   TRP   27   2.88 +/- 0.10  98.629% * 99.7755% (1.00  10.0 10.00   4.74 107.20) =  99.999%  kept
          HA    ALA   91 - HB2   TRP   27  19.58 +/- 4.71   0.720% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   TRP   27  20.02 +/- 2.63   0.370% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.71 +/- 4.12   0.281% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.2:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  97.435% * 99.7166% (1.00  10.0 10.00   4.97 107.20) =  99.999%  kept
          HB3   PHE   60 - HB2   TRP   27  16.61 +/- 4.25   1.239% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HB2   TRP   27  16.14 +/- 3.87   0.489% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HB2   TRP   27  14.94 +/- 3.76   0.481% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  16.58 +/- 2.84   0.157% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  15.92 +/- 2.64   0.198% *  0.0222% (0.22   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 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.2:
    * O T HA    TRP   27 - HB3   TRP   27   2.24 +/- 0.05  99.347% * 99.7755% (1.00  10.0 10.00   4.76 107.20) =  99.999%  kept
          HA    ALA   91 - HB3   TRP   27  19.06 +/- 4.53   0.317% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.97 +/- 2.35   0.198% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.89 +/- 3.87   0.138% *  0.0525% (0.53   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 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.2:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.130% * 99.8554% (1.00  10.0 10.00   4.97 107.20) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  13.51 +/- 5.48   0.757% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  19.08 +/- 2.97   0.113% *  0.0999% (1.00   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 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 105.7:
    * O T HB2   ASN   28 - HA    ASN   28   3.03 +/- 0.06  88.036% * 99.2152% (1.00  10.0 10.00   4.50 105.75) =  99.979%  kept
        T HB2   ASN   35 - HA    ASN   28  10.34 +/- 1.28   2.602% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.013%
          QE    LYS+  33 - HA    ASN   28   9.28 +/- 0.92   3.564% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HA    ASN   28  16.08 +/- 7.68   2.087% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HA    ASN   28  17.96 +/- 3.31   0.597% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   28  16.03 +/- 5.14   2.540% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  19.35 +/- 4.38   0.574% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 104.9:
    * O T HB3   ASN   28 - HA    ASN   28   2.57 +/- 0.15  89.794% * 87.0701% (1.00  10.0 10.00   4.19 105.75) =  98.996%  kept
          HG2   GLN   30 - HA    ASN   28   6.71 +/- 0.55   6.148% * 12.8756% (0.92   1.0  1.00   3.20  17.73) =   1.002%  kept
          QE    LYS+ 121 - HA    ASN   28  20.82 +/- 7.01   2.948% *  0.0390% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASN   28  22.30 +/- 7.44   1.111% *  0.0152% (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 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.47, residual support = 104.7:
    * O T HA    ASN   28 - HB2   ASN   28   3.03 +/- 0.06  64.617% * 92.9955% (1.00  10.0 10.00   4.50 105.75) =  98.896%  kept
          HA    ALA   34 - HB2   ASN   35   6.02 +/- 0.30   8.475% *  4.4533% (0.29   1.0  1.00   3.25  20.13) =   0.621%  kept
          HA    THR   26 - HB2   ASN   28   4.86 +/- 0.37  16.718% *  1.7025% (0.31   1.0  1.00   1.19   0.40) =   0.468%  kept
        T HA    ASN   28 - HB2   ASN   35  10.34 +/- 1.28   1.909% *  0.2893% (0.31   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA   34 - HB2   ASN   28  11.85 +/- 0.63   1.113% *  0.0880% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   35  11.44 +/- 4.31   3.270% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB2   ASN   28  16.74 +/- 4.16   0.760% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB2   ASN   28  29.61 +/-10.04   0.673% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   ASN   28  24.45 +/- 4.16   0.191% *  0.0928% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  19.70 +/- 7.61   0.567% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  27.79 +/- 4.70   0.139% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.73 +/- 3.99   0.127% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.84 +/- 0.91   0.708% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  27.63 +/- 8.95   0.317% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  25.51 +/- 2.36   0.118% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.76 +/- 2.64   0.083% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  29.95 +/- 3.18   0.076% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  25.84 +/- 4.48   0.140% *  0.0051% (0.05   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 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 = 5.44, residual support = 105.6:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  96.852% * 91.7600% (1.00  10.0 10.00   5.44 105.75) =  99.877%  kept
          HG2   GLN   30 - HB2   ASN   28   7.43 +/- 0.57   1.370% *  7.8532% (0.92   1.0  1.00   1.85  17.73) =   0.121%  kept
        T HB3   ASN   28 - HB2   ASN   35  11.04 +/- 1.25   0.445% *  0.2854% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HB2   ASN   28  22.88 +/- 7.25   0.534% *  0.0411% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.59 +/- 0.88   0.353% *  0.0263% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.49 +/- 7.68   0.177% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  21.21 +/- 5.97   0.137% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  23.33 +/- 7.03   0.132% *  0.0050% (0.05   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 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.19, residual support = 105.6:
    * O T HA    ASN   28 - HB3   ASN   28   2.57 +/- 0.15  88.102% * 98.3464% (1.00  10.0 10.00   4.19 105.75) =  99.885%  kept
          HA    THR   26 - HB3   ASN   28   6.25 +/- 0.52   8.210% *  1.1875% (0.31   1.0  1.00   0.78   0.40) =   0.112%  kept
          HA    ALA   34 - HB3   ASN   28  11.61 +/- 0.47   0.972% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB3   ASN   28  15.96 +/- 4.39   0.878% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB3   ASN   28  29.50 +/-10.12   1.010% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  24.42 +/- 4.03   0.186% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.75 +/- 4.46   0.125% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  19.82 +/- 7.64   0.416% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.06 +/- 3.89   0.100% *  0.0636% (0.65   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 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 105.7:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  98.118% * 99.2152% (1.00  10.0 10.00   5.44 105.75) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  11.04 +/- 1.25   0.451% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28  10.10 +/- 1.20   0.636% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  17.66 +/- 8.13   0.324% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  19.56 +/- 3.64   0.117% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  20.89 +/- 4.79   0.096% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  17.79 +/- 5.39   0.258% *  0.0153% (0.15   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 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 = 4.94, residual support = 92.3:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.96 +/- 0.18  55.485% * 98.3644% (1.00  10.0 10.00   4.94  92.35) =  99.957%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.34 +/- 1.08   2.827% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   GLU-  29 - HA    GLN   32   7.99 +/- 0.35   2.860% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   PHE   72 - HA    GLU-  29  14.40 +/- 2.66   0.884% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.006%
          QG    GLU-  14 - HA    GLU-  29  12.38 +/- 4.88   5.171% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PHE   72 - HA    LYS+  33  13.90 +/- 2.75   0.949% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    GLN   32  11.59 +/- 4.04  10.625% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    GLU-  29  12.75 +/- 4.73   2.979% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    LYS+  33  11.69 +/- 3.94   3.927% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  29  15.55 +/- 4.08   0.871% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    GLN   32  13.96 +/- 4.93   2.576% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  27.08 +/- 4.26   0.179% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  24.36 +/- 5.05   0.194% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  12.39 +/- 5.04   2.856% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  19.68 +/- 5.28   0.333% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  21.69 +/- 3.33   0.203% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.56 +/- 5.00   2.328% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.23 +/- 3.69   1.198% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  14.11 +/- 2.75   1.144% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  23.71 +/- 4.74   0.164% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  18.72 +/- 2.03   0.260% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  20.94 +/- 2.42   0.186% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.03 +/- 2.39   0.211% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.49 +/- 4.21   0.144% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  27.47 +/- 4.23   0.135% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.08 +/- 4.35   0.149% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  28.95 +/- 3.44   0.091% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.15 +/- 4.03   0.216% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.13 +/- 3.45   0.161% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  19.49 +/- 1.50   0.213% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.81 +/- 1.97   0.249% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  24.33 +/- 4.16   0.133% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  25.99 +/- 3.07   0.096% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.22 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.862, support = 5.19, residual support = 91.4:
      O   HB3   GLU-  29 - HA    GLU-  29   2.64 +/- 0.15  39.279% * 43.8683% (0.80  10.0  1.00   5.21  92.35) =  64.064%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.50 +/- 0.21  17.151% * 54.7849% (1.00  10.0 10.00   5.22  92.35) =  34.935%  kept
          QB    GLU-  36 - HA    LYS+  33   3.33 +/- 0.95  27.748% *  0.9587% (0.13   1.0  1.00   2.62   0.02) =   0.989%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.53 +/- 1.51   1.015% *  0.1503% (0.27   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  38 - HA    LYS+  33   8.61 +/- 1.25   3.577% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   9.17 +/- 1.57   1.056% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    LYS+  33   7.31 +/- 1.47   2.298% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    GLU-  29  13.76 +/- 1.66   0.482% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.42 +/- 0.70   2.952% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.42 +/- 0.39   1.772% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   8.80 +/- 0.35   1.072% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32   9.97 +/- 1.27   1.154% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  20.03 +/- 6.22   0.159% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  27.35 +/- 5.11   0.045% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  21.63 +/- 4.74   0.099% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  28.04 +/- 4.70   0.040% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  22.71 +/- 4.33   0.074% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  29.93 +/- 3.42   0.029% *  0.0142% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.68, residual support = 92.3:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.44 +/- 0.48  87.127% * 99.0116% (1.00  10.0 10.00   4.68  92.35) =  99.974%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.51 +/- 1.69   4.886% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   GLU-  29 - HA    GLN   32   7.51 +/- 0.63   3.596% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.009%
          HB3   ASP-  86 - HA    GLU-  29  20.36 +/- 7.45   0.471% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    GLU-  29  22.22 +/- 3.69   0.266% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  19.98 +/- 7.14   0.600% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  21.67 +/- 3.27   0.194% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  24.85 +/- 3.39   0.126% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  18.86 +/- 3.02   0.329% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  22.14 +/- 6.04   0.271% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.96 +/- 1.91   0.153% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  22.61 +/- 2.38   0.171% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.96 +/- 3.15   0.188% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.35 +/- 2.32   0.139% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  22.52 +/- 3.14   0.179% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  17.41 +/- 3.21   0.475% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.91 +/- 3.08   0.111% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  18.80 +/- 2.16   0.297% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.22 +/- 3.02   0.110% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.22 +/- 1.43   0.146% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.21 +/- 1.55   0.164% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.94, residual support = 92.3:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.96 +/- 0.18  85.331% * 98.1508% (1.00  10.0 10.00   4.94  92.35) =  99.921%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.34 +/- 1.08   4.452% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.049%
        T HA    GLN   32 - HB2   GLU-  29   7.99 +/- 0.35   4.425% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.023%
          HA    VAL   18 - HB2   GLU-  29  12.57 +/- 2.57   3.250% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   SER   82 - HB2   GLU-  29  20.66 +/- 9.90   0.915% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  15.69 +/- 2.53   0.774% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB2   GLU-  29  25.94 +/- 5.32   0.301% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  25.76 +/- 5.02   0.221% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  25.04 +/- 5.56   0.201% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  28.30 +/- 3.84   0.129% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.873, support = 4.52, residual support = 92.3:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  68.461% * 44.1051% (0.80  10.0  1.00   4.54  92.35) =  63.957%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.29 +/- 0.04  30.892% * 55.0806% (1.00  10.0 10.00   4.48  92.35) =  36.041%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  19.12 +/- 7.10   0.118% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLN   90 - HB2   GLU-  29  26.99 +/- 5.23   0.025% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29  10.60 +/- 1.67   0.379% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  15.45 +/- 1.53   0.125% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 92.3:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.89 +/- 0.08  97.887% * 99.6674% (1.00  10.0 10.00   4.15  92.35) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  20.80 +/- 7.40   0.566% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB2   GLU-  29  21.71 +/- 3.75   0.415% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  21.33 +/- 3.45   0.299% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  24.28 +/- 3.56   0.209% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  19.31 +/- 2.85   0.386% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  22.90 +/- 2.37   0.238% *  0.0249% (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 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.68, residual support = 92.3:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.44 +/- 0.48  87.402% * 98.1508% (1.00  10.0 10.00   4.68  92.35) =  99.924%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.51 +/- 1.69   4.895% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.053%
        T HA    GLN   32 - HG2   GLU-  29   7.51 +/- 0.63   3.603% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.019%
          HA    VAL   18 - HG2   GLU-  29  13.92 +/- 3.14   2.381% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HG2   GLU-  29  21.41 +/- 9.96   0.624% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG2   GLU-  29  16.75 +/- 2.82   0.546% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  27.33 +/- 5.75   0.169% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  27.20 +/- 5.08   0.153% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  25.88 +/- 5.77   0.137% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  29.83 +/- 4.01   0.089% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 92.3:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.89 +/- 0.08  81.255% * 99.5124% (1.00  10.0 10.00   4.15  92.35) =  99.993%  kept
          QG    GLU-  14 - HG2   GLU-  29  12.59 +/- 5.18  12.230% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - HG2   GLU-  29  13.21 +/- 4.83   3.435% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HG2   GLU-  29  15.65 +/- 2.62   0.751% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  17.51 +/- 4.03   0.628% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  20.26 +/- 5.68   0.485% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  25.37 +/- 5.64   0.261% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  27.99 +/- 4.36   0.209% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  23.17 +/- 3.77   0.230% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  24.36 +/- 4.98   0.218% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  19.79 +/- 2.26   0.297% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.38 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.22, residual support = 92.3:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  78.372% * 55.3193% (1.00  10.0 10.00   4.18  92.35) =  82.496%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.79 +/- 0.20  20.763% * 44.2962% (0.80  10.0 10.00   4.41  92.35) =  17.501%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.56 +/- 2.10   0.545% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HG2   GLU-  29  15.44 +/- 1.99   0.193% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  20.58 +/- 6.62   0.100% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  28.06 +/- 5.34   0.027% *  0.0523% (0.95   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 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 = 0.943, support = 4.89, residual support = 159.8:
    * O T HB2   GLN   30 - HA    GLN   30   2.79 +/- 0.20  49.751% * 53.1933% (1.00  10.0 10.00   4.80 159.82) =  56.744%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.00 +/- 0.61  43.716% * 46.1414% (0.87  10.0 10.00   5.02 159.82) =  43.251%  kept
          HB3   PRO   68 - HA    GLN   30  16.58 +/- 3.94   2.268% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    GLN   30  14.05 +/- 4.54   0.969% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   93 - HA    GLN   30  22.05 +/- 2.68   0.114% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLN   30  12.77 +/- 3.57   1.564% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  22.91 +/- 5.08   0.222% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  11.89 +/- 3.67   1.178% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.67 +/- 2.95   0.057% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  23.56 +/- 2.20   0.095% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  27.22 +/- 4.18   0.066% *  0.0461% (0.87   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 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.21, residual support = 157.9:
    * O T HB3   GLN   30 - HA    GLN   30   2.85 +/- 0.17  60.309% * 97.5466% (1.00  10.0 10.00   5.26 159.82) =  98.795%  kept
          QB    LYS+  33 - HA    GLN   30   3.73 +/- 0.90  36.736% *  1.9480% (0.25   1.0  1.00   1.60   0.30) =   1.202%  kept
          HB3   LYS+  38 - HA    GLN   30  12.38 +/- 1.41   1.031% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - HA    GLN   30  22.65 +/- 3.68   0.203% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  25.06 +/- 3.73   0.142% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.33 +/- 2.89   0.137% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  18.13 +/- 2.04   0.267% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  20.70 +/- 5.89   0.271% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  18.11 +/- 3.15   0.383% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  18.40 +/- 3.34   0.300% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  25.94 +/- 4.32   0.101% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.31 +/- 4.37   0.121% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 159.2:
    * O T HG2   GLN   30 - HA    GLN   30   2.91 +/- 0.54  81.788% * 93.8952% (1.00  10.0 10.00   5.78 159.82) =  99.544%  kept
          HB3   ASN   28 - HA    GLN   30   7.62 +/- 0.14   5.731% *  6.0083% (0.92   1.0  1.00   1.39  17.73) =   0.446%  kept
          QE    LYS+ 121 - HA    GLN   30  19.94 +/- 6.25  10.696% *  0.0645% (0.69   1.0  1.00   0.02   0.02) =   0.009%
          HB3   HIS  122 - HA    GLN   30  21.08 +/- 6.77   1.785% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 159.8:
    * O T HA    GLN   30 - HB2   GLN   30   2.79 +/- 0.20  89.526% * 99.6678% (1.00  10.0 10.00   4.80 159.82) =  99.997%  kept
          HB    THR   39 - HB2   GLN   30  10.14 +/- 2.59   4.285% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB2   GLN   30  13.85 +/- 3.09   1.861% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB2   GLN   30  18.78 +/- 7.92   0.899% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB2   GLN   30   9.98 +/- 1.76   2.351% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  22.04 +/- 2.91   0.276% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.74 +/- 3.65   0.163% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.73 +/- 3.51   0.349% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  20.61 +/- 3.59   0.291% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  94.957% * 98.9590% (1.00  10.0 10.00   5.05 159.82) =  99.998%  kept
          QB    LYS+  33 - HB2   GLN   30   5.63 +/- 0.83   3.696% *  0.0247% (0.25   1.0  1.00   0.02   0.30) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  16.39 +/- 2.09   0.142% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  13.16 +/- 1.21   0.252% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.17 +/- 4.38   0.060% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  21.00 +/- 3.77   0.112% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.58 +/- 3.62   0.091% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.24 +/- 2.96   0.072% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  16.52 +/- 3.42   0.321% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  18.74 +/- 5.68   0.141% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  19.04 +/- 3.54   0.103% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  23.48 +/- 4.26   0.052% *  0.0305% (0.31   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 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 159.4:
    * O T HG2   GLN   30 - HB2   GLN   30   2.67 +/- 0.28  81.817% * 94.4155% (1.00  10.0 10.00   5.57 159.82) =  99.705%  kept
          HB3   ASN   28 - HB2   GLN   30   7.43 +/- 0.75   4.001% *  5.4874% (0.92   1.0  1.00   1.26  17.73) =   0.283%  kept
          QE    LYS+ 121 - HB2   GLN   30  18.80 +/- 6.31  12.372% *  0.0649% (0.69   1.0  1.00   0.02   0.02) =   0.010%
          HB3   HIS  122 - HB2   GLN   30  19.80 +/- 6.59   1.809% *  0.0322% (0.34   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 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 159.8:
    * O T HA    GLN   30 - HB3   GLN   30   2.85 +/- 0.17  90.004% * 99.5115% (1.00  10.0 10.00   5.26 159.82) =  99.996%  kept
          HB    THR   39 - HB3   GLN   30  10.30 +/- 2.60   4.246% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB3   GLN   30  18.71 +/- 8.21   1.051% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HB3   GLN   30  21.74 +/- 3.40   0.296% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB3   GLN   30  10.06 +/- 1.58   2.527% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  14.11 +/- 2.84   1.113% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  22.15 +/- 2.96   0.280% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.87 +/- 3.52   0.155% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  20.52 +/- 3.63   0.329% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.972, support = 5.1, residual support = 159.8:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  74.928% * 53.1733% (1.00  10.0 10.00   5.05 159.82) =  78.842%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.65 +/- 0.24  23.179% * 46.1240% (0.87  10.0  1.00   5.27 159.82) =  21.157%  kept
          HB3   GLU- 100 - HB3   GLN   30  14.03 +/- 4.16   0.536% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - HB3   GLN   30  25.13 +/- 4.15   0.037% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  21.13 +/- 5.15   0.176% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  16.20 +/- 3.51   0.362% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.72 +/- 2.93   0.349% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  12.74 +/- 3.02   0.291% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  21.19 +/- 2.36   0.048% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.57 +/- 2.65   0.064% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.42 +/- 3.07   0.029% *  0.0118% (0.22   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 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 = 0.999, support = 6.03, residual support = 159.2:
    * O T HG2   GLN   30 - HB3   GLN   30   2.74 +/- 0.30  79.548% * 93.4933% (1.00  10.0 10.00   6.05 159.82) =  99.578%  kept
          HB3   ASN   28 - HB3   GLN   30   7.40 +/- 0.66   4.332% *  5.9679% (0.92   1.0  1.00   1.38  17.73) =   0.346%  kept
          QE    LYS+ 121 - HB3   GLN   30  18.67 +/- 6.32  10.783% *  0.5069% (0.69   1.0  1.00   0.16   0.02) =   0.073%
          HB3   HIS  122 - HB3   GLN   30  19.71 +/- 6.65   5.337% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 159.8:
    * O T HA    GLN   30 - HG2   GLN   30   2.91 +/- 0.54  86.210% * 99.6678% (1.00  10.0 10.00   5.78 159.82) =  99.996%  kept
          HB    THR   39 - HG2   GLN   30  11.02 +/- 3.29   5.916% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   13 - HG2   GLN   30  13.15 +/- 3.08   2.530% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG2   GLN   30  20.10 +/- 8.31   1.031% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HG2   GLN   30  10.64 +/- 2.33   2.951% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HG2   GLN   30  22.50 +/- 3.30   0.335% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.18 +/- 3.95   0.207% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  21.90 +/- 3.97   0.435% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  21.89 +/- 3.90   0.385% *  0.0154% (0.15   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 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.902, support = 6.33, residual support = 159.8:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  74.406% * 46.1414% (0.87  10.0 10.00   6.60 159.82) =  73.634%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.67 +/- 0.28  23.108% * 53.1933% (1.00  10.0 10.00   5.57 159.82) =  26.364%  kept
        T HB2   PRO   93 - HG2   GLN   30  20.39 +/- 2.98   0.058% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  16.17 +/- 3.87   0.611% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  15.71 +/- 4.52   0.279% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  11.80 +/- 3.42   0.942% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  21.65 +/- 5.44   0.151% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.18 +/- 3.47   0.028% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  12.04 +/- 2.98   0.340% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  22.65 +/- 2.57   0.039% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.24 +/- 4.64   0.039% *  0.0461% (0.87   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 159.8:
    * O T HB3   GLN   30 - HG2   GLN   30   2.74 +/- 0.30  84.283% * 99.4599% (1.00  10.0 10.00   6.05 159.82) =  99.994%  kept
          QB    LYS+  33 - HG2   GLN   30   6.02 +/- 0.94  11.390% *  0.0248% (0.25   1.0  1.00   0.02   0.30) =   0.003%
          HB3   LYS+  38 - HG2   GLN   30  14.21 +/- 1.55   0.861% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HG2   GLN   30  21.07 +/- 4.14   0.520% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG2   GLN   30  21.67 +/- 3.31   0.288% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  23.59 +/- 3.84   0.245% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  19.63 +/- 6.18   0.425% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  17.64 +/- 2.48   0.381% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  17.82 +/- 3.73   0.680% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  18.18 +/- 3.65   0.524% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  24.61 +/- 4.63   0.153% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.33 +/- 4.81   0.249% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 231.7:
    * O T HB2   LEU   31 - HA    LEU   31   2.95 +/- 0.16  72.377% * 99.2507% (1.00  10.0 10.00   6.00 231.74) =  99.972%  kept
          HG2   LYS+  99 - HA    LEU   31  10.03 +/- 3.80  14.077% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.016%
          HG2   LYS+  38 - HA    LEU   31   9.34 +/- 1.42   3.881% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - HA    LEU   31  10.10 +/- 3.18   5.312% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   63 - HA    LEU   31  15.32 +/- 2.83   0.871% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   31  17.42 +/- 6.45   0.766% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LEU   31  14.96 +/- 2.09   0.721% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LEU   31  21.57 +/- 6.81   0.671% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   31  17.02 +/- 3.78   0.547% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  18.51 +/- 3.48   0.411% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.62 +/- 2.60   0.110% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.31 +/- 2.23   0.254% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.7:
    * O T HB3   LEU   31 - HA    LEU   31   2.38 +/- 0.11  95.764% * 99.6763% (1.00  10.0 10.00   6.00 231.74) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.46 +/- 1.24   1.036% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.78 +/- 0.73   1.126% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LEU   31  20.36 +/- 4.40   0.505% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HA    LEU   31  20.92 +/- 6.84   0.783% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.23 +/- 1.36   0.340% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  24.49 +/- 2.71   0.105% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  15.94 +/- 1.25   0.342% *  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 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.99, residual support = 231.4:
    * O T HG    LEU   31 - HA    LEU   31   3.11 +/- 0.52  55.695% * 99.1426% (0.80  10.0 10.00   6.00 231.74) =  99.859%  kept
          QD2   LEU   73 - HA    LEU   31   8.38 +/- 3.25  10.478% *  0.6328% (0.92   1.0  1.00   0.11   0.41) =   0.120%  kept
          QG1   VAL   41 - HA    LEU   31   5.21 +/- 2.30  31.583% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.018%
          HG3   LYS+ 121 - HA    LEU   31  20.18 +/- 6.77   1.912% *  0.0701% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LEU   31  18.24 +/- 2.12   0.331% *  0.1235% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.7:
    *   T QD1   LEU   31 - HA    LEU   31   3.61 +/- 0.41 100.000% *100.0000% (1.00 10.00   4.85 231.74) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.25 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.7:
    *   T QD2   LEU   31 - HA    LEU   31   2.88 +/- 0.69  89.390% * 99.6345% (1.00 10.00   5.74 231.74) =  99.978%  kept
        T QG2   VAL   43 - HA    LEU   31   9.51 +/- 3.12   6.888% *  0.2484% (0.25 10.00   0.02   0.02) =   0.019%
          QG2   VAL   83 - HA    LEU   31  13.47 +/- 4.78   2.698% *  0.0723% (0.73  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HA    LEU   31  15.32 +/- 2.88   1.024% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 2.96 A violated in 0 structures by 0.28 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.7:
    * O T HA    LEU   31 - HB2   LEU   31   2.95 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.74) = 100.000%  kept
    Distance limit 3.63 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 = 231.7:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.338% * 99.6763% (1.00  10.0 10.00   6.00 231.74) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.65 +/- 0.73   0.630% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  11.82 +/- 1.29   0.395% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.78 +/- 4.86   0.116% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  22.45 +/- 7.42   0.256% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  25.54 +/- 2.84   0.036% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.25 +/- 1.37   0.111% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  16.89 +/- 1.36   0.118% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 231.7:
    * O T HG    LEU   31 - HB2   LEU   31   2.69 +/- 0.29  82.256% * 99.6594% (0.80  10.0 10.00   6.02 231.74) =  99.987%  kept
          QD2   LEU   73 - HB2   LEU   31   9.46 +/- 3.18   5.101% *  0.1149% (0.92   1.0  1.00   0.02   0.41) =   0.007%
          QG1   VAL   41 - HB2   LEU   31   6.89 +/- 2.32  11.281% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - HB2   LEU   31  21.70 +/- 7.39   1.070% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   LEU   31  19.28 +/- 2.33   0.292% *  0.1242% (1.00   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 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.7:
    * O T QD1   LEU   31 - HB2   LEU   31   2.64 +/- 0.24 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.74) = 100.000%  kept
    Distance limit 3.36 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 = 231.7:
    * O T QD2   LEU   31 - HB2   LEU   31   2.62 +/- 0.52  91.898% * 99.6345% (1.00  10.0 10.00   5.75 231.74) =  99.984%  kept
        T QG2   VAL   43 - HB2   LEU   31  10.06 +/- 3.51   5.092% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.014%
          QG2   VAL   83 - HB2   LEU   31  13.36 +/- 5.32   2.105% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB2   LEU   31  15.47 +/- 3.33   0.906% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.7:
    * O T HA    LEU   31 - HB3   LEU   31   2.38 +/- 0.11 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.74) = 100.000%  kept
    Distance limit 3.33 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 = 231.7:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  91.872% * 99.2507% (1.00  10.0 10.00   6.00 231.74) =  99.994%  kept
          HG2   LYS+  99 - HB3   LEU   31  10.76 +/- 3.55   2.505% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HB3   LEU   31  10.06 +/- 3.71   2.900% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HB3   LEU   31   9.92 +/- 2.22   1.481% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   LEU   31  17.02 +/- 6.63   0.240% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  15.98 +/- 3.24   0.209% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.25 +/- 2.34   0.195% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.11 +/- 6.98   0.181% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  16.48 +/- 4.30   0.177% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  17.82 +/- 4.29   0.139% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.72 +/- 2.64   0.028% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.36 +/- 2.53   0.072% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.98, residual support = 230.6:
    * O T HG    LEU   31 - HB3   LEU   31   2.83 +/- 0.17  69.500% * 93.2436% (0.80  10.0 10.00   6.01 231.74) =  99.485%  kept
        T QD2   LEU   73 - HB3   LEU   31   9.09 +/- 2.97   5.369% *  5.9519% (0.92   1.0 10.00   0.11   0.41) =   0.491%  kept
        T HG3   LYS+ 121 - HB3   LEU   31  20.75 +/- 7.06   1.296% *  0.6593% (0.57   1.0 10.00   0.02   0.02) =   0.013%
          QG1   VAL   41 - HB3   LEU   31   5.96 +/- 2.33  23.565% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.011%
          QD1   ILE   56 - HB3   LEU   31  18.67 +/- 2.13   0.270% *  0.1162% (1.00   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 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.7:
    * O T QD1   LEU   31 - HB3   LEU   31   2.13 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.74) = 100.000%  kept
    Distance limit 3.25 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 = 231.7:
    * O T QD2   LEU   31 - HB3   LEU   31   2.86 +/- 0.32  89.109% * 99.6345% (1.00  10.0 10.00   5.74 231.74) =  99.977%  kept
        T QG2   VAL   43 - HB3   LEU   31   9.44 +/- 3.42   7.367% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.021%
          QG2   VAL   83 - HB3   LEU   31  13.00 +/- 5.12   2.587% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB3   LEU   31  14.92 +/- 3.39   0.937% *  0.0447% (0.45   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 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 6.0, residual support = 231.7:
    * O T HA    LEU   31 - HG    LEU   31   3.11 +/- 0.52 100.000% *100.0000% (0.80  10.0 10.00   6.00 231.74) = 100.000%  kept
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.7:
    * O T HB2   LEU   31 - HG    LEU   31   2.69 +/- 0.29  79.293% * 99.2507% (0.80  10.0 10.00   6.02 231.74) =  99.982%  kept
          HG2   LYS+  99 - HG    LEU   31  12.11 +/- 3.86   5.271% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   98 - HG    LEU   31  10.89 +/- 3.42   7.004% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HG    LEU   31  11.68 +/- 2.20   2.861% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - HG    LEU   31  15.66 +/- 7.18   1.246% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HG    LEU   31  15.26 +/- 3.88   1.321% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  14.28 +/- 2.42   0.942% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   31  22.24 +/- 6.67   0.480% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  15.56 +/- 4.44   0.728% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  17.39 +/- 4.10   0.491% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.97 +/- 3.31   0.110% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.36 +/- 2.31   0.254% *  0.0372% (0.30   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 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.7:
    * O T HB3   LEU   31 - HG    LEU   31   2.83 +/- 0.17  90.482% * 99.4283% (0.80  10.0 10.00   6.01 231.74) =  99.992%  kept
        T HG2   LYS+ 121 - HG    LEU   31  21.60 +/- 6.99   1.101% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   20 - HG    LEU   31  10.53 +/- 1.21   2.791% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - HG    LEU   31   8.61 +/- 0.83   3.694% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HG    LEU   31  20.43 +/- 4.78   0.644% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG    LEU   31  23.85 +/- 3.46   0.175% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.14 +/- 1.92   0.524% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.71 +/- 1.90   0.590% *  0.0135% (0.11   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 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.99, residual support = 231.7:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.99 231.74) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 231.7:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  93.555% * 99.6345% (0.80  10.0 10.00   5.90 231.74) =  99.987%  kept
        T QG2   VAL   43 - HG    LEU   31   8.83 +/- 3.49   4.467% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.012%
          QG2   VAL   83 - HG    LEU   31  12.15 +/- 5.37   1.492% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HG    LEU   31  14.28 +/- 3.41   0.486% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.7:
    *   T HA    LEU   31 - QD1   LEU   31   3.61 +/- 0.41 100.000% *100.0000% (1.00 10.00   4.85 231.74) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.7:
    * O T HB2   LEU   31 - QD1   LEU   31   2.64 +/- 0.24  66.751% * 99.2507% (1.00  10.0 10.00   4.86 231.74) =  99.968%  kept
          HG    LEU   98 - QD1   LEU   31   8.38 +/- 3.26  16.854% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.013%
          HG2   LYS+  99 - QD1   LEU   31  10.01 +/- 3.04   3.351% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  38 - QD1   LEU   31   9.98 +/- 2.24   3.320% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QD1   LEU   31  12.60 +/- 5.82   2.093% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QD1   LEU   31  12.82 +/- 3.39   1.969% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QD1   LEU   31  11.66 +/- 2.32   1.837% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD1   LEU   31  18.58 +/- 5.53   0.976% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   31  12.32 +/- 3.90   1.323% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD1   LEU   31  13.59 +/- 3.98   0.950% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   31  21.16 +/- 3.02   0.162% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.69 +/- 2.33   0.416% *  0.0372% (0.38   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 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.7:
    * O T HB3   LEU   31 - QD1   LEU   31   2.13 +/- 0.19  91.956% * 99.6763% (1.00  10.0 10.00   4.86 231.74) =  99.996%  kept
          QG1   VAL   24 - QD1   LEU   31   7.36 +/- 0.93   2.980% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31   9.68 +/- 1.11   2.005% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD1   LEU   31  16.98 +/- 4.01   0.458% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.78 +/- 6.09   1.496% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  13.06 +/- 1.79   0.459% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  19.60 +/- 2.93   0.138% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.68 +/- 1.91   0.507% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.99, residual support = 231.7:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  79.172% * 99.6594% (0.80  10.0 10.00   4.99 231.74) =  99.986%  kept
          QD2   LEU   73 - QD1   LEU   31   7.09 +/- 2.14   4.495% *  0.1149% (0.92   1.0  1.00   0.02   0.41) =   0.007%
          QG1   VAL   41 - QD1   LEU   31   5.60 +/- 1.73  14.090% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 121 - QD1   LEU   31  17.19 +/- 6.08   1.949% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - QD1   LEU   31  14.85 +/- 2.46   0.294% *  0.1242% (1.00   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 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 = 231.6:
    * O T QD2   LEU   31 - QD1   LEU   31   2.02 +/- 0.07  82.452% * 99.6345% (1.00  10.0 10.00   4.62 231.74) =  99.956%  kept
        T QG2   VAL   43 - QD1   LEU   31   6.89 +/- 3.13  13.292% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.040%
          QG2   VAL   83 - QD1   LEU   31   9.47 +/- 4.64   3.334% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - QD1   LEU   31  11.18 +/- 3.27   0.922% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.7:
    *   T HA    LEU   31 - QD2   LEU   31   2.88 +/- 0.69  92.840% * 99.9324% (1.00 10.00   5.74 231.74) =  99.995%  kept
        T HA    LEU   31 - QG2   VAL   43   9.51 +/- 3.12   7.160% *  0.0676% (0.07 10.00   0.02   0.02) =   0.005%
    Distance limit 3.06 A violated in 0 structures by 0.23 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 231.4:
    * O T HB2   LEU   31 - QD2   LEU   31   2.62 +/- 0.52  46.404% * 97.8710% (1.00  10.0 10.00   5.75 231.74) =  99.839%  kept
          HB3   ASP-  44 - QG2   VAL   43   5.87 +/- 0.57   5.903% *  0.9170% (0.05   1.0  1.00   3.46  16.35) =   0.119%  kept
        T QB    ALA   84 - QD2   LEU   31  12.48 +/- 3.89   0.941% *  0.4024% (0.41   1.0 10.00   0.02   0.02) =   0.008%
          HG2   LYS+  99 - QD2   LEU   31  10.26 +/- 3.30   4.386% *  0.0817% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - QD2   LEU   31   8.92 +/- 3.04   6.731% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LEU   80 - QD2   LEU   31  12.47 +/- 6.21   1.838% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LEU   31 - QG2   VAL   43  10.06 +/- 3.51   2.522% *  0.0662% (0.07   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU   63 - QD2   LEU   31  12.21 +/- 3.17   1.181% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD2   LEU   31  10.24 +/- 1.47   1.256% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD2   LEU   31  11.43 +/- 2.07   1.093% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD2   LEU   31  18.41 +/- 5.69   0.622% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   VAL   43   6.61 +/- 1.99  10.208% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QG2   VAL   43   8.09 +/- 3.28   5.415% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   31  14.13 +/- 3.55   0.545% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.53 +/- 2.04   0.402% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  21.09 +/- 2.48   0.130% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.10 +/- 1.75   1.580% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.42 +/- 1.67   3.254% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   7.96 +/- 1.11   2.449% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.22 +/- 1.36   0.780% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   9.39 +/- 1.29   1.460% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  16.24 +/- 2.15   0.281% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.40 +/- 1.28   0.375% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.77 +/- 2.77   0.245% *  0.0043% (0.04   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 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.7:
    * O T HB3   LEU   31 - QD2   LEU   31   2.86 +/- 0.32  59.979% * 99.5873% (1.00  10.0 10.00   5.74 231.74) =  99.981%  kept
        T HB3   LEU   31 - QG2   VAL   43   9.44 +/- 3.42   5.016% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   24 - QD2   LEU   31   6.73 +/- 0.91   6.429% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   20 - QD2   LEU   31   8.23 +/- 1.08   3.279% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  119 - QD2   LEU   31  16.54 +/- 4.21   1.331% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QD2   LEU   31  17.71 +/- 6.27   3.132% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG2   VAL   43  10.17 +/- 3.80   6.025% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  19.35 +/- 2.61   0.267% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  13.16 +/- 1.41   0.809% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.76 +/- 1.48   0.812% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   9.68 +/- 2.34   2.784% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.06 +/- 1.29   5.218% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.69 +/- 2.24   0.772% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  14.55 +/- 2.61   0.786% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.65 +/- 1.05   2.788% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.71 +/- 3.51   0.575% *  0.0019% (0.02   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 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.83, residual support = 229.0:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  56.556% * 93.9064% (0.80  10.0 10.00   5.90 231.74) =  98.809%  kept
          QD2   LEU   73 - QD2   LEU   31   6.19 +/- 2.95  10.833% *  4.9822% (0.92   1.0  1.00   0.92   0.41) =   1.004%  kept
          QG1   VAL   41 - QD2   LEU   31   5.47 +/- 2.04  10.332% *  0.5753% (0.25   1.0  1.00   0.39   0.02) =   0.111%  kept
          QD2   LEU   73 - QG2   VAL   43   5.28 +/- 1.75  13.715% *  0.2747% (0.06   1.0  1.00   0.75   2.53) =   0.070%
        T HG    LEU   31 - QG2   VAL   43   8.83 +/- 3.49   2.700% *  0.0636% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - QD2   LEU   31  17.08 +/- 6.29   1.890% *  0.0664% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - QD2   LEU   31  14.42 +/- 2.16   0.235% *  0.1170% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - QG2   VAL   43   6.14 +/- 1.04   2.975% *  0.0020% (0.02   1.0  1.00   0.02   1.46) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.85 +/- 1.60   0.559% *  0.0079% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  15.24 +/- 3.20   0.205% *  0.0045% (0.04   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 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.7:
    * O T QD1   LEU   31 - QD2   LEU   31   2.02 +/- 0.07  86.115% * 99.9324% (1.00  10.0 10.00   4.62 231.74) =  99.989%  kept
        T QD1   LEU   31 - QG2   VAL   43   6.89 +/- 3.13  13.885% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.011%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.69, support = 3.44, residual support = 39.2:
    * O T QB    GLN   32 - HA    GLN   32   2.49 +/- 0.08  41.860% * 48.6885% (0.69  10.0 10.00   3.20  45.32) =  79.709%  kept
        T QB    GLN   32 - HA    LYS+  33   3.99 +/- 0.14  10.158% * 50.1038% (0.71   1.0 10.00   4.48  15.57) =  19.904%  kept
        T QB    GLN   32 - HA    GLU-  29   2.91 +/- 0.48  29.359% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.364%  kept
          HG3   GLU- 100 - HA    GLN   32  12.16 +/- 4.33  10.704% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.016%
          HG3   GLU- 100 - HA    LYS+  33  12.28 +/- 4.18   1.281% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   24 - HA    GLU-  29  10.77 +/- 0.51   0.536% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    GLU-  29  13.92 +/- 5.65   3.035% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLN   32  14.19 +/- 0.84   0.235% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.82 +/- 3.68   0.226% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  18.64 +/- 4.39   0.205% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  15.65 +/- 5.61   1.095% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  19.39 +/- 4.80   0.278% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  16.10 +/- 4.26   0.319% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.28 +/- 0.66   0.153% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  27.20 +/- 2.82   0.038% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  26.92 +/- 3.10   0.039% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  26.58 +/- 3.75   0.049% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.70 +/- 4.43   0.357% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  31.10 +/- 3.83   0.025% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  32.07 +/- 3.68   0.022% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  30.17 +/- 3.91   0.027% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.69, support = 3.42, residual support = 40.4:
    * O T QG    GLN   32 - HA    GLN   32   2.19 +/- 0.28  71.365% * 48.7402% (0.69  10.0 10.00   3.20  45.32) =  83.519%  kept
        T QG    GLN   32 - HA    LYS+  33   4.60 +/- 0.57  13.614% * 50.1570% (0.71   1.0 10.00   4.55  15.57) =  16.396%  kept
        T QG    GLN   32 - HA    GLU-  29   4.71 +/- 0.58   9.251% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.070%
        T HB2   GLU- 100 - HA    GLN   32  12.16 +/- 4.57   3.076% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   GLU- 100 - HA    LYS+  33  12.53 +/- 4.20   0.987% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    GLU-  29  16.08 +/- 4.29   0.391% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU-  29  18.14 +/- 6.15   0.271% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  19.70 +/- 4.65   0.150% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  20.57 +/- 4.40   0.115% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  28.87 +/- 3.65   0.039% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  28.23 +/- 4.64   0.050% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.21 +/- 1.55   0.073% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.22 +/- 1.43   0.065% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.96 +/- 1.91   0.071% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.96 +/- 3.15   0.081% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.22 +/- 3.02   0.067% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  23.35 +/- 2.32   0.063% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.91 +/- 3.08   0.060% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  21.67 +/- 3.27   0.086% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  24.85 +/- 3.39   0.083% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  28.27 +/- 3.50   0.040% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.705, support = 3.45, residual support = 38.7:
    * O T HA    GLN   32 - QB    GLN   32   2.49 +/- 0.08  50.565% * 46.7473% (0.69  10.0 10.00   3.20  45.32) =  78.136%  kept
        T HA    LYS+  33 - QB    GLN   32   3.99 +/- 0.14  12.299% * 52.0093% (0.76   1.0 10.00   4.48  15.57) =  21.144%  kept
        T HA    GLU-  29 - QB    GLN   32   2.91 +/- 0.48  35.573% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.718%  kept
          HA    VAL   18 - QB    GLN   32  13.29 +/- 2.69   0.504% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    GLN   32  19.08 +/- 8.28   0.352% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - QB    GLN   32  27.26 +/- 2.95   0.042% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.61 +/- 2.45   0.425% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  22.66 +/- 4.93   0.091% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  25.12 +/- 3.68   0.060% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  24.16 +/- 3.93   0.090% *  0.0305% (0.45   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 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.22, residual support = 45.3:
    * O T QG    GLN   32 - QB    GLN   32   2.11 +/- 0.02  97.808% * 99.7611% (1.00  10.0 10.00   3.22  45.32) =  99.999%  kept
          HB2   GLU- 100 - QB    GLN   32  12.59 +/- 4.08   1.449% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  17.36 +/- 4.88   0.345% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.72 +/- 1.48   0.109% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  20.08 +/- 2.90   0.134% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  22.97 +/- 2.80   0.087% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  25.86 +/- 3.57   0.069% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.701, support = 3.43, residual support = 40.1:
    * O T HA    GLN   32 - QG    GLN   32   2.19 +/- 0.28  74.048% * 46.7583% (0.69  10.0 10.00   3.20  45.32) =  82.404%  kept
        T HA    LYS+  33 - QG    GLN   32   4.60 +/- 0.57  14.097% * 52.0216% (0.76   1.0 10.00   4.55  15.57) =  17.453%  kept
        T HA    GLU-  29 - QG    GLN   32   4.71 +/- 0.58   9.590% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.139%  kept
          HA    VAL   18 - QG    GLN   32  14.62 +/- 3.11   1.278% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN  116 - QG    GLN   32  25.11 +/- 3.88   0.075% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG    GLN   32  20.02 +/- 8.18   0.267% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.45 +/- 2.47   0.446% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  26.37 +/- 3.65   0.067% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  23.50 +/- 5.17   0.084% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.50 +/- 3.30   0.047% *  0.0331% (0.49   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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.22, residual support = 45.3:
    * O T QB    GLN   32 - QG    GLN   32   2.11 +/- 0.02  92.810% * 99.6746% (1.00  10.0 10.00   3.22  45.32) =  99.995%  kept
          HG3   GLU- 100 - QG    GLN   32  12.29 +/- 4.02   5.213% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   24 - QG    GLN   32  13.19 +/- 1.03   0.404% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  18.24 +/- 4.02   0.341% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  14.58 +/- 5.17   1.117% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  25.56 +/- 3.42   0.072% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  29.25 +/- 3.83   0.043% *  0.0197% (0.20   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 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 0.987, support = 6.48, residual support = 154.0:
    * O T QB    LYS+  33 - HA    LYS+  33   2.18 +/- 0.04  70.704% * 77.5217% (1.00  10.0 10.00   6.51 156.43) =  98.298%  kept
        T QB    LYS+  33 - HA    GLN   32   5.40 +/- 0.16   4.656% * 19.9364% (0.26   1.0 10.00   4.90  15.57) =   1.665%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.52 +/- 1.62   7.700% *  0.2164% (0.28   1.0 10.00   0.02   0.02) =   0.030%
          HB3   LYS+  38 - HA    LYS+  33   9.58 +/- 1.50   4.105% *  0.0319% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HA    LYS+  33  23.64 +/- 4.95   0.076% *  0.7481% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    LYS+  33  17.69 +/- 3.78   0.594% *  0.0716% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  20.86 +/- 6.83   0.157% *  0.2089% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   7.79 +/- 0.39   1.586% *  0.0193% (0.25   1.0  1.00   0.02   0.30) =   0.001%
        T QB    LYS+  81 - HA    GLN   32  22.05 +/- 5.72   0.113% *  0.1924% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   6.03 +/- 0.40   3.527% *  0.0054% (0.07   1.0  1.00   0.02  26.45) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.44 +/- 1.54   1.324% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.92 +/- 2.52   0.127% *  0.0733% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  19.95 +/- 2.40   0.118% *  0.0760% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.63 +/- 0.25   1.670% *  0.0050% (0.06   1.0  1.00   0.02   1.75) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  19.08 +/- 4.56   0.388% *  0.0200% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  20.18 +/- 1.58   0.097% *  0.0733% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  14.17 +/- 2.19   0.759% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  18.32 +/- 4.34   0.294% *  0.0184% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.51 +/- 3.17   0.026% *  0.1933% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  17.36 +/- 3.48   0.190% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  26.75 +/- 6.77   0.177% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  20.87 +/- 3.47   0.131% *  0.0212% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.67 +/- 3.62   0.125% *  0.0205% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  29.45 +/- 3.39   0.032% *  0.0768% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.09 +/- 2.48   0.127% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.44 +/- 3.65   0.031% *  0.0748% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.94 +/- 2.15   0.120% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  20.20 +/- 2.27   0.101% *  0.0205% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.11 +/- 2.44   0.041% *  0.0439% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.80 +/- 3.56   0.033% *  0.0540% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.63 +/- 3.33   0.029% *  0.0497% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  26.98 +/- 7.93   0.244% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  26.93 +/- 5.20   0.054% *  0.0215% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  27.58 +/- 4.65   0.045% *  0.0198% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  28.99 +/- 4.36   0.042% *  0.0209% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  26.58 +/- 6.90   0.134% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.01 +/- 3.77   0.033% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.30 +/- 3.21   0.050% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.79 +/- 3.52   0.045% *  0.0120% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.64 +/- 2.63   0.043% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.92 +/- 4.20   0.079% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.25 +/- 4.42   0.073% *  0.0031% (0.04   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 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.954, support = 6.17, residual support = 147.7:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.52 +/- 0.19  47.282% * 76.3092% (1.00  10.0 10.00   6.30 156.43) =  93.848%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.67 +/- 0.54  11.824% * 19.6245% (0.26   1.0 10.00   4.25  15.57) =   6.036%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.10 +/- 1.02  12.380% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.069%
        T HG3   LYS+ 102 - HA    LYS+  33  17.56 +/- 4.07   0.583% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.011%
        T HG3   LYS+  65 - HA    LYS+  33  20.69 +/- 2.76   0.345% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 102 - HA    GLN   32  16.20 +/- 4.61   1.006% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HA    LYS+  33  20.80 +/- 1.83   0.249% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    GLU-  29  19.53 +/- 4.79   0.440% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+  33  15.76 +/- 3.99   0.921% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    GLU-  29  20.53 +/- 2.81   0.301% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LYS+  33  14.64 +/- 1.45   0.793% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LYS+  33  14.58 +/- 2.95   0.981% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    GLN   32  21.09 +/- 2.65   0.298% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    GLN   32  19.50 +/- 2.62   0.343% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  12.97 +/- 2.16   1.170% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLU-  29  20.97 +/- 2.91   0.264% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  14.27 +/- 4.02   1.758% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  14.40 +/- 4.67   1.407% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLN   32  15.44 +/- 4.54   1.829% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLN   32  14.34 +/- 2.04   1.200% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  11.95 +/- 2.99   2.009% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLN   32  15.68 +/- 3.93   0.894% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.46 +/- 1.91   0.762% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  13.97 +/- 2.85   1.061% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.67 +/- 2.40   0.848% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  18.04 +/- 2.08   0.419% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  24.42 +/- 6.73   0.363% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  29.96 +/- 2.40   0.083% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  13.51 +/- 3.39   1.696% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  21.32 +/- 3.48   0.270% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  21.45 +/- 6.31   0.361% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  16.55 +/- 2.69   0.585% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  25.52 +/- 7.50   0.609% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  18.80 +/- 7.94   0.868% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  15.90 +/- 3.30   0.846% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.82 +/- 2.00   0.131% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  19.14 +/- 5.00   0.477% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.92 +/- 1.79   0.408% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  24.25 +/- 6.97   0.417% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  28.82 +/- 3.10   0.099% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  19.90 +/- 6.78   0.600% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  19.78 +/- 4.36   0.410% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  29.17 +/- 2.36   0.090% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.35 +/- 2.21   0.162% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.72 +/- 2.40   0.158% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.16 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.961, support = 4.93, residual support = 148.8:
    *   T QD    LYS+  33 - HA    LYS+  33   3.52 +/- 0.73  63.530% * 76.4492% (1.00 10.00   5.05 156.43) =  94.722%  kept
        T QD    LYS+  33 - HA    GLN   32   6.44 +/- 0.97  11.124% * 19.6606% (0.26 10.00   3.35  15.57) =   4.266%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.26 +/- 1.30  20.447% *  2.5278% (0.28 10.00   0.24   0.02) =   1.008%  kept
        T HD3   LYS+ 111 - HA    LYS+  33  32.84 +/- 2.95   0.099% *  0.6856% (0.90 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  22.52 +/- 2.67   0.370% *  0.0663% (0.87  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  31.61 +/- 3.64   0.124% *  0.1914% (0.25 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  31.77 +/- 2.77   0.115% *  0.1763% (0.23 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  27.68 +/- 7.80   0.259% *  0.0764% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  33  19.84 +/- 2.17   0.441% *  0.0433% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  28.09 +/- 8.87   0.664% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.70 +/- 3.34   0.512% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  18.25 +/- 2.55   0.610% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  22.25 +/- 2.77   0.386% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.62 +/- 7.89   0.279% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.55 +/- 2.05   0.492% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.33 +/- 4.18   0.158% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.89 +/- 4.86   0.222% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  30.92 +/- 4.28   0.169% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.11 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.771, support = 5.27, residual support = 114.1:
    *   T QE    LYS+  33 - HA    LYS+  33   3.78 +/- 0.99  26.597% * 50.1199% (1.00 10.00   5.72 156.43) =  69.055%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.11 +/- 0.29  21.798% * 13.7158% (0.27 10.00   5.76  32.93) =  15.488%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.48 +/- 0.31   8.698% * 17.0963% (0.34 10.00   2.94   4.82) =   7.703%  kept
        T HB2   ASN   35 - HA    GLN   32   4.23 +/- 0.91  20.226% *  4.3967% (0.09 10.00   2.06   3.57) =   4.607%  kept
        T QE    LYS+  33 - HA    GLN   32   6.65 +/- 1.53   4.542% * 12.8894% (0.26 10.00   3.62  15.57) =   3.033%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.89 +/- 1.39   5.316% *  0.1399% (0.28 10.00   0.02   0.02) =   0.039%
        T HB2   ASN   28 - HA    LYS+  33  10.38 +/- 1.08   1.463% *  0.4913% (0.98 10.00   0.02   0.02) =   0.037%
        T HB2   ASN   28 - HA    GLN   32   7.99 +/- 1.06   3.166% *  0.1263% (0.25 10.00   0.02   0.02) =   0.021%
        T QE    LYS+  65 - HA    LYS+  33  19.88 +/- 2.78   0.272% *  0.4495% (0.90 10.00   0.02   0.02) =   0.006%
        T HB2   ASN   35 - HA    GLU-  29   9.26 +/- 0.80   1.731% *  0.0477% (0.10 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLU-  29  19.56 +/- 2.94   0.222% *  0.1255% (0.25 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HA    GLN   32  20.32 +/- 2.62   0.225% *  0.1156% (0.23 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    LYS+  33  21.92 +/- 3.64   0.184% *  0.1116% (0.22 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  19.56 +/- 5.31   0.390% *  0.0312% (0.06 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    LYS+  33  15.41 +/- 3.78   1.496% *  0.0077% (0.15  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLN   32  20.95 +/- 4.06   0.256% *  0.0287% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  22.36 +/- 5.71   0.202% *  0.0344% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  20.36 +/- 7.18   0.378% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  20.25 +/- 6.77   0.401% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.87 +/- 2.81   0.094% *  0.0324% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.45 +/- 4.49   1.316% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  17.97 +/- 4.35   0.738% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  23.11 +/- 4.44   0.165% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.57 +/- 3.47   0.123% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.987, support = 6.48, residual support = 153.7:
    * O T HA    LYS+  33 - QB    LYS+  33   2.18 +/- 0.04  78.140% * 77.2878% (1.00  10.0 10.00   6.51 156.43) =  98.097%  kept
        T HA    GLN   32 - QB    LYS+  33   5.40 +/- 0.16   5.147% * 21.4889% (0.28   1.0 10.00   4.90  15.57) =   1.796%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.52 +/- 1.62   8.480% *  0.7459% (0.97   1.0 10.00   0.02   0.02) =   0.103%  kept
          HB2   SER   37 - QB    LYS+  33   6.20 +/- 1.68   6.329% *  0.0172% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QB    LYS+  33  11.47 +/- 2.15   0.756% *  0.0670% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QB    LYS+  33  12.35 +/- 3.35   0.660% *  0.0731% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  20.24 +/- 6.91   0.191% *  0.0693% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.14 +/- 3.92   0.113% *  0.0670% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.69 +/- 2.93   0.049% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  24.75 +/- 3.31   0.063% *  0.0407% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  23.50 +/- 3.36   0.073% *  0.0239% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.31, residual support = 156.4:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.47 +/- 0.08  91.155% * 96.3761% (1.00  10.0 10.00   6.32 156.43) =  99.973%  kept
        T HG3   LYS+ 102 - QB    LYS+  33  16.03 +/- 4.07   0.954% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T QB    LEU   98 - QB    LYS+  33  11.42 +/- 2.02   1.273% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  65 - QB    LYS+  33  17.45 +/- 2.56   0.327% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - QB    LYS+  33  18.17 +/- 1.92   0.273% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  12.79 +/- 3.86   1.314% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QB    LYS+  33  12.42 +/- 1.36   0.824% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QB    LYS+  33  12.44 +/- 2.39   0.937% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    LYS+  33  21.25 +/- 6.26   0.661% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  14.86 +/- 2.30   0.549% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.96 +/- 2.22   0.827% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  25.79 +/- 2.51   0.089% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  18.25 +/- 5.96   0.400% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  18.33 +/- 3.22   0.277% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  22.09 +/- 1.89   0.140% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 156.4:
    * O T QD    LYS+  33 - QB    LYS+  33   2.26 +/- 0.17  98.122% * 97.3258% (1.00  10.0 10.00   5.03 156.43) =  99.985%  kept
        T HB3   LEU  123 - QB    LYS+  33  24.11 +/- 7.03   1.190% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.012%
        T HD2   LYS+  74 - QB    LYS+  33  16.50 +/- 2.22   0.320% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - QB    LYS+  33  28.44 +/- 2.93   0.061% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  19.23 +/- 2.57   0.231% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.82 +/- 3.75   0.076% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.74, residual support = 156.1:
    *   T QE    LYS+  33 - QB    LYS+  33   2.76 +/- 0.45  80.030% * 96.5112% (1.00 10.00   5.75 156.43) =  99.803%  kept
          HB2   ASN   35 - QB    LYS+  33   6.72 +/- 0.32   6.499% *  2.1702% (0.34  1.00   1.32   4.82) =   0.182%  kept
        T QE    LYS+  65 - QB    LYS+  33  16.79 +/- 2.57   0.618% *  0.8655% (0.90 10.00   0.02   0.02) =   0.007%
          HB2   ASN   28 - QB    LYS+  33   8.68 +/- 1.27   3.875% *  0.0946% (0.98  1.00   0.02   0.02) =   0.005%
        T HB2   ASP-  76 - QB    LYS+  33  18.47 +/- 3.62   0.543% *  0.2149% (0.22 10.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - QB    LYS+  33  13.40 +/- 3.20   7.723% *  0.0149% (0.15  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  33  19.39 +/- 5.19   0.454% *  0.0663% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  22.03 +/- 2.77   0.257% *  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 = 0.951, support = 6.14, residual support = 146.6:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.52 +/- 0.19  38.090% * 74.2013% (1.00  10.0 10.00   6.30 156.43) =  93.071%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.67 +/- 0.54   9.741% * 20.6307% (0.28   1.0 10.00   4.25  15.57) =   6.618%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.10 +/- 1.02   9.897% *  0.7161% (0.97   1.0 10.00   0.02   0.02) =   0.233%  kept
          HA    VAL   18 - HG3   LYS+  65  13.36 +/- 5.70   5.221% *  0.0606% (0.82   1.0  1.00   0.02   0.02) =   0.010%
          HB2   SER   37 - HG3   LYS+  33   6.97 +/- 2.64  14.502% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  33 - HG3   LYS+  65  20.69 +/- 2.76   0.273% *  0.6408% (0.86   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+  33 - HG3   LYS+ 102  17.56 +/- 4.07   0.473% *  0.3686% (0.50   1.0 10.00   0.02   0.02) =   0.006%
          HA    SER   48 - HG3   LYS+  65  16.55 +/- 6.08   4.828% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLU-  29 - HG3   LYS+  65  20.53 +/- 2.81   0.242% *  0.6184% (0.83   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU-  29 - HG3   LYS+ 102  19.53 +/- 4.79   0.340% *  0.3557% (0.48   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   18 - HG3   LYS+  33  12.35 +/- 3.81   1.711% *  0.0702% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   70 - HG3   LYS+  65  10.67 +/- 1.79   2.129% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   70 - HG3   LYS+  33  11.51 +/- 2.36   1.800% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 106  20.97 +/- 2.91   0.214% *  0.4550% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 106  20.80 +/- 1.83   0.201% *  0.4715% (0.64   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+ 102  16.20 +/- 4.61   0.771% *  0.1025% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   PRO   52 - HG3   LYS+ 106  19.77 +/- 3.90   0.808% *  0.0728% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+  65  21.09 +/- 2.65   0.238% *  0.1782% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 106  19.50 +/- 2.62   0.274% *  0.1311% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+  65  14.47 +/- 1.81   0.621% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  14.36 +/- 2.31   0.704% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  21.87 +/- 7.56   0.355% *  0.0665% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  15.19 +/- 1.62   0.537% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+ 106  19.26 +/- 4.22   0.317% *  0.0446% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  18.85 +/- 3.74   0.326% *  0.0423% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.73 +/- 3.39   0.495% *  0.0248% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  24.29 +/- 4.17   0.186% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  17.62 +/- 1.83   0.343% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  23.80 +/- 3.94   0.168% *  0.0575% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  21.83 +/- 5.60   0.269% *  0.0331% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  15.29 +/- 2.62   0.600% *  0.0146% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  17.64 +/- 4.19   0.728% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  22.67 +/- 4.81   0.194% *  0.0349% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  17.86 +/- 2.63   0.423% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  24.02 +/- 5.04   0.300% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  23.37 +/- 3.42   0.160% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.34 +/- 3.96   0.115% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.59 +/- 2.61   0.483% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  25.20 +/- 3.87   0.132% *  0.0229% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.27 +/- 1.51   0.262% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  21.07 +/- 3.23   0.217% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  28.20 +/- 3.13   0.093% *  0.0194% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.38 +/- 3.17   0.089% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.23 +/- 4.33   0.130% *  0.0057% (0.08   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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.843, support = 6.15, residual support = 146.9:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.47 +/- 0.08  36.354% * 52.4872% (1.00  10.0 10.00   6.32 156.43) =  60.704%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.43 +/- 0.10  37.980% * 31.5506% (0.60  10.0 10.00   5.93 135.46) =  38.122%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.76 +/- 0.59   3.146% *  7.2311% (0.62   1.0  1.00   4.42  21.95) =   0.724%  kept
          HB    ILE  103 - HG3   LYS+ 102   6.37 +/- 0.74   2.471% *  5.3661% (0.47   1.0  1.00   4.35  23.56) =   0.422%  kept
          HB    ILE  103 - HG3   LYS+ 106   5.37 +/- 1.17   4.444% *  0.0316% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.33 +/- 1.12   0.416% *  0.2466% (0.47   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  33 - HG3   LYS+ 102  16.03 +/- 4.07   0.369% *  0.2607% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 106 - HG3   LYS+  65  17.35 +/- 2.81   0.186% *  0.4288% (0.82   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HG3   LYS+  33  15.91 +/- 3.84   1.599% *  0.0485% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG3   LYS+  33   4.92 +/- 0.48   5.052% *  0.0131% (0.25   1.0  1.00   0.02   0.30) =   0.002%
        T QB    LYS+  33 - HG3   LYS+  65  17.45 +/- 2.56   0.132% *  0.4533% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  33  18.50 +/- 1.78   0.096% *  0.4965% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HG3   LYS+  65   9.52 +/- 1.99   1.045% *  0.0418% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  18.17 +/- 1.92   0.108% *  0.3335% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   LYS+  65  14.89 +/- 3.36   0.387% *  0.0437% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+  33  10.30 +/- 1.50   0.752% *  0.0216% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG3   LYS+ 102  11.98 +/- 1.29   0.374% *  0.0256% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  13.37 +/- 2.06   0.288% *  0.0257% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  18.19 +/- 2.62   0.130% *  0.0514% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  16.88 +/- 2.61   0.146% *  0.0444% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  23.71 +/- 5.34   0.144% *  0.0449% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  17.72 +/- 2.95   0.126% *  0.0497% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.46 +/- 6.94   0.329% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  18.50 +/- 3.52   0.127% *  0.0308% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.44 +/- 2.59   0.121% *  0.0322% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.98 +/- 5.08   0.077% *  0.0507% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  17.74 +/- 2.08   0.114% *  0.0331% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  21.16 +/- 3.87   0.085% *  0.0437% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  19.95 +/- 5.41   0.510% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.33 +/- 3.13   0.105% *  0.0322% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.97 +/- 2.15   0.178% *  0.0189% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  21.42 +/- 2.62   0.068% *  0.0429% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  15.59 +/- 3.63   0.259% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.25 +/- 2.94   0.181% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  16.33 +/- 3.09   0.176% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  21.63 +/- 3.51   0.079% *  0.0241% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  19.13 +/- 2.98   0.100% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.25 +/- 4.04   0.225% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  27.61 +/- 4.02   0.035% *  0.0507% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.14 +/- 4.59   0.266% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  27.32 +/- 3.57   0.032% *  0.0520% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.41 +/- 3.57   0.148% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  22.79 +/- 3.58   0.058% *  0.0252% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  16.50 +/- 2.70   0.158% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  24.43 +/- 2.53   0.043% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  19.43 +/- 2.06   0.084% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.44 +/- 1.64   0.223% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.05 +/- 2.90   0.120% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  25.05 +/- 2.90   0.039% *  0.0258% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  30.30 +/- 3.97   0.031% *  0.0252% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.28 +/- 2.97   0.042% *  0.0148% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.83 +/- 4.76   0.062% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.34 +/- 3.53   0.050% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.62 +/- 5.26   0.056% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.73 +/- 3.02   0.026% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  23.94 +/- 2.38   0.050% *  0.0040% (0.08   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 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 = 4.64, residual support = 156.4:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.34 +/- 0.16  79.960% * 94.8130% (1.00  10.0 10.00   4.64 156.43) =  99.973%  kept
          HD2   LYS+  74 - HG3   LYS+  65  10.79 +/- 3.76   8.611% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HG3   LYS+ 102  16.48 +/- 4.49   0.769% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   57 - HG3   LYS+ 106  15.67 +/- 3.03   4.610% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HG3   LYS+  65  16.85 +/- 3.37   0.293% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HG3   LYS+  65  21.58 +/- 4.33   0.283% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HG3   LYS+ 106  16.23 +/- 2.23   0.287% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 106  18.15 +/- 2.30   0.214% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG3   LYS+  65  10.38 +/- 2.11   1.551% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  33  25.50 +/- 7.91   0.575% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  30.27 +/- 3.21   0.040% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  26.62 +/- 3.22   0.065% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  17.87 +/- 3.31   0.249% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  15.72 +/- 3.69   1.038% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  17.23 +/- 2.74   0.250% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.24 +/- 2.76   0.153% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  19.58 +/- 3.11   0.179% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.20 +/- 2.14   0.238% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.79 +/- 3.08   0.162% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  25.61 +/- 5.89   0.111% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  23.44 +/- 2.21   0.088% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.11 +/- 2.98   0.159% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  28.50 +/- 4.53   0.061% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.07 +/- 4.01   0.055% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.904, support = 4.9, residual support = 157.3:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.70 +/- 0.56  43.942% * 54.1299% (1.00  10.0 10.00   5.32 156.43) =  57.679%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.73 +/- 0.44  41.543% * 41.9214% (0.77  10.0 10.00   4.35 158.79) =  42.231%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.27 +/- 0.56   2.846% *  1.0352% (0.34   1.0  1.00   1.12   4.82) =   0.071%
        T QE    LYS+  33 - HG3   LYS+  65  16.96 +/- 3.43   0.272% *  0.4674% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HG3   LYS+  33  17.79 +/- 3.14   0.203% *  0.4855% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+ 102  16.73 +/- 4.40   0.344% *  0.2689% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+ 106  18.48 +/- 2.96   0.246% *  0.3085% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.20 +/- 0.97   1.324% *  0.0531% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   ASP-  76 - HG3   LYS+  65  15.76 +/- 4.43   0.611% *  0.1041% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+ 106  18.51 +/- 2.42   0.170% *  0.3440% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HG3   LYS+  33  14.00 +/- 3.54   3.361% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.84 +/- 2.40   0.089% *  0.2411% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  33  19.57 +/- 4.20   0.172% *  0.1205% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG3   LYS+  65  18.60 +/- 5.45   0.506% *  0.0302% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  17.99 +/- 2.65   0.199% *  0.0766% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.06 +/- 3.98   0.619% *  0.0236% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.21 +/- 3.61   0.238% *  0.0458% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  23.92 +/- 3.04   0.117% *  0.0599% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  20.69 +/- 5.72   0.178% *  0.0372% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  15.23 +/- 4.27   0.691% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  18.17 +/- 5.22   0.330% *  0.0185% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  21.79 +/- 4.23   0.167% *  0.0321% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  12.20 +/- 2.09   0.644% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.14 +/- 4.72   0.164% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.34 +/- 3.25   0.124% *  0.0337% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.58 +/- 3.25   0.084% *  0.0350% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  19.83 +/- 2.21   0.129% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  21.45 +/- 3.03   0.135% *  0.0159% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.65 +/- 2.57   0.139% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.46 +/- 3.18   0.083% *  0.0174% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  18.53 +/- 2.76   0.183% *  0.0053% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  20.12 +/- 2.89   0.149% *  0.0041% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.965, support = 4.81, residual support = 144.7:
    *   T HA    LYS+  33 - QD    LYS+  33   3.52 +/- 0.73  40.202% * 70.3476% (1.00 10.00   5.05 156.43) =  92.053%  kept
        T HA    GLN   32 - QD    LYS+  33   6.44 +/- 0.97   7.225% * 19.5593% (0.28 10.00   3.35  15.57) =   4.599%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.26 +/- 1.30  12.644% *  8.0403% (0.97 10.00   0.24   0.02) =   3.309%  kept
          HB2   SER   37 - QD    LYS+  33   6.42 +/- 2.98  22.359% *  0.0157% (0.22  1.00   0.02   0.02) =   0.011%
          HA    VAL   18 - QD    LYS+  33  11.21 +/- 3.93   3.490% *  0.0665% (0.95  1.00   0.02   0.02) =   0.008%
          HA    VAL   70 - QD    LYS+  33  10.98 +/- 2.30   2.558% *  0.0610% (0.87  1.00   0.02   0.02) =   0.005%
          HA    SER   48 - HD3   LYS+ 111  17.64 +/- 5.13   4.398% *  0.0332% (0.47  1.00   0.02   0.02) =   0.005%
          HA    GLN  116 - HD3   LYS+ 111  12.15 +/- 0.99   1.272% *  0.0547% (0.78  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HD3   LYS+ 111  31.61 +/- 3.64   0.080% *  0.6084% (0.86 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HD3   LYS+ 111  32.84 +/- 2.95   0.062% *  0.6304% (0.90 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  20.69 +/- 6.66   0.406% *  0.0631% (0.90  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HD3   LYS+ 111  20.70 +/- 3.72   1.313% *  0.0195% (0.28  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HD3   LYS+ 111  14.40 +/- 4.81   2.523% *  0.0097% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QD    LYS+  33  22.48 +/- 3.78   0.229% *  0.0610% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  26.17 +/- 4.22   0.229% *  0.0565% (0.80  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.77 +/- 2.77   0.072% *  0.1753% (0.25 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  25.80 +/- 4.35   0.169% *  0.0596% (0.85  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.01 +/- 3.13   0.161% *  0.0547% (0.78  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  24.41 +/- 4.18   0.211% *  0.0370% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  23.83 +/- 3.30   0.172% *  0.0217% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.18 +/- 3.12   0.155% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.16 +/- 2.69   0.068% *  0.0140% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 5.02, residual support = 156.1:
    * O T QB    LYS+  33 - QD    LYS+  33   2.26 +/- 0.17  80.207% * 92.8921% (1.00  10.0 10.00   5.03 156.43) =  99.816%  kept
          HB3   GLN   30 - QD    LYS+  33   5.57 +/- 0.86   7.809% *  1.3962% (0.25   1.0  1.00   1.21   0.30) =   0.146%  kept
        T HG3   PRO   68 - QD    LYS+  33  14.73 +/- 3.46   1.957% *  0.8575% (0.92   1.0 10.00   0.02   0.02) =   0.022%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.59 +/- 3.61   0.469% *  0.8033% (0.86   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU  123 - QD    LYS+  33  22.40 +/- 6.32   0.663% *  0.2316% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HD3   LYS+ 111  24.74 +/- 4.74   0.120% *  0.7684% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - QD    LYS+  33  25.30 +/- 4.06   0.080% *  0.8965% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33   9.82 +/- 1.82   1.679% *  0.0382% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   LYS+ 111  13.06 +/- 1.92   0.563% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  28.44 +/- 2.93   0.050% *  0.8324% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HD3   LYS+ 111  18.45 +/- 1.81   0.175% *  0.2076% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  12.77 +/- 2.87   0.721% *  0.0471% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  13.35 +/- 4.04   2.143% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  12.79 +/- 4.96   1.260% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  16.78 +/- 2.76   0.306% *  0.0816% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  17.33 +/- 2.73   0.263% *  0.0911% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.07 +/- 2.96   0.250% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  22.41 +/- 4.75   0.227% *  0.0803% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.63 +/- 1.82   0.195% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  19.74 +/- 3.60   0.179% *  0.0825% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  20.56 +/- 4.49   0.152% *  0.0896% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  20.99 +/- 2.62   0.130% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  25.65 +/- 3.08   0.062% *  0.0921% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.57 +/- 2.51   0.104% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.50 +/- 2.87   0.058% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.47 +/- 3.19   0.037% *  0.0342% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  26.86 +/- 3.56   0.059% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.73 +/- 3.02   0.079% *  0.0143% (0.15   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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 155.6:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.34 +/- 0.16  84.332% * 79.1517% (1.00  10.0 10.00   4.64 156.43) =  99.343%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   8.00 +/- 1.27   2.798% * 15.1108% (0.80   1.0  1.00   4.75  28.47) =   0.629%  kept
        T HG3   LYS+ 102 - QD    LYS+  33  16.48 +/- 4.49   0.807% *  0.7487% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  65 - QD    LYS+  33  16.85 +/- 3.37   0.312% *  0.7845% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HD3   LYS+ 111  21.58 +/- 4.33   0.296% *  0.7030% (0.89   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - HD3   LYS+ 111  16.23 +/- 2.23   0.302% *  0.5680% (0.72   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QD    LYS+  33  18.15 +/- 2.30   0.226% *  0.6338% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QD    LYS+  33  12.51 +/- 4.31   1.457% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - QD    LYS+  33  11.92 +/- 2.53   1.060% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  33  12.20 +/- 1.80   0.744% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  11.80 +/- 4.21   2.783% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HD3   LYS+ 111  26.62 +/- 3.22   0.068% *  0.6710% (0.85   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    LYS+  33  11.63 +/- 2.33   0.937% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  18.61 +/- 3.15   0.218% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  30.27 +/- 3.21   0.042% *  0.7093% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  22.09 +/- 5.05   0.189% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  14.52 +/- 2.95   0.506% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  20.89 +/- 5.91   0.552% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  20.21 +/- 2.57   0.144% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.29 +/- 2.81   0.641% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.76 +/- 1.99   0.150% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  25.17 +/- 2.48   0.076% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.80 +/- 2.85   0.280% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  18.53 +/- 3.20   0.211% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  18.45 +/- 5.91   0.300% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  28.86 +/- 5.18   0.057% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.18 +/- 4.36   0.141% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.80 +/- 2.25   0.120% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.54 +/- 4.37   0.142% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.53 +/- 2.85   0.108% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 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 = 4.33, residual support = 156.4:
    * O T QE    LYS+  33 - QD    LYS+  33   2.09 +/- 0.02  92.364% * 96.5704% (1.00  10.0 10.00   4.33 156.43) =  99.982%  kept
        T QE    LYS+  65 - HD3   LYS+ 111  19.94 +/- 4.96   1.260% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+  65 - QD    LYS+  33  16.23 +/- 3.33   0.284% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB2   ASN   28 - QD    LYS+  33   9.25 +/- 1.19   1.347% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   7.62 +/- 0.83   2.248% *  0.0329% (0.34   1.0  1.00   0.02   4.82) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  33  18.42 +/- 3.91   0.194% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.32 +/- 5.22   0.191% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.42 +/- 2.82   0.040% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  21.81 +/- 6.56   0.490% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  12.93 +/- 2.97   1.082% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  19.80 +/- 4.98   0.166% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.30 +/- 3.19   0.107% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  22.01 +/- 2.91   0.092% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.16 +/- 4.06   0.038% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  26.43 +/- 4.18   0.069% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.51 +/- 2.97   0.027% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.964, support = 5.6, residual support = 149.0:
    *   T HA    LYS+  33 - QE    LYS+  33   3.78 +/- 0.99  28.251% * 75.8696% (1.00 10.00   5.72 156.43) =  94.785%  kept
        T HA    GLN   32 - QE    LYS+  33   6.65 +/- 1.53   5.178% * 21.0946% (0.28 10.00   3.62  15.57) =   4.830%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.89 +/- 1.39   6.443% *  0.7322% (0.97 10.00   0.02   0.02) =   0.209%  kept
          HA    VAL   18 - QE    LYS+  65  12.84 +/- 5.03   4.095% *  0.6075% (0.49  1.00   0.33   0.02) =   0.110%  kept
          HB2   SER   37 - QE    LYS+  33   6.13 +/- 3.15  22.274% *  0.0169% (0.22  1.00   0.02   0.02) =   0.017%
          HA    SER   48 - QE    LYS+  65  15.20 +/- 6.07   9.078% *  0.0205% (0.27  1.00   0.02   0.02) =   0.008%
          HA    VAL   18 - QE    LYS+  33  11.32 +/- 3.93   2.412% *  0.0718% (0.95  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  33 - QE    LYS+  65  19.88 +/- 2.78   0.400% *  0.3900% (0.51 10.00   0.02   0.02) =   0.007%
          HA    VAL   70 - QE    LYS+  33  10.97 +/- 2.40   2.056% *  0.0658% (0.87  1.00   0.02   0.02) =   0.006%
        T HA    GLU-  29 - QE    LYS+  65  19.56 +/- 2.94   0.299% *  0.3764% (0.50 10.00   0.02   0.02) =   0.005%
          HA    VAL   70 - QE    LYS+  65  11.48 +/- 1.70   2.316% *  0.0338% (0.45  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB2   ASP-  76  19.56 +/- 5.31   0.380% *  0.1092% (0.14 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - QE    LYS+  65  20.32 +/- 2.62   0.327% *  0.1084% (0.14 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QE    LYS+  65  13.86 +/- 2.03   0.856% *  0.0338% (0.45  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QE    LYS+  65  16.15 +/- 4.38   4.066% *  0.0060% (0.08  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  21.31 +/- 6.70   0.346% *  0.0680% (0.90  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASP-  76  21.92 +/- 3.64   0.189% *  0.1132% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  11.16 +/- 1.63   1.746% *  0.0101% (0.13  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  22.71 +/- 3.86   0.217% *  0.0658% (0.87  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76  11.89 +/- 3.53   1.775% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  17.56 +/- 8.65   0.815% *  0.0107% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.95 +/- 4.06   0.255% *  0.0315% (0.04 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  22.33 +/- 4.31   0.219% *  0.0350% (0.46  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  24.85 +/- 3.80   0.143% *  0.0399% (0.53  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  16.03 +/- 4.82   3.245% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  16.65 +/- 1.68   0.425% *  0.0098% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  17.54 +/- 2.45   0.417% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  13.83 +/- 1.35   0.869% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  24.37 +/- 3.34   0.130% *  0.0234% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.62 +/- 5.02   0.244% *  0.0120% (0.16  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  20.64 +/- 3.26   0.220% *  0.0098% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.54 +/- 3.03   0.123% *  0.0117% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  21.02 +/- 2.38   0.191% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.11 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 156.4:
    *   T QB    LYS+  33 - QE    LYS+  33   2.76 +/- 0.45  62.383% * 97.7370% (1.00 10.00   5.75 156.43) =  99.950%  kept
          HB3   GLN   30 - QE    LYS+  33   6.30 +/- 0.69   6.689% *  0.2417% (0.25  1.00   0.20   0.30) =   0.027%
          HG3   PRO   68 - QE    LYS+  33  14.52 +/- 3.55   3.903% *  0.0902% (0.92  1.00   0.02   0.02) =   0.006%
        T QB    LYS+  33 - QE    LYS+  65  16.79 +/- 2.57   0.482% *  0.5024% (0.51 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  38 - QE    LYS+  33   9.63 +/- 1.70   2.949% *  0.0402% (0.41  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - QE    LYS+  65  10.34 +/- 2.19   2.084% *  0.0464% (0.47  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QE    LYS+  65  13.46 +/- 3.56   1.640% *  0.0485% (0.50  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HB2   ASP-  76  18.47 +/- 3.62   0.421% *  0.1458% (0.15 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QE    LYS+  65  21.97 +/- 5.57   1.028% *  0.0498% (0.51  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QE    LYS+  33  17.41 +/- 2.92   0.411% *  0.0925% (0.95  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.67 +/- 1.00   2.648% *  0.0141% (0.14  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QE    LYS+  33  17.61 +/- 2.41   0.352% *  0.0958% (0.98  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  33  17.94 +/- 1.78   0.328% *  0.0925% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  12.73 +/- 1.86   0.890% *  0.0284% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  21.09 +/- 4.58   0.250% *  0.0943% (0.97  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.42 +/- 6.45   0.869% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  16.95 +/- 2.75   0.402% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  16.76 +/- 2.87   0.378% *  0.0492% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  19.58 +/- 4.32   0.373% *  0.0485% (0.50  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  18.69 +/- 5.48   1.831% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.30 +/- 1.85   0.884% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  17.58 +/- 4.21   0.775% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  26.18 +/- 3.16   0.111% *  0.0969% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.59 +/- 3.84   0.113% *  0.0943% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  20.90 +/- 2.58   0.190% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  22.85 +/- 2.65   0.162% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  15.99 +/- 3.19   0.566% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  17.04 +/- 3.66   0.555% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  15.29 +/- 2.70   0.529% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  18.81 +/- 2.76   0.275% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.97 +/- 4.67   1.534% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.37 +/- 1.70   0.396% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  18.16 +/- 3.58   0.595% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  18.59 +/- 3.57   0.338% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  15.78 +/- 5.33   1.028% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  19.89 +/- 2.60   0.257% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  20.14 +/- 1.94   0.209% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.83 +/- 2.96   0.106% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.16 +/- 3.09   0.148% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.51 +/- 1.71   0.668% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  23.32 +/- 2.49   0.140% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.07 +/- 3.34   0.111% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 0.841, support = 5.0, residual support = 157.1:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.70 +/- 0.56  33.169% * 63.8684% (1.00  10.0 10.00   5.32 156.43) =  67.627%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.73 +/- 0.44  31.132% * 32.5421% (0.51  10.0 10.00   4.35 158.79) =  32.342%  kept
        T HG3   LYS+ 102 - QE    LYS+  33  16.73 +/- 4.40   0.256% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - QE    LYS+  33  16.96 +/- 3.43   0.204% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QE    LYS+  65  14.99 +/- 5.25   3.121% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QE    LYS+  65  14.27 +/- 5.09   7.867% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QE    LYS+  33  18.51 +/- 2.42   0.125% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QE    LYS+  33  13.01 +/- 4.08   0.838% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - QE    LYS+  65  17.79 +/- 3.14   0.152% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QE    LYS+  65  11.90 +/- 2.87   1.555% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QE    LYS+  65  15.31 +/- 3.50   1.609% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QE    LYS+  65  18.48 +/- 2.96   0.165% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HB2   ASP-  76  15.76 +/- 4.43   0.405% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    LYS+  33  11.86 +/- 2.22   0.521% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  12.49 +/- 1.92   0.392% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QE    LYS+  65  23.84 +/- 2.40   0.064% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QE    LYS+  33  11.89 +/- 2.56   0.532% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  65  12.34 +/- 1.31   0.389% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.57 +/- 4.20   0.127% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  17.99 +/- 2.65   0.148% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  10.92 +/- 3.61   0.990% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.24 +/- 1.49   5.843% *  0.0015% (0.02   1.0  1.00   0.02   1.48) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  23.92 +/- 3.04   0.088% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.08 +/- 1.96   0.847% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.60 +/- 1.79   2.624% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  14.87 +/- 3.03   0.356% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  15.70 +/- 2.12   0.251% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.62 +/- 0.76   1.882% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.52 +/- 2.97   0.375% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.10 +/- 3.15   0.449% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.09 +/- 1.83   0.369% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  25.54 +/- 2.51   0.054% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  14.85 +/- 2.45   0.586% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  20.85 +/- 5.76   0.170% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  16.88 +/- 4.01   0.269% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  19.02 +/- 3.26   0.118% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  19.08 +/- 5.89   0.169% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  20.72 +/- 4.57   0.196% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  17.98 +/- 4.56   0.258% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.70 +/- 2.32   0.547% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.17 +/- 2.31   0.069% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  19.66 +/- 3.68   0.115% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  17.90 +/- 2.31   0.158% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  16.91 +/- 2.95   0.382% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  23.82 +/- 2.81   0.063% *  0.0024% (0.04   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 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 156.4:
    * O T QD    LYS+  33 - QE    LYS+  33   2.09 +/- 0.02  77.065% * 97.4730% (1.00  10.0 10.00   4.33 156.43) =  99.986%  kept
        T HD3   LYS+ 111 - QE    LYS+  65  19.94 +/- 4.96   1.033% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  33 - QE    LYS+  65  16.23 +/- 3.33   0.238% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - QE    LYS+  65  10.64 +/- 3.99   3.413% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   ASP-  76   6.88 +/- 2.28   9.647% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65   9.65 +/- 2.26   1.344% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+  33  23.20 +/- 7.50   0.597% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - QE    LYS+  65  14.16 +/- 3.82   4.906% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  33  28.42 +/- 2.82   0.034% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  18.42 +/- 3.91   0.162% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.32 +/- 5.22   0.160% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.76 +/- 2.69   0.149% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  16.55 +/- 2.87   0.220% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  16.67 +/- 2.82   0.216% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  14.81 +/- 3.69   0.360% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.39 +/- 4.28   0.054% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  18.40 +/- 4.52   0.357% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  26.86 +/- 3.53   0.045% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 1.93, residual support = 25.0:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.01  73.150% * 97.6783% (0.80  10.0 10.00   1.93  25.14) =  99.447%  kept
          QG2   THR   39 - HA    ALA   34   4.44 +/- 1.67  22.940% *  1.7230% (0.25   1.0  1.00   1.14   4.76) =   0.550%  kept
          HG3   LYS+  38 - HA    ALA   34   7.72 +/- 0.93   1.763% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   34 - HA    ALA  124  20.33 +/- 6.30   0.266% *  0.2242% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ALA   34  14.16 +/- 1.63   0.288% *  0.1080% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  20.15 +/- 1.95   0.097% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  15.21 +/- 2.70   0.289% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  25.10 +/- 7.36   0.191% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.65 +/- 1.70   0.142% *  0.0242% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  20.23 +/- 6.56   0.483% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  26.06 +/- 9.05   0.193% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.63 +/- 1.91   0.080% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  23.17 +/- 2.33   0.066% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.00 +/- 2.29   0.051% *  0.0070% (0.06   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 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.1:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.01  82.947% * 98.8230% (0.80  10.0 10.00   1.93  25.14) =  99.983%  kept
          HA1   GLY  101 - QB    ALA   34   8.18 +/- 3.00   9.856% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.010%
          HA    ASN   28 - QB    ALA   34   6.88 +/- 0.38   2.561% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ALA  124 - QB    ALA   34  20.33 +/- 6.30   0.293% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   34   6.66 +/- 0.17   2.754% *  0.0170% (0.14   1.0  1.00   0.02   0.32) =   0.001%
          HA    THR   26 - QB    ALA   34   9.56 +/- 0.82   1.009% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.28 +/- 2.09   0.188% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  20.70 +/- 2.37   0.107% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  20.19 +/- 2.43   0.120% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  18.30 +/- 3.18   0.165% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.55 +/- 0.13  72.538% * 98.4270% (1.00  10.0 10.00   4.02  54.70) =  99.953%  kept
        T HB2   ASN   35 - HA    LEU   40   9.73 +/- 1.75   6.127% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.032%
        T HB2   ASN   28 - HA    ASN   35  12.87 +/- 1.48   0.947% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   ASN   35 - HA    GLU-  15  15.72 +/- 5.24   0.871% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HA    ASN   35   7.47 +/- 1.16   3.797% *  0.0336% (0.34   1.0  1.00   0.02   4.82) =   0.002%
        T HB2   ASN   28 - HA    GLU-  15  15.18 +/- 4.87   1.255% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LEU   40  15.02 +/- 2.12   0.498% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    GLU-  15  10.51 +/- 4.94   5.515% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  25.83 +/- 7.79   1.964% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40   9.83 +/- 1.83   1.881% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  19.50 +/- 3.18   0.387% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  21.66 +/- 4.99   0.202% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  15.63 +/- 5.21   1.449% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  18.36 +/- 3.42   0.277% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  15.50 +/- 1.57   0.377% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.48 +/- 2.86   0.461% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.52 +/- 2.94   0.149% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  18.11 +/- 2.20   0.233% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  13.41 +/- 1.50   0.574% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  19.20 +/- 3.35   0.293% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  22.38 +/- 4.04   0.206% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.55, residual support = 86.3:
    * O T QB    GLU-  36 - HA    GLU-  36   2.37 +/- 0.18  97.090% * 98.9106% (1.00  10.0 10.00   5.55  86.29) =  99.992%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.27 +/- 1.49   0.831% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          HG3   GLU- 100 - HA    GLU-  36  11.72 +/- 2.98   1.452% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.33 +/- 1.48   0.499% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.69 +/- 3.02   0.087% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  32.78 +/- 2.55   0.041% *  0.0679% (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 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HG2   GLU-  36 - HA    GLU-  36   3.12 +/- 0.84  98.873% * 99.8378% (1.00  10.0 10.00   3.62  86.29) =  99.999%  kept
          HG3   MET   96 - HA    GLU-  36  20.62 +/- 1.80   0.493% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  24.60 +/- 2.35   0.312% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  24.51 +/- 5.16   0.323% *  0.0175% (0.18   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 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   3.33 +/- 0.48  92.049% * 99.2256% (1.00  10.0 10.00   3.62  86.29) =  99.972%  kept
        T QB    MET   11 - HA    GLU-  36  18.00 +/- 5.02   6.704% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.027%
          HB2   GLU-  79 - HA    GLU-  36  25.41 +/- 3.19   0.258% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.88 +/- 1.55   0.503% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.61 +/- 2.49   0.198% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  31.32 +/- 3.13   0.171% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  33.78 +/- 3.41   0.116% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG2   GLU-  36   3.12 +/- 0.84  98.283% * 99.7630% (1.00  10.0 10.00   3.62  86.29) =  99.999%  kept
          HA    ALA  124 - HG2   GLU-  36  29.39 +/- 9.13   0.709% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  27.84 +/- 3.95   0.250% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  21.54 +/- 3.63   0.588% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.53 +/- 3.62   0.169% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.3:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.40 +/- 0.14  95.787% * 98.9106% (1.00  10.0 10.00   4.28  86.29) =  99.985%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.09 +/- 2.49   1.516% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.014%
          HG3   GLU-  29 - HG2   GLU-  36  13.22 +/- 2.60   0.884% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  12.70 +/- 3.40   1.666% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  24.97 +/- 3.57   0.101% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  32.27 +/- 2.92   0.045% *  0.0679% (0.69   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 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  99.562% * 99.2256% (1.00  10.0 10.00   3.00  86.29) =  99.999%  kept
        T QB    MET   11 - HG2   GLU-  36  17.91 +/- 4.72   0.229% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HG2   GLU-  36  18.77 +/- 2.12   0.093% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  24.71 +/- 3.71   0.043% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.48 +/- 2.61   0.031% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  30.88 +/- 3.92   0.026% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.43 +/- 4.12   0.017% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.33 +/- 0.48  84.865% * 99.6097% (1.00  10.0 10.00   3.62  86.29) =  99.990%  kept
        T HA    GLU-  36 - QB    MET   11  18.00 +/- 5.02   6.191% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA  124 - HG3   GLU-  36  29.45 +/- 9.06   0.557% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  27.92 +/- 3.89   0.194% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  19.25 +/- 5.38   4.991% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  26.37 +/- 9.82   1.547% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  21.51 +/- 3.68   0.543% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.61 +/- 3.43   0.132% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  28.69 +/- 5.95   0.466% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  26.14 +/- 5.88   0.514% *  0.0065% (0.07   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 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   2.35 +/- 0.14  92.534% * 99.4418% (1.00  10.0  1.00   4.28  86.29) =  99.997%  kept
          HB3   GLU-  29 - HG3   GLU-  36  11.34 +/- 2.39   1.289% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU-  79 - QB    MET   11  24.42 +/- 6.36   0.605% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  13.50 +/- 2.49   0.763% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.65 +/- 3.45   1.227% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  15.85 +/- 4.14   1.269% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  25.03 +/- 3.58   0.097% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  32.80 +/- 5.30   0.068% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  15.94 +/- 3.60   0.520% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  16.60 +/- 4.33   0.625% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  32.34 +/- 2.65   0.039% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  22.20 +/- 6.24   0.966% *  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  99.364% * 99.6937% (1.00  10.0 10.00   3.00  86.29) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  17.91 +/- 4.72   0.229% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.70 +/- 1.84   0.065% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  24.38 +/- 3.17   0.046% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  24.34 +/- 5.04   0.053% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  25.22 +/- 4.89   0.079% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  21.06 +/- 5.34   0.112% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  28.50 +/- 6.02   0.052% *  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 = 29.4:
    * O T HB2   SER   37 - HA    SER   37   2.86 +/- 0.16  79.783% * 98.0025% (1.00  10.0 10.00   2.58  29.37) =  99.982%  kept
        T HB2   SER   37 - HA    SER   13  16.34 +/- 4.11   0.786% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.005%
          HA1   GLY   16 - HA    SER   37  15.99 +/- 7.17   4.437% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HA    LYS+  33 - HA    SER   37   7.04 +/- 1.22   7.269% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   37 - HA    THR   46  23.68 +/- 1.31   0.149% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   13   9.42 +/- 1.23   3.046% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HA    SER   37  11.70 +/- 1.94   1.423% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  14.40 +/- 1.82   0.795% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  16.87 +/- 2.04   0.522% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  23.53 +/- 6.46   0.277% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  16.51 +/- 1.90   0.492% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  16.19 +/- 3.35   0.594% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  26.89 +/- 3.75   0.117% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  26.05 +/- 5.31   0.173% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  25.19 +/- 2.41   0.136% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.644, support = 2.32, residual support = 20.3:
    * O T HB3   SER   37 - HA    SER   37   2.81 +/- 0.21  34.590% * 66.5999% (0.84  10.0 10.00   2.58  29.37) =  60.609%  kept
      O T QB    SER   13 - HA    SER   13   2.40 +/- 0.15  53.590% * 27.5626% (0.35  10.0 10.00   1.93   6.46) =  38.861%  kept
          HB    THR   39 - HA    SER   37   5.53 +/- 0.93   5.936% *  3.2736% (0.69   1.0  1.00   1.20   4.44) =   0.511%  kept
          HA    ILE   89 - HA    THR   46   9.11 +/- 2.21   3.787% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.007%
        T QB    SER   13 - HA    SER   37  15.11 +/- 3.73   0.443% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   SER   37 - HA    SER   13  16.25 +/- 4.10   0.311% *  0.3559% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   SER   37 - HA    THR   46  24.26 +/- 1.55   0.056% *  0.6599% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    THR   46  23.51 +/- 3.39   0.072% *  0.5111% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  13.78 +/- 1.64   0.341% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  16.62 +/- 3.72   0.271% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.41 +/- 3.33   0.068% *  0.0796% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.12 +/- 1.49   0.191% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.49 +/- 1.71   0.081% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  25.13 +/- 5.64   0.085% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.82 +/- 1.63   0.037% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.89 +/- 4.84   0.057% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.86 +/- 4.22   0.032% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.43 +/- 6.58   0.052% *  0.0145% (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 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 29.4:
    * O T HA    SER   37 - HB2   SER   37   2.86 +/- 0.16  83.987% * 98.1694% (1.00  10.0 10.00   2.58  29.37) =  99.983%  kept
        T HA    SER   13 - HB2   SER   37  16.34 +/- 4.11   0.823% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  15 - HB2   SER   37  13.77 +/- 6.67   6.142% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU   40 - HB2   SER   37   7.22 +/- 0.74   5.960% *  0.0368% (0.38   1.0  1.00   0.02   0.52) =   0.003%
          HA    GLN   17 - HB2   SER   37  15.89 +/- 6.11   1.697% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   46 - HB2   SER   37  23.68 +/- 1.31   0.157% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB2   SER   37  12.53 +/- 0.63   1.050% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  22.64 +/- 1.63   0.182% *  0.0516% (0.53   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 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 = 29.0:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  78.466% * 93.4107% (0.84  10.0 10.00   2.00  29.37) =  98.401%  kept
          HB    THR   39 - HB2   SER   37   3.29 +/- 0.78  21.146% *  5.6227% (0.69   1.0  1.00   1.46   4.44) =   1.596%  kept
        T QB    SER   13 - HB2   SER   37  14.60 +/- 3.56   0.262% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR  118 - HB2   SER   37  22.22 +/- 3.42   0.056% *  0.1116% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  25.35 +/- 1.57   0.027% *  0.0934% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  23.90 +/- 4.78   0.043% *  0.0381% (0.34   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 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.645, support = 2.32, residual support = 20.2:
    * O T HA    SER   37 - HB3   SER   37   2.81 +/- 0.21  34.713% * 68.0513% (0.84  10.0 10.00   2.58  29.37) =  59.848%  kept
      O T HA    SER   13 - QB    SER   13   2.40 +/- 0.15  53.726% * 29.4827% (0.36  10.0 10.00   1.93   6.46) =  40.131%  kept
        T HA    SER   37 - QB    SER   13  15.11 +/- 3.73   0.443% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.006%
        T HA    SER   13 - HB3   SER   37  16.25 +/- 4.10   0.313% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QB    SER   13   8.62 +/- 1.87   2.129% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  15 - QB    SER   13   6.94 +/- 0.87   2.913% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   SER   37  13.72 +/- 6.49   1.886% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   8.10 +/- 1.20   2.059% *  0.0255% (0.31   1.0  1.00   0.02   0.52) =   0.001%
          HA    GLN   17 - HB3   SER   37  16.08 +/- 5.76   0.571% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.26 +/- 1.55   0.056% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  23.51 +/- 3.39   0.072% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.24 +/- 1.02   0.358% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.24 +/- 3.21   0.385% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.44 +/- 2.68   0.153% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.73 +/- 4.26   0.157% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.27 +/- 1.95   0.066% *  0.0358% (0.44   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 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.4:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  90.938% * 98.1382% (0.84  10.0 10.00   2.00  29.37) =  99.990%  kept
        T HA    VAL   70 - HB3   SER   37  10.43 +/- 1.91   0.536% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   SER   37 - QB    SER   13  14.60 +/- 3.56   0.301% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - HB3   SER   37  14.96 +/- 7.17   1.994% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HB3   SER   37   5.81 +/- 1.51   4.915% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - QB    SER   13  14.68 +/- 1.73   0.182% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   8.96 +/- 1.12   0.788% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    SER   13  14.68 +/- 3.39   0.237% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  23.28 +/- 5.04   0.067% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.38 +/- 4.06   0.043% *  0.0478% (0.41   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 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   2.84 +/- 0.15  84.640% * 99.6880% (1.00  10.0 10.00   6.90 220.97) =  99.993%  kept
        T HB2   LYS+  38 - HA    GLU- 100   9.48 +/- 3.28   7.283% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          HG3   GLU-  29 - HA    LYS+  38  14.98 +/- 1.60   0.716% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    LYS+  38  13.10 +/- 1.50   1.154% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.92 +/- 2.09   1.577% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  15.38 +/- 3.43   0.705% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  18.82 +/- 1.77   0.332% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  29.40 +/- 2.03   0.082% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.67 +/- 4.00   0.554% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.13 +/- 4.01   0.790% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.70 +/- 2.26   1.065% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.06 +/- 5.22   0.698% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.93 +/- 3.57   0.290% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  26.70 +/- 2.66   0.115% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 220.9:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.67 +/- 0.20  71.317% * 98.2125% (1.00  10.0 10.00   5.89 220.97) =  99.982%  kept
        T HB3   LYS+  38 - HA    GLU- 100   8.83 +/- 3.61  10.247% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.009%
          QB    LYS+  33 - HA    LYS+  38   7.71 +/- 1.07   5.754% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HA    LYS+  38  14.49 +/- 3.40   0.697% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HA    LYS+  38  10.98 +/- 1.13   1.189% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HA    LYS+  38  24.13 +/- 2.84   0.117% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - HA    LYS+  38  28.68 +/- 3.37   0.066% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  17.77 +/- 1.58   0.284% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.47 +/- 1.62   0.384% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  16.16 +/- 2.41   0.439% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.71 +/- 3.53   4.025% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  24.96 +/- 2.41   0.101% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.78 +/- 3.61   1.588% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.43 +/- 2.90   0.078% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.14 +/- 2.43   0.113% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  24.86 +/- 3.49   0.108% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  28.93 +/- 1.88   0.060% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.32 +/- 0.68   0.497% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.82 +/- 0.42   1.140% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.60 +/- 0.71   0.587% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  16.81 +/- 3.85   0.638% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  22.17 +/- 3.55   0.195% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  24.74 +/- 2.87   0.112% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.18 +/- 2.78   0.106% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  26.12 +/- 2.62   0.087% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  28.96 +/- 3.41   0.072% *  0.0017% (0.02   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 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.983, support = 6.89, residual support = 217.7:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.58 +/- 0.55  58.766% * 93.0706% (1.00  10.0 10.00   6.91 220.97) =  98.193%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.48 +/- 0.57  17.635% *  5.5125% (0.06   1.0 10.00   5.89  39.72) =   1.745%  kept
        T HG2   LYS+  99 - HA    LYS+  38   8.20 +/- 1.97   3.117% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.051%
        T HG2   LYS+  38 - HA    GLU- 100   8.91 +/- 3.54   5.524% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LEU   31 - HA    LYS+  38   9.36 +/- 1.57   2.714% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    LYS+  38  11.82 +/- 2.40   1.029% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  11.10 +/- 3.94   3.520% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  17.28 +/- 2.48   0.256% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  21.97 +/- 2.23   0.136% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  21.32 +/- 7.38   0.459% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  22.36 +/- 3.96   0.139% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.25 +/- 1.61   0.170% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.48 +/- 1.11   0.217% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   7.19 +/- 1.54   4.671% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.71 +/- 3.07   0.044% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  18.91 +/- 1.82   0.213% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  21.69 +/- 6.79   0.475% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  17.73 +/- 2.03   0.220% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.42 +/- 2.01   0.217% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.70 +/- 4.92   0.166% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  17.84 +/- 1.23   0.258% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  28.04 +/- 2.62   0.052% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.06 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.983, support = 6.57, residual support = 203.4:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.38 +/- 0.61  28.870% * 78.3928% (1.00  10.0 10.00   6.81 220.97) =  91.065%  kept
          QG2   THR   39 - HA    LYS+  38   5.03 +/- 0.43   9.709% * 16.8451% (0.90   1.0  1.00   4.79  28.99) =   6.581%  kept
          QB    ALA   34 - HA    LYS+  38   4.24 +/- 0.56  16.870% *  2.3431% (0.80   1.0  1.00   0.75   0.02) =   1.590%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.26 +/- 0.68   9.954% *  1.7778% (0.02   1.0 10.00   4.97  39.72) =   0.712%  kept
        T HG3   LYS+  99 - HA    LYS+  38   8.90 +/- 2.04   2.252% *  0.2942% (0.38   1.0 10.00   0.02   0.02) =   0.027%
        T HG3   LYS+  38 - HA    GLU- 100   9.41 +/- 4.02   9.014% *  0.0474% (0.06   1.0 10.00   0.02   0.02) =   0.017%
          HG    LEU   71 - HA    LYS+  38  10.00 +/- 2.21   1.963% *  0.0242% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    GLU- 100   6.55 +/- 2.83  10.228% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    GLU- 100   7.63 +/- 2.36   8.027% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HA    LYS+  38  15.20 +/- 3.37   0.498% *  0.0444% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  38  21.38 +/- 2.39   0.140% *  0.0742% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  17.00 +/- 1.42   0.254% *  0.0351% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.23 +/- 1.60   0.112% *  0.0703% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  19.15 +/- 2.03   0.180% *  0.0267% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  12.65 +/- 2.54   0.802% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.09 +/- 2.66   0.196% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  17.81 +/- 4.33   0.316% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.15 +/- 2.07   0.152% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.33 +/- 3.21   0.259% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.73 +/- 2.77   0.206% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.06 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 220.9:
    *   T QD    LYS+  38 - HA    LYS+  38   3.27 +/- 0.67  64.055% * 97.0123% (1.00 10.00   6.00 220.97) =  99.957%  kept
        T QD    LYS+  38 - HA    GLU- 100   8.05 +/- 3.48  21.549% *  0.0586% (0.06 10.00   0.02   0.02) =   0.020%
        T QD    LYS+  65 - HA    LYS+  38  17.93 +/- 2.14   0.549% *  0.8955% (0.92 10.00   0.02   0.02) =   0.008%
        T HB    VAL   83 - HA    LYS+  38  21.44 +/- 3.86   0.366% *  0.9362% (0.97 10.00   0.02   0.02) =   0.006%
          QD    LYS+ 102 - HA    LYS+  38  13.96 +/- 3.01   2.480% *  0.0777% (0.80  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HA    LYS+  38  19.28 +/- 3.05   0.501% *  0.3309% (0.34 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HA    LYS+  38  20.87 +/- 5.70   0.455% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  29.78 +/- 2.54   0.118% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
        T HB    VAL   83 - HA    GLU- 100  19.16 +/- 4.89   0.612% *  0.0566% (0.06 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.29 +/- 0.70   6.061% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  19.82 +/- 2.18   0.391% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  24.15 +/- 6.77   0.323% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.20 +/- 1.99   0.177% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.10 +/- 3.11   0.447% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.81 +/- 2.56   0.195% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  19.99 +/- 6.27   0.629% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  28.09 +/- 2.07   0.137% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  24.46 +/- 6.08   0.354% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  24.75 +/- 2.72   0.325% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  24.72 +/- 2.52   0.277% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.06 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   2.84 +/- 0.15  91.484% * 99.6785% (1.00  10.0 10.00   6.90 220.97) =  99.981%  kept
        T HA    GLU- 100 - HB2   LYS+  38   9.48 +/- 3.28   7.870% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.019%
          HA    VAL   24 - HB2   LYS+  38  19.36 +/- 1.87   0.329% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  24.05 +/- 4.13   0.199% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  27.15 +/- 2.54   0.117% *  0.0154% (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 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 221.0:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  97.409% * 98.9214% (1.00  10.0 10.00   5.73 220.97) =  99.999%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.72 +/- 1.17   1.690% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HB2   LYS+  38  13.17 +/- 1.12   0.247% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  31.28 +/- 1.83   0.018% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.28 +/- 3.57   0.224% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  19.82 +/- 1.55   0.073% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.51 +/- 1.70   0.094% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  26.85 +/- 2.41   0.030% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  18.39 +/- 2.35   0.104% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  25.77 +/- 2.66   0.035% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  29.79 +/- 2.81   0.024% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  26.03 +/- 2.30   0.032% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  30.45 +/- 3.45   0.021% *  0.0275% (0.28   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 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   2.68 +/- 0.09  92.687% * 98.5858% (1.00  10.0 10.00   6.75 220.97) =  99.969%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   9.85 +/- 1.80   2.704% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.029%
          HB2   LEU   31 - HB2   LYS+  38  11.77 +/- 1.68   1.573% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  38  22.16 +/- 7.56   1.007% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  14.11 +/- 2.33   0.955% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.01 +/- 2.43   0.308% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  23.91 +/- 2.19   0.145% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.13 +/- 1.72   0.201% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  24.45 +/- 3.85   0.147% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.64 +/- 1.20   0.212% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.85 +/- 3.20   0.061% *  0.0789% (0.80   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 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 6.14, residual support = 215.0:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.54 +/- 0.33  78.369% * 80.2440% (1.00  10.0 10.00   6.20 220.97) =  96.947%  kept
          QG2   THR   39 - HB2   LYS+  38   5.58 +/- 0.67  11.073% * 16.2751% (0.90   1.0  1.00   4.52  28.99) =   2.778%  kept
          QB    ALA   34 - HB2   LYS+  38   6.37 +/- 0.57   5.914% *  2.8984% (0.80   1.0  1.00   0.90   0.02) =   0.264%  kept
        T HG3   LYS+  99 - HB2   LYS+  38  10.49 +/- 1.85   2.102% *  0.3012% (0.38   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   71 - HB2   LYS+  38  11.16 +/- 2.20   1.480% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  16.84 +/- 3.57   0.406% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  22.98 +/- 2.45   0.138% *  0.0759% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  18.63 +/- 1.52   0.258% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.20 +/- 1.58   0.091% *  0.0720% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  21.03 +/- 2.21   0.169% *  0.0274% (0.34   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 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   2.67 +/- 0.20  86.974% * 99.5407% (1.00  10.0 10.00   5.89 220.97) =  99.968%  kept
        T HA    GLU- 100 - HB3   LYS+  38   8.83 +/- 3.61  12.450% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.032%
          HA    VAL   24 - HB3   LYS+  38  19.18 +/- 2.38   0.295% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  26.12 +/- 2.77   0.110% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  23.42 +/- 3.98   0.171% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 221.0:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  98.758% * 99.2933% (1.00  10.0 10.00   5.73 220.97) =  99.999%  kept
          HG3   GLU-  29 - HB3   LYS+  38  17.01 +/- 2.34   0.227% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  15.16 +/- 2.16   0.379% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  30.95 +/- 2.00   0.019% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  12.55 +/- 2.19   0.373% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  16.30 +/- 3.43   0.163% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  20.86 +/- 2.49   0.079% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.63, residual support = 220.8:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.01 +/- 0.04  84.786% * 98.5858% (1.00  10.0 10.00   5.64 220.97) =  99.910%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   8.88 +/- 2.24   7.506% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.087%
          HB2   LEU   31 - HB3   LYS+  38  11.74 +/- 1.94   2.180% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HB3   LYS+  38  21.30 +/- 7.53   1.816% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  13.22 +/- 2.61   2.069% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  17.98 +/- 2.58   0.508% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  23.21 +/- 2.23   0.208% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  20.44 +/- 1.84   0.300% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  23.88 +/- 3.63   0.209% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.71 +/- 1.36   0.324% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  30.68 +/- 3.34   0.095% *  0.0789% (0.80   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 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.45, residual support = 217.1:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.61 +/- 0.16  79.141% * 82.7486% (1.00  10.0 10.00   5.49 220.97) =  98.006%  kept
          QG2   THR   39 - HB3   LYS+  38   5.60 +/- 0.55   8.502% * 14.4500% (0.90   1.0  1.00   3.89  28.99) =   1.839%  kept
          QB    ALA   34 - HB3   LYS+  38   6.30 +/- 0.48   6.288% *  1.4962% (0.80   1.0  1.00   0.45   0.02) =   0.141%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   9.49 +/- 2.21   2.483% *  0.3106% (0.38   1.0 10.00   0.02   0.02) =   0.012%
        T QG2   ILE   56 - HB3   LYS+  38  22.08 +/- 2.60   0.161% *  0.7828% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB3   LYS+  38  10.64 +/- 2.24   2.404% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB3   LYS+  38  16.79 +/- 3.46   0.428% *  0.0468% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  18.64 +/- 1.85   0.259% *  0.0371% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.48 +/- 1.63   0.109% *  0.0742% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  20.34 +/- 2.56   0.225% *  0.0282% (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 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   2.38 +/- 0.28  97.660% * 98.0597% (1.00  10.0 10.00   4.63 220.97) =  99.994%  kept
        T QD    LYS+  65 - HB3   LYS+  38  18.31 +/- 2.67   0.394% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - HB3   LYS+  38  20.43 +/- 3.55   0.237% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB3   LYS+  38  14.86 +/- 3.35   0.874% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LYS+  38  21.41 +/- 5.55   0.262% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.72 +/- 2.74   0.056% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  23.00 +/- 3.51   0.157% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  24.42 +/- 6.82   0.222% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  27.41 +/- 2.10   0.071% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.15 +/- 2.53   0.067% *  0.0218% (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 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 6.89, residual support = 217.6:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.58 +/- 0.55  68.110% * 93.7297% (1.00  10.0 10.00   6.91 220.97) =  98.165%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.48 +/- 0.57  20.584% *  5.6871% (0.06   1.0 10.00   5.89  39.72) =   1.800%  kept
        T HA    GLU- 100 - HG2   LYS+  38   8.91 +/- 3.54   6.385% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.020%
        T HA    LYS+  38 - HG2   LYS+  99   8.20 +/- 1.97   3.628% *  0.2554% (0.27   1.0 10.00   0.02   0.02) =   0.014%
          HA    VAL   24 - HG2   LYS+  38  18.59 +/- 2.17   0.252% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  18.43 +/- 4.26   0.421% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  23.36 +/- 4.28   0.151% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  27.08 +/- 2.80   0.089% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  20.43 +/- 4.30   0.195% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  23.05 +/- 3.57   0.186% *  0.0039% (0.04   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 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   2.68 +/- 0.09  90.239% * 99.4277% (1.00  10.0 10.00   6.75 220.97) =  99.990%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   9.85 +/- 1.80   2.633% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.008%
          HG3   GLU-  29 - HG2   LYS+  38  16.05 +/- 1.88   0.622% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HG2   LYS+  38  14.22 +/- 1.54   0.832% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.63 +/- 2.25   0.959% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  16.35 +/- 3.82   0.639% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  18.49 +/- 4.11   0.509% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  20.06 +/- 2.03   0.262% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  11.80 +/- 1.99   1.480% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  16.85 +/- 4.12   0.782% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  16.96 +/- 4.24   0.582% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  31.07 +/- 2.26   0.062% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  21.60 +/- 4.15   0.308% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  27.26 +/- 1.98   0.091% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.01 +/- 0.04  56.682% * 98.9095% (1.00  10.0 10.00   5.64 220.97) =  99.961%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   8.88 +/- 2.24   5.250% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.025%
          HB3   GLN   30 - HG2   LYS+  99  12.74 +/- 4.33  11.143% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - HG2   LYS+  99  11.33 +/- 3.85  13.665% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HG2   LYS+  38   8.75 +/- 0.92   2.819% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  38  12.67 +/- 1.26   0.857% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   LYS+  38  15.71 +/- 3.88   0.832% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  14.50 +/- 4.22   2.565% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  19.19 +/- 1.62   0.247% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.72 +/- 1.04   1.704% *  0.0083% (0.08   1.0  1.00   0.02   0.34) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  13.07 +/- 0.45   0.700% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  17.55 +/- 2.57   0.389% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.04 +/- 1.69   0.310% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.51 +/- 0.55   1.380% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  26.70 +/- 2.52   0.090% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  25.73 +/- 3.28   0.110% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.22 +/- 3.00   0.080% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  25.44 +/- 2.43   0.105% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.10 +/- 3.40   0.214% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  21.86 +/- 4.00   0.243% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.59 +/- 2.35   0.135% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  30.60 +/- 2.09   0.057% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  23.43 +/- 2.81   0.145% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  30.41 +/- 3.45   0.062% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  26.70 +/- 1.99   0.086% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  26.93 +/- 4.03   0.130% *  0.0075% (0.08   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 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 = 6.52, residual support = 215.0:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  43.761% * 76.2929% (1.00  10.0 10.00   6.53 220.97) =  89.922%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  43.761% *  7.8036% (0.10  10.0 10.00   6.58 174.90) =   9.198%  kept
          QG2   THR   39 - HG2   LYS+  38   6.01 +/- 1.10   2.195% * 14.6744% (0.90   1.0  1.00   4.29  28.99) =   0.868%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   9.83 +/- 2.45   0.590% *  0.2079% (0.27   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HG2   LYS+  38  10.17 +/- 2.08   0.374% *  0.2863% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HG2   LYS+  38   5.90 +/- 0.83   1.668% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HG2   LYS+  99   6.74 +/- 2.72   5.509% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HG2   LYS+  99   7.62 +/- 1.74   1.171% *  0.0186% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HG2   LYS+  38  20.88 +/- 2.20   0.030% *  0.2602% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.63 +/- 2.46   0.252% *  0.0235% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.20 +/- 2.49   0.047% *  0.0709% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  16.64 +/- 3.54   0.073% *  0.0432% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.84 +/- 2.45   0.023% *  0.0722% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.69 +/- 2.13   0.240% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  18.28 +/- 1.44   0.041% *  0.0342% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.98 +/- 3.04   0.071% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  24.66 +/- 1.81   0.017% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.85 +/- 3.50   0.078% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  18.51 +/- 3.59   0.072% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.13 +/- 1.73   0.027% *  0.0186% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 220.9:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.42 +/- 0.16  88.137% * 96.4250% (1.00  10.0 10.00   5.75 220.97) =  99.964%  kept
        T QD    LYS+  38 - HG2   LYS+  99   8.33 +/- 2.21   5.188% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.016%
        T QD    LYS+ 102 - HG2   LYS+  38  14.71 +/- 3.36   0.932% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 102 - HG2   LYS+  99   8.92 +/- 1.09   2.329% *  0.2104% (0.22   1.0 10.00   0.02   1.66) =   0.006%
        T QD    LYS+  65 - HG2   LYS+  38  19.25 +/- 2.42   0.216% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG2   LYS+  38  21.01 +/- 3.25   0.227% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  99  17.96 +/- 2.25   0.256% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  99  19.56 +/- 3.00   0.339% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  22.38 +/- 5.90   0.212% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  16.40 +/- 6.43   0.739% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.38 +/- 2.28   0.045% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  23.04 +/- 3.62   0.129% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  25.42 +/- 7.23   0.201% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.91 +/- 2.24   0.079% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  20.37 +/- 4.19   0.213% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  20.66 +/- 6.40   0.352% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  28.01 +/- 2.21   0.067% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.58 +/- 2.46   0.143% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  28.60 +/- 2.73   0.073% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  23.91 +/- 2.13   0.124% *  0.0059% (0.06   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 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 6.79, residual support = 219.3:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.38 +/- 0.61  56.037% * 97.3136% (1.00  10.0 10.00   6.81 220.97) =  99.069%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.26 +/- 0.68  20.999% *  2.2608% (0.02   1.0 10.00   4.97  39.72) =   0.862%  kept
        T HA    GLU- 100 - HG3   LYS+  38   9.41 +/- 4.02  15.038% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.059%
        T HA    LYS+  38 - HG3   LYS+  99   8.90 +/- 2.04   4.721% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.009%
          HA    VAL   24 - HG3   LYS+  38  19.67 +/- 2.45   0.390% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  18.76 +/- 4.73   1.771% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  24.23 +/- 4.41   0.211% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  27.45 +/- 3.00   0.136% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  20.68 +/- 4.41   0.350% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  22.80 +/- 3.58   0.347% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.10 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 221.0:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.54 +/- 0.33  91.011% * 99.6340% (1.00  10.0 10.00   6.20 220.97) =  99.996%  kept
        T HB2   LYS+  38 - HG3   LYS+  99  10.49 +/- 1.85   2.481% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HG3   LYS+  38  17.10 +/- 2.08   0.416% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  15.31 +/- 1.68   0.562% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.10 +/- 2.22   0.933% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  16.92 +/- 3.58   0.468% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.13 +/- 2.44   0.247% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  18.99 +/- 4.65   0.591% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  17.36 +/- 4.66   0.934% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  31.89 +/- 2.29   0.058% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  11.97 +/- 2.41   1.417% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  22.01 +/- 4.74   0.339% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.18 +/- 4.32   0.454% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  27.42 +/- 2.18   0.088% *  0.0055% (0.05   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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 220.9:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.61 +/- 0.16  63.287% * 98.2474% (1.00  10.0 10.00   5.49 220.97) =  99.990%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   9.49 +/- 2.21   2.047% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - HG3   LYS+  99  13.17 +/- 4.88  14.341% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG3   LYS+  38   9.75 +/- 0.99   1.879% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - HG3   LYS+  38  27.10 +/- 2.68   0.063% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  13.79 +/- 1.31   0.469% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  99  11.94 +/- 4.07   6.865% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  21.82 +/- 3.45   0.164% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  14.55 +/- 4.75   5.932% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  15.97 +/- 3.85   0.557% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  19.65 +/- 2.23   0.166% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.36 +/- 2.42   0.221% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  18.07 +/- 3.19   0.262% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  26.05 +/- 3.34   0.080% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.92 +/- 2.91   0.057% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  26.29 +/- 2.48   0.067% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.34 +/- 0.89   1.149% *  0.0032% (0.03   1.0  1.00   0.02   0.34) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.86 +/- 0.61   0.562% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.37 +/- 0.75   1.133% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  31.43 +/- 2.17   0.039% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  21.59 +/- 4.09   0.219% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  30.85 +/- 3.68   0.045% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.64 +/- 2.36   0.119% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  23.65 +/- 2.99   0.107% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  26.88 +/- 2.16   0.065% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  26.79 +/- 4.13   0.105% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.54, residual support = 216.7:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  48.194% * 89.3736% (1.00  10.0 10.00   6.53 220.97) =  90.708%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  48.194% *  9.1415% (0.10  10.0 10.00   6.58 174.90) =   9.278%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   9.83 +/- 2.45   0.647% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   LYS+  38 - HG3   LYS+  99  10.17 +/- 2.08   0.412% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  11.81 +/- 2.12   0.263% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  12.52 +/- 3.84   0.464% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  14.17 +/- 2.93   0.195% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  22.11 +/- 7.73   0.120% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.37 +/- 2.77   0.046% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  23.85 +/- 2.71   0.022% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  25.57 +/- 2.63   0.017% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.51 +/- 1.42   0.862% *  0.0014% (0.02   1.0  1.00   0.02  18.51) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.34 +/- 1.80   0.029% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.83 +/- 3.80   0.021% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.00 +/- 1.34   0.029% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.78 +/- 3.68   0.010% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.93 +/- 7.01   0.209% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.80 +/- 2.24   0.085% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.74 +/- 1.59   0.036% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  17.93 +/- 1.92   0.052% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.82 +/- 1.47   0.059% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.11 +/- 4.51   0.034% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 220.9:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.31 +/- 0.13  88.781% * 97.6899% (1.00  10.0 10.00   5.54 220.97) =  99.988%  kept
        T QD    LYS+  38 - HG3   LYS+  99   8.82 +/- 2.23   3.967% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - HG3   LYS+  99   8.77 +/- 1.69   2.860% *  0.0816% (0.08   1.0 10.00   0.02   1.66) =   0.003%
        T QD    LYS+  65 - HG3   LYS+  38  19.56 +/- 2.65   0.195% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HG3   LYS+  38  15.05 +/- 3.90   0.907% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG3   LYS+  38  21.75 +/- 3.34   0.163% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  99  17.96 +/- 2.38   0.241% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  22.64 +/- 5.70   0.177% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.85 +/- 3.22   0.335% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.84 +/- 2.95   0.037% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  15.80 +/- 6.55   1.092% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  23.92 +/- 3.77   0.100% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  25.53 +/- 7.01   0.159% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  28.66 +/- 2.19   0.051% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  20.14 +/- 6.47   0.402% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.62 +/- 2.15   0.073% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  20.65 +/- 4.31   0.191% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.28 +/- 2.69   0.050% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.59 +/- 2.53   0.119% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  23.94 +/- 2.18   0.099% *  0.0023% (0.02   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 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   3.27 +/- 0.67  63.109% * 98.6212% (1.00 10.00   6.00 220.97) =  99.914%  kept
        T HA    GLU- 100 - QD    LYS+  38   8.05 +/- 3.48  21.160% *  0.2196% (0.22 10.00   0.02   0.02) =   0.075%
        T HA    LYS+  38 - HD2   LYS+  74  19.28 +/- 3.05   0.494% *  0.2163% (0.22 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - HD2   LYS+  74  14.98 +/- 4.43   2.945% *  0.0334% (0.03 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - QD    LYS+  65  17.93 +/- 2.14   0.540% *  0.1802% (0.18 10.00   0.02   0.02) =   0.002%
        T HA    VAL   83 - QD    LYS+  38  21.14 +/- 3.64   0.375% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  65  11.34 +/- 2.05   2.198% *  0.0278% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  14.32 +/- 2.65   1.399% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  17.54 +/- 2.54   0.633% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  24.04 +/- 2.75   0.230% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  65  19.33 +/- 4.10   0.820% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  12.74 +/- 3.04   1.917% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.10 +/- 3.11   0.442% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  16.33 +/- 4.18   1.578% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  19.82 +/- 2.18   0.387% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  29.78 +/- 2.54   0.116% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  28.09 +/- 2.07   0.135% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  25.36 +/- 4.73   0.253% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.86 +/- 2.26   0.905% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  22.32 +/- 3.78   0.365% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 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   3.02 +/- 0.46  67.602% * 99.6020% (1.00  10.0   5.37 220.97) =  99.994%  kept
          HG3   GLU-  29 - QD    LYS+  38  15.66 +/- 2.40   1.843% *  0.0723% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  29 - QD    LYS+  38  14.11 +/- 1.97   2.159% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  65  12.04 +/- 4.66  10.719% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  12.20 +/- 2.33   1.900% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  38  15.15 +/- 3.33   0.839% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  19.04 +/- 2.52   0.522% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  10.78 +/- 2.47   3.783% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65   9.39 +/- 0.97   2.674% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  21.36 +/- 5.60   1.006% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  13.88 +/- 5.23   1.683% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  19.00 +/- 2.57   0.452% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  21.11 +/- 3.18   0.341% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  18.48 +/- 3.17   0.400% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  17.29 +/- 2.27   0.519% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  27.94 +/- 2.17   0.112% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  19.83 +/- 3.04   0.307% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  16.95 +/- 3.56   0.544% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  18.18 +/- 3.25   0.454% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  19.28 +/- 4.05   0.485% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.15 +/- 2.86   0.354% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  19.38 +/- 3.62   0.530% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  31.88 +/- 2.60   0.065% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  31.60 +/- 4.44   0.077% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  21.57 +/- 2.75   0.245% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.74 +/- 4.08   0.194% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  30.32 +/- 5.30   0.117% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  31.27 +/- 3.93   0.076% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 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   2.38 +/- 0.28  70.775% * 98.4611% (1.00  10.0 10.00   4.63 220.97) =  99.992%  kept
          QB    LYS+  33 - QD    LYS+  38   9.32 +/- 1.15   2.587% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - QD    LYS+  38  12.59 +/- 1.34   0.590% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QD    LYS+  65  18.31 +/- 2.67   0.286% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HD2   LYS+  74  20.43 +/- 3.55   0.172% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HD2   LYS+ 111  12.42 +/- 1.65   0.716% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.83 +/- 4.26   4.754% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  16.50 +/- 2.22   0.283% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  14.70 +/- 3.72   0.920% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65  10.52 +/- 3.03   1.493% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  17.03 +/- 1.86   0.235% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  13.82 +/- 3.75   0.639% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  14.83 +/- 4.91   2.256% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  13.76 +/- 3.31   0.591% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  17.87 +/- 5.32   0.801% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  12.16 +/- 1.67   0.634% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  15.57 +/- 2.87   0.412% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.85 +/- 1.75   0.301% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  23.73 +/- 2.49   0.095% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  15.47 +/- 4.31   0.576% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.91 +/- 1.76   1.844% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  22.85 +/- 3.10   0.100% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  12.32 +/- 2.76   0.878% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.05 +/- 2.22   0.502% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  15.73 +/- 2.49   0.335% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  15.65 +/- 2.82   0.330% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  23.06 +/- 2.06   0.099% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.11 +/- 2.79   0.472% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.18 +/- 2.80   0.060% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  13.19 +/- 3.33   0.849% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  14.27 +/- 3.97   0.801% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  15.90 +/- 1.49   0.276% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  21.12 +/- 5.55   0.375% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.72 +/- 2.74   0.041% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  18.81 +/- 4.06   0.259% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  16.20 +/- 2.71   0.530% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  16.94 +/- 2.39   0.241% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  27.54 +/- 1.99   0.052% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.57 +/- 2.38   0.305% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.02 +/- 2.55   0.329% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  27.03 +/- 3.15   0.065% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.83 +/- 2.04   0.205% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  21.91 +/- 5.01   0.301% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  19.31 +/- 3.82   0.258% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.56 +/- 2.03   0.147% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  16.07 +/- 2.41   0.338% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.42 +/- 3.17   0.347% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  20.04 +/- 2.62   0.150% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.15 +/- 3.56   0.076% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  20.31 +/- 2.24   0.147% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  24.13 +/- 4.29   0.118% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  27.78 +/- 2.87   0.057% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.965, support = 5.77, residual support = 224.3:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.42 +/- 0.16  43.130% * 91.2181% (1.00  10.0 10.00   5.75 220.97) =  96.258%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.86 +/- 0.21  27.304% *  5.4974% (0.06  10.0 10.00   6.21 315.03) =   3.672%  kept
        T HG2   LYS+  99 - QD    LYS+  38   8.33 +/- 2.21   2.582% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.056%
        T HG2   LYS+ 111 - QD    LYS+  65  18.66 +/- 4.28   0.936% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - QD    LYS+  38  10.67 +/- 2.14   0.941% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD    LYS+  65  10.43 +/- 3.69   7.119% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - HD2   LYS+  74  19.56 +/- 3.00   0.137% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  38  27.75 +/- 2.75   0.034% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+  74   7.43 +/- 1.80   3.211% *  0.0068% (0.07   1.0  1.00   0.02   4.74) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+  74  21.01 +/- 3.25   0.104% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  17.96 +/- 2.25   0.126% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  19.25 +/- 2.42   0.105% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  20.32 +/- 3.82   0.105% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   8.26 +/- 1.33   1.778% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.41 +/- 4.04   2.134% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.61 +/- 0.78   1.713% *  0.0075% (0.08   1.0  1.00   0.02   3.33) =   0.000%
          QB    ALA  124 - QD    LYS+  38  19.46 +/- 7.23   0.595% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.16 +/- 2.67   0.825% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.48 +/- 3.16   0.851% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  16.25 +/- 3.42   1.359% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.74 +/- 2.60   0.839% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  16.82 +/- 2.61   0.173% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.80 +/- 2.50   0.087% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  15.47 +/- 2.84   0.395% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.42 +/- 4.66   0.339% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.63 +/- 1.95   0.107% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.27 +/- 1.71   0.118% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  21.75 +/- 3.06   0.069% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.25 +/- 4.24   0.273% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.91 +/- 2.24   0.038% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.39 +/- 4.11   0.764% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  16.36 +/- 2.21   0.158% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.75 +/- 2.33   0.127% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.38 +/- 2.28   0.021% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.49 +/- 3.70   0.306% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  16.28 +/- 2.58   0.187% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  16.04 +/- 2.58   0.195% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.01 +/- 2.83   0.189% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.09 +/- 2.44   0.162% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  22.66 +/- 4.39   0.095% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  21.78 +/- 3.04   0.071% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.63 +/- 2.97   0.032% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.39 +/- 1.83   0.096% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.77 +/- 2.89   0.069% *  0.0011% (0.01   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 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.964, support = 5.52, residual support = 217.3:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.31 +/- 0.13  50.077% * 77.9555% (1.00  10.0 10.00   5.54 220.97) =  95.035%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.89 +/- 0.15  26.433% *  5.8312% (0.07  10.0 10.00   5.54 186.64) =   3.752%  kept
          QG2   THR   39 - QD    LYS+  38   6.04 +/- 0.63   3.358% * 13.2373% (0.90   1.0  1.00   3.79  28.99) =   1.082%  kept
          QB    ALA   34 - QD    LYS+  38   6.23 +/- 0.80   3.104% *  1.4095% (0.80   1.0  1.00   0.45   0.02) =   0.107%  kept
        T HG3   LYS+  99 - QD    LYS+  38   8.82 +/- 2.23   2.231% *  0.2926% (0.38   1.0 10.00   0.02   0.02) =   0.016%
        T HG2   LYS+  74 - QD    LYS+  65   9.91 +/- 3.58   2.438% *  0.0486% (0.06   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  38  18.97 +/- 2.78   0.126% *  0.2659% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.77 +/- 2.44   1.112% *  0.0241% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74  12.37 +/- 3.66   1.046% *  0.0162% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  21.75 +/- 3.34   0.092% *  0.1709% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  19.56 +/- 2.65   0.109% *  0.1424% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.85 +/- 3.22   0.189% *  0.0642% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  13.39 +/- 6.49   1.040% *  0.0097% (0.12   1.0  1.00   0.02   7.69) =   0.000%
          QB    ALA   91 - QD    LYS+  65  15.56 +/- 4.37   0.729% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.84 +/- 3.07   0.209% *  0.0441% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.68 +/- 1.85   0.658% *  0.0135% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  17.96 +/- 2.38   0.134% *  0.0534% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.31 +/- 2.39   0.089% *  0.0737% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.86 +/- 2.54   1.167% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.84 +/- 2.37   0.471% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.82 +/- 2.01   0.389% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  17.20 +/- 1.71   0.142% *  0.0349% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.95 +/- 3.67   0.632% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.58 +/- 1.93   0.316% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.19 +/- 1.74   0.060% *  0.0699% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  13.36 +/- 1.63   0.303% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.55 +/- 1.72   0.355% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  13.91 +/- 4.43   0.485% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.01 +/- 4.74   0.163% *  0.0200% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  13.29 +/- 3.35   0.591% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  14.25 +/- 3.88   0.453% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.61 +/- 2.49   0.520% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.15 +/- 2.26   0.401% *  0.0053% (0.07   1.0  1.00   0.02   1.13) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.84 +/- 2.95   0.021% *  0.0587% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.62 +/- 2.15   0.040% *  0.0220% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.59 +/- 2.10   0.060% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.43 +/- 1.91   0.052% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  22.84 +/- 4.78   0.101% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.06 +/- 3.56   0.045% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  24.93 +/- 4.12   0.059% *  0.0018% (0.02   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 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 = 38.4:
    * O T HB    THR   39 - HA    THR   39   2.70 +/- 0.17  83.201% * 98.6574% (1.00  10.0 10.00   3.00  38.43) =  99.983%  kept
          HB3   SER   37 - HA    THR   39   5.83 +/- 0.43   8.932% *  0.0952% (0.97   1.0  1.00   0.02   4.44) =   0.010%
        T HB    THR   39 - HA    ILE  103  13.78 +/- 1.15   0.717% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   13 - HA    THR   39  15.10 +/- 2.76   0.682% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    THR   39  10.93 +/- 1.95   2.010% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HA    ILE  103  24.57 +/- 4.17   0.357% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  28.58 +/- 3.13   0.080% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  19.29 +/- 3.30   0.303% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  13.91 +/- 3.80   0.896% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  21.76 +/- 4.50   0.531% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  15.67 +/- 2.05   0.539% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  16.39 +/- 2.74   0.469% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  23.29 +/- 3.79   0.177% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  23.62 +/- 2.16   0.141% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  19.16 +/- 4.21   0.338% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  15.57 +/- 3.24   0.626% *  0.0081% (0.08   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 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.869, support = 3.01, residual support = 37.6:
    * O T QG2   THR   39 - HA    THR   39   2.72 +/- 0.46  55.967% * 72.6080% (0.87  10.0 10.00   3.00  38.43) =  95.927%  kept
          HG3   LYS+  38 - HA    THR   39   6.44 +/- 0.59   5.190% * 18.1130% (1.00   1.0  1.00   4.34  28.99) =   2.219%  kept
          QB    ALA   34 - HA    THR   39   5.23 +/- 0.69  10.706% *  7.2110% (0.84   1.0  1.00   2.06   4.76) =   1.822%  kept
          HG    LEU   71 - HA    THR   39   6.93 +/- 2.40  14.274% *  0.0233% (0.28   1.0  1.00   0.02   0.16) =   0.008%
        T QG2   THR   39 - HA    ILE  103  11.38 +/- 1.40   1.130% *  0.2399% (0.29   1.0 10.00   0.02   0.02) =   0.006%
        T QG2   THR   23 - HA    ILE  103  17.77 +/- 4.06   1.106% *  0.1346% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T QG2   THR   23 - HA    THR   39  16.79 +/- 2.04   0.299% *  0.4074% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   91 - HA    THR   39  21.66 +/- 1.85   0.135% *  0.7261% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  16.11 +/- 2.15   0.401% *  0.2399% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    THR   39   8.56 +/- 1.79   2.789% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    THR   39  14.25 +/- 4.41   0.989% *  0.0440% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE  103   9.79 +/- 1.77   1.649% *  0.0231% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE  103   7.93 +/- 0.83   2.721% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   39  19.22 +/- 2.46   0.220% *  0.0808% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  15.79 +/- 2.71   0.406% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  16.61 +/- 2.22   0.420% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  16.42 +/- 2.46   0.390% *  0.0267% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.25 +/- 2.21   0.582% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  18.16 +/- 3.28   0.270% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.29 +/- 1.81   0.355% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.4:
    * O T HA    THR   39 - HB    THR   39   2.70 +/- 0.17  97.351% * 98.7925% (1.00  10.0 10.00   3.00  38.43) =  99.993%  kept
        T HA    ILE  103 - HB    THR   39  13.78 +/- 1.15   0.840% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.006%
          HA    ASP-  44 - HB    THR   39  15.80 +/- 1.18   0.535% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  22.39 +/- 2.38   0.199% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.22 +/- 2.89   0.254% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  20.00 +/- 4.43   0.371% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  21.79 +/- 2.31   0.215% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  28.93 +/- 3.09   0.092% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  24.83 +/- 2.15   0.143% *  0.0599% (0.61   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 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 = 0.863, support = 2.94, residual support = 33.0:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.01  67.010% * 44.9390% (0.87  10.0 10.00   3.00  38.43) =  83.285%  kept
        T QB    ALA   34 - HB    THR   39   5.00 +/- 1.32  13.336% * 43.2729% (0.84   1.0 10.00   2.55   4.76) =  15.961%  kept
          HG3   LYS+  38 - HB    THR   39   7.53 +/- 1.11   2.475% * 10.8022% (1.00   1.0  1.00   4.18  28.99) =   0.740%  kept
          HG    LEU   71 - HB    THR   39   6.50 +/- 2.83  14.457% *  0.0144% (0.28   1.0  1.00   0.02   0.16) =   0.006%
        T HG3   LYS+  99 - HB    THR   39   9.87 +/- 1.83   1.145% *  0.1767% (0.34   1.0 10.00   0.02   0.02) =   0.006%
        T QG2   THR   23 - HB    THR   39  15.94 +/- 2.72   0.255% *  0.2522% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HB    THR   39  21.46 +/- 1.80   0.073% *  0.4494% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB    THR   39  13.33 +/- 5.68   0.956% *  0.0273% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  19.57 +/- 2.59   0.116% *  0.0500% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.07 +/- 1.68   0.177% *  0.0160% (0.31   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 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.4:
    * O T HA    THR   39 - QG2   THR   39   2.72 +/- 0.46  62.819% * 96.3159% (0.87  10.0 10.00   3.00  38.43) =  99.947%  kept
        T HA    ILE  103 - QG2   THR   39  11.38 +/- 1.40   1.313% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.015%
        T HA    ILE  103 - QG2   THR   23  17.77 +/- 4.06   1.549% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.010%
          HB    THR   77 - QB    ALA   91   6.73 +/- 1.54  11.394% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          HA    SER   85 - QB    ALA   91   8.47 +/- 1.32   7.578% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   39 - QG2   THR   23  16.79 +/- 2.04   0.342% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T HB    THR   77 - QG2   THR   23  15.64 +/- 3.89   0.483% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ILE  103 - QB    ALA   91  16.11 +/- 2.15   0.459% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - QG2   THR   23  13.41 +/- 7.40   2.257% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QB    ALA   91  12.20 +/- 3.24   1.663% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    ALA   91  21.66 +/- 1.85   0.162% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA   91  11.77 +/- 1.96   1.136% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91   9.45 +/- 1.10   1.916% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   23  17.41 +/- 4.89   1.028% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  13.22 +/- 1.15   0.747% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG2   THR   23  16.85 +/- 5.18   1.215% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    ALA   91  14.46 +/- 3.59   0.915% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   39  18.79 +/- 2.42   0.311% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  16.50 +/- 3.88   0.449% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.83 +/- 1.84   0.282% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  20.64 +/- 4.55   0.386% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  18.29 +/- 2.27   0.348% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.84 +/- 1.84   0.455% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  18.67 +/- 5.41   0.374% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  20.77 +/- 2.18   0.204% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.24 +/- 2.26   0.117% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  29.46 +/- 4.17   0.097% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.864, support = 2.96, residual support = 37.8:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.01  59.306% * 90.9710% (0.87  10.0 10.00   3.00  38.43) =  98.077%  kept
          HB3   SER   37 - QG2   THR   39   3.52 +/- 0.83  20.654% *  3.2923% (0.84   1.0  1.00   0.75   4.44) =   1.236%  kept
          HA    ILE   89 - QB    ALA   91   4.85 +/- 1.30   9.316% *  4.0069% (0.40   1.0  1.00   1.93   7.72) =   0.679%  kept
        T HB    THR   39 - QG2   THR   23  15.94 +/- 2.72   0.228% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   30 - QG2   THR   39   8.26 +/- 2.57   2.741% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR   39  12.22 +/- 2.75   0.595% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR   23  13.55 +/- 3.54   0.723% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   91  11.32 +/- 3.73   2.679% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23  15.62 +/- 8.24   0.734% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  21.46 +/- 1.80   0.071% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    ALA   91  12.67 +/- 1.70   0.540% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  19.28 +/- 5.12   0.338% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  16.62 +/- 2.83   0.178% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.61 +/- 1.30   0.792% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  19.00 +/- 3.45   0.121% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  15.89 +/- 2.16   0.181% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  19.60 +/- 1.92   0.088% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  18.27 +/- 3.59   0.136% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  15.21 +/- 1.68   0.189% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  20.61 +/- 4.21   0.146% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.04 +/- 2.56   0.049% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.50 +/- 1.40   0.049% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.01 +/- 2.30   0.047% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.79 +/- 3.19   0.096% *  0.0107% (0.10   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 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 = 5.27, residual support = 104.5:
    * O T HB2   LEU   40 - HA    LEU   40   2.82 +/- 0.25  65.836% * 93.7784% (1.00  10.0 10.00   5.30 105.53) =  98.977%  kept
          HB3   GLU-  14 - HA    GLU-  15   5.18 +/- 0.78  14.078% *  4.3117% (0.39   1.0  1.00   2.34   1.63) =   0.973%  kept
        T HB2   LEU   40 - HA    ASN   35   9.53 +/- 1.63   4.580% *  0.3516% (0.37   1.0 10.00   0.02   0.02) =   0.026%
        T HB2   LEU   40 - HA    GLU-  15  14.72 +/- 4.16   0.886% *  0.7584% (0.81   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   LEU   67 - HA    LEU   40  10.15 +/- 2.20   2.175% *  0.1447% (0.15   1.0 10.00   0.02   0.02) =   0.005%
          HB3   MET   96 - HA    LEU   40  11.32 +/- 1.58   1.732% *  0.0751% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   67 - HA    GLU-  15  15.48 +/- 4.82   0.970% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   67 - HA    ASN   35  15.18 +/- 2.94   0.941% *  0.0543% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.39 +/- 0.58   1.940% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   96 - HA    GLU-  15  20.79 +/- 5.07   0.632% *  0.0607% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   11 - HA    GLU-  15  12.65 +/- 2.70   1.534% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LEU   40  15.41 +/- 4.45   0.743% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.02 +/- 3.15   0.478% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  16.19 +/- 4.60   0.902% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  20.90 +/- 6.20   1.241% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  17.25 +/- 2.38   0.370% *  0.0282% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  24.44 +/- 2.97   0.130% *  0.0569% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  22.05 +/- 4.91   0.242% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  26.23 +/- 4.81   0.129% *  0.0460% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  17.84 +/- 3.68   0.394% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  30.38 +/- 3.63   0.066% *  0.0213% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.921, support = 5.53, residual support = 105.5:
    * O T HB3   LEU   40 - HA    LEU   40   2.44 +/- 0.28  57.269% * 70.6117% (1.00  10.0 10.00   5.55 105.53) =  87.388%  kept
      O T HG    LEU   40 - HA    LEU   40   3.48 +/- 0.29  21.943% * 26.5014% (0.38  10.0 10.00   5.46 105.53) =  12.567%  kept
        T HB3   LEU   40 - HA    ASN   35   9.26 +/- 1.51   2.468% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.014%
        T HG    LEU   40 - HA    ASN   35  10.64 +/- 1.85   6.368% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   LEU   40 - HA    GLU-  15  14.92 +/- 4.33   0.603% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T HG    LEU  115 - HA    LEU   40  18.35 +/- 3.00   0.192% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU  115 - HA    LEU   40  17.73 +/- 2.73   0.210% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LEU   40  10.38 +/- 2.08   1.226% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LEU   40  14.62 +/- 2.69   0.858% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    GLU-  15  20.15 +/- 5.44   0.519% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    GLU-  15  10.92 +/- 3.01   1.635% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LEU   40  16.71 +/- 3.99   0.299% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  23.27 +/- 3.04   0.088% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  24.77 +/- 2.86   0.068% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15  15.71 +/- 4.97   0.557% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  16.65 +/- 5.62   1.040% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  15.22 +/- 3.45   1.020% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  12.69 +/- 1.79   0.534% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  15.17 +/- 3.91   0.483% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  17.14 +/- 5.16   0.330% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  24.28 +/- 2.58   0.071% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  16.46 +/- 5.58   0.551% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  23.25 +/- 3.12   0.081% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  15.64 +/- 1.35   0.250% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.43 +/- 0.77   0.480% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  21.63 +/- 4.34   0.138% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.77 +/- 2.20   0.164% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  22.13 +/- 5.64   0.203% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  20.51 +/- 2.72   0.223% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  22.46 +/- 5.59   0.131% *  0.0046% (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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.29, residual support = 105.4:
    * O T HA    LEU   40 - HB2   LEU   40   2.82 +/- 0.25  61.145% * 97.5383% (1.00  10.0 10.00   5.30 105.53) =  99.844%  kept
          HA    LYS+  99 - HB2   LEU   40   6.16 +/- 1.62  11.888% *  0.5309% (0.25   1.0  1.00   0.44  10.79) =   0.106%  kept
        T HA    ASN   35 - HB2   LEU   40   9.53 +/- 1.63   4.273% *  0.3661% (0.38   1.0 10.00   0.02   0.02) =   0.026%
        T HA    GLU-  15 - HB2   LEU   40  14.72 +/- 4.16   0.843% *  0.9227% (0.95   1.0 10.00   0.02   0.02) =   0.013%
        T HA    LEU   40 - HB2   LEU   67  10.15 +/- 2.20   2.012% *  0.0899% (0.09   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HB2   LEU   40  17.97 +/- 6.94   3.282% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  15 - HB2   LEU   67  15.48 +/- 4.82   0.926% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   LEU   40  10.14 +/- 0.61   1.400% *  0.0366% (0.38   1.0  1.00   0.02   0.52) =   0.001%
          HA    PRO   58 - HB2   LEU   40  16.72 +/- 2.70   0.445% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   40  14.55 +/- 4.93   1.069% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   LEU   40  17.52 +/- 2.81   0.364% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASN   35 - HB2   LEU   67  15.18 +/- 2.94   0.879% *  0.0337% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67  13.18 +/- 6.36   4.549% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  18.57 +/- 1.19   0.235% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  19.61 +/- 2.94   0.240% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  18.35 +/- 6.20   1.445% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  13.98 +/- 2.04   0.629% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  17.27 +/- 3.30   0.511% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  12.50 +/- 2.87   1.756% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  15.40 +/- 3.29   0.812% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  14.99 +/- 2.66   0.955% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  16.79 +/- 1.94   0.344% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.919, support = 4.34, residual support = 105.0:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  56.256% * 69.9238% (1.00  10.0 10.00   4.27 105.53) =  87.703%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.57 +/- 0.23  18.945% * 26.2432% (0.38  10.0  1.00   4.81 105.53) =  11.085%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.69 +/- 0.28  17.266% *  3.1374% (0.04  10.0  1.00   5.02  60.39) =   1.208%  kept
        T HB3   LEU   40 - HB2   LEU   67   9.15 +/- 2.49   0.922% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU   67   7.93 +/- 2.43   1.486% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU   40   8.79 +/- 2.19   0.688% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HB2   LEU   40  16.85 +/- 2.79   0.083% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  13.96 +/- 3.41   0.431% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  15.81 +/- 3.99   0.155% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67   9.92 +/- 3.76   1.675% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  15.83 +/- 2.20   0.091% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.38 +/- 3.06   0.081% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  13.07 +/- 2.04   0.185% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  15.66 +/- 5.21   0.248% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  15.40 +/- 2.19   0.100% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  13.85 +/- 1.94   0.145% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  16.03 +/- 3.80   0.170% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.12 +/- 0.79   0.641% *  0.0014% (0.02   1.0  1.00   0.02   0.39) =   0.000%
          QG2   THR   26 - HB2   LEU   67  12.95 +/- 3.13   0.276% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  16.97 +/- 4.74   0.154% *  0.0011% (0.02   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 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.54, residual support = 105.3:
    * O T HA    LEU   40 - HB3   LEU   40   2.44 +/- 0.28  61.458% * 97.4725% (1.00  10.0 10.00   5.55 105.53) =  99.811%  kept
          HA    LYS+  99 - HB3   LEU   40   5.24 +/- 1.61  17.348% *  0.5305% (0.25   1.0  1.00   0.44  10.79) =   0.153%  kept
        T HA    ASN   35 - HB3   LEU   40   9.26 +/- 1.51   3.176% *  0.3658% (0.38   1.0 10.00   0.02   0.02) =   0.019%
        T HA    GLU-  15 - HB3   LEU   40  14.92 +/- 4.33   0.678% *  0.9221% (0.95   1.0 10.00   0.02   0.02) =   0.010%
          HA    PRO   58 - HB3   LEU  115   9.59 +/- 1.79   5.870% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LEU   40  18.10 +/- 7.00   1.002% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   LEU   40  10.31 +/- 0.62   1.004% *  0.0366% (0.38   1.0  1.00   0.02   0.52) =   0.001%
          HA    GLN   17 - HB3   LEU   40  14.89 +/- 4.87   0.830% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB3   LEU  115  17.73 +/- 2.73   0.248% *  0.1144% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  17.12 +/- 2.96   0.292% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   7.47 +/- 1.76   5.294% *  0.0047% (0.05   1.0  1.00   0.02   0.12) =   0.000%
          HA    SER   13 - HB3   LEU   40  17.81 +/- 3.34   0.218% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  23.27 +/- 3.04   0.096% *  0.1082% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  19.97 +/- 2.99   0.185% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  18.88 +/- 1.12   0.167% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  10.84 +/- 1.57   1.178% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  24.28 +/- 2.58   0.083% *  0.0429% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.08 +/- 1.04   0.362% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  26.09 +/- 4.28   0.078% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  20.41 +/- 3.73   0.151% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.10 +/- 2.90   0.216% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  25.97 +/- 2.59   0.068% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 105.5:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  95.971% * 99.4293% (1.00  10.0 10.00   4.27 105.53) =  99.997%  kept
        T HB2   LEU   67 - HB3   LEU   40   9.15 +/- 2.49   1.563% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   96 - HB3   LEU   40  11.68 +/- 1.44   0.466% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.85 +/- 2.79   0.143% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  15.06 +/- 4.37   0.302% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.85 +/- 3.12   0.153% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.48 +/- 1.87   0.435% *  0.0093% (0.09   1.0  1.00   0.02   0.13) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.23 +/- 2.04   0.449% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  15.40 +/- 2.19   0.170% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  23.57 +/- 3.25   0.050% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  21.69 +/- 5.15   0.097% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.14 +/- 4.24   0.130% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  25.16 +/- 3.71   0.039% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  29.53 +/- 6.28   0.031% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.3, residual support = 76.1:
    * O T HB    VAL   41 - HA    VAL   41   2.77 +/- 0.25  85.178% * 99.0830% (0.69  10.0 10.00   4.30  76.10) =  99.987%  kept
          HG12  ILE  103 - HA    VAL   41   9.34 +/- 1.26   2.950% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HA    VAL   41  11.43 +/- 1.47   1.958% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    VAL   41  12.01 +/- 2.09   1.608% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    VAL   41  11.96 +/- 2.12   1.487% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    VAL   41  10.06 +/- 1.75   2.298% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    VAL   41  11.62 +/- 1.18   1.417% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  19.99 +/- 4.69   0.406% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HA    VAL   41  22.59 +/- 2.97   0.218% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  12.04 +/- 1.01   1.188% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  17.91 +/- 2.31   0.519% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  21.98 +/- 2.21   0.208% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  18.25 +/- 1.86   0.341% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  21.00 +/- 1.67   0.223% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.24, residual support = 75.5:
    * O T QG1   VAL   41 - HA    VAL   41   2.60 +/- 0.34  55.287% * 93.7983% (1.00  10.0 10.00   4.27  76.10) =  99.141%  kept
          QG1   VAL   43 - HA    VAL   41   5.95 +/- 1.17   7.885% *  5.0898% (0.95   1.0  1.00   1.15   1.46) =   0.767%  kept
        T QG2   VAL   18 - HA    VAL   41  12.04 +/- 5.15   4.517% *  0.7168% (0.76   1.0 10.00   0.02   0.02) =   0.062%
          QD2   LEU   73 - HA    VAL   41   6.42 +/- 2.13  14.300% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.011%
        T QD2   LEU  104 - HA    VAL   41   8.35 +/- 1.27   2.233% *  0.1856% (0.20   1.0 10.00   0.02   0.02) =   0.008%
          QD1   ILE   19 - HA    VAL   41  10.55 +/- 4.83  12.248% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   31 - HA    VAL   41   8.83 +/- 2.42   2.541% *  0.0569% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HA    VAL   41  12.32 +/- 1.16   0.597% *  0.0607% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  14.82 +/- 1.72   0.391% *  0.0209% (0.22   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 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 76.0:
    * O T QG2   VAL   41 - HA    VAL   41   2.51 +/- 0.47  78.169% * 98.6338% (1.00  10.0 10.00   3.94  76.10) =  99.746%  kept
          QD2   LEU   98 - HA    VAL   41   5.03 +/- 1.27  15.810% *  1.2130% (0.95   1.0  1.00   0.26  26.26) =   0.248%  kept
          QD2   LEU   63 - HA    VAL   41   8.92 +/- 2.16   4.310% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   80 - HA    VAL   41  12.69 +/- 3.90   1.711% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.3, residual support = 76.1:
    * O T HA    VAL   41 - HB    VAL   41   2.77 +/- 0.25  97.914% * 99.8595% (0.69  10.0 10.00   4.30  76.10) =  99.999%  kept
          HA    HIS  122 - HB    VAL   41  17.73 +/- 6.30   1.025% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB    VAL   41  12.85 +/- 1.28   1.061% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.28, residual support = 75.6:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  67.362% * 93.1179% (0.69  10.0 10.00   4.30  76.10) =  99.299%  kept
          QG1   VAL   43 - HB    VAL   41   5.83 +/- 1.55   6.519% *  5.7782% (0.65   1.0  1.00   1.31   1.46) =   0.596%  kept
        T QG2   VAL   18 - HB    VAL   41  12.69 +/- 5.03   7.722% *  0.7116% (0.52   1.0 10.00   0.02   0.02) =   0.087%
        T QD2   LEU  104 - HB    VAL   41   7.63 +/- 1.76   2.273% *  0.1843% (0.14   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   73 - HB    VAL   41   7.21 +/- 2.57   8.533% *  0.0417% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   31 - HB    VAL   41   8.22 +/- 2.57   3.335% *  0.0565% (0.42   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HB    VAL   41  11.04 +/- 4.41   3.683% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   41  12.76 +/- 1.48   0.378% *  0.0602% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.49 +/- 1.64   0.195% *  0.0207% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 4.14, residual support = 74.0:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  67.509% * 91.0666% (0.69  10.0 10.00   4.24  76.10) =  95.801%  kept
          QD2   LEU   98 - HB    VAL   41   3.83 +/- 1.57  30.637% *  8.7921% (0.65   1.0  1.00   2.04  26.26) =   4.197%  kept
          QD1   LEU   80 - HB    VAL   41  12.68 +/- 4.56   0.824% *  0.0861% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB    VAL   41  10.13 +/- 2.34   1.030% *  0.0552% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 76.1:
    * O T HA    VAL   41 - QG2   VAL   41   2.51 +/- 0.47  96.552% * 99.8595% (1.00  10.0 10.00   3.94  76.10) =  99.998%  kept
          HA    HIS  122 - QG2   VAL   41  15.55 +/- 5.27   1.644% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - QG2   VAL   41  10.61 +/- 0.74   1.804% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.24, residual support = 76.1:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  81.006% * 99.0830% (0.69  10.0 10.00   4.24  76.10) =  99.981%  kept
          HG12  ILE  103 - QG2   VAL   41   6.56 +/- 1.70   6.738% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.010%
          HB3   ASP- 105 - QG2   VAL   41   9.65 +/- 1.86   4.111% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  103 - QG2   VAL   41   8.49 +/- 1.63   1.852% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - QG2   VAL   41   8.34 +/- 2.04   2.030% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG2   VAL   41  11.55 +/- 1.91   0.785% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   VAL   41  11.80 +/- 1.79   0.641% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG2   VAL   41  17.91 +/- 3.84   0.224% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.54 +/- 1.52   1.240% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.15 +/- 2.40   0.639% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.57 +/- 2.63   0.134% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  14.63 +/- 1.95   0.299% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.44 +/- 1.71   0.115% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  16.86 +/- 1.84   0.186% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 3.94, residual support = 74.6:
    * O T QG1   VAL   41 - QG2   VAL   41   2.06 +/- 0.05  50.175% * 89.6143% (1.00  10.0 10.00   4.00  76.10) =  97.953%  kept
          QG1   VAL   43 - QG2   VAL   41   4.59 +/- 1.27   9.095% *  7.7069% (0.95   1.0  1.00   1.82   1.46) =   1.527%  kept
          HG    LEU   31 - QG2   VAL   41   6.80 +/- 2.81  11.020% *  1.1250% (0.61   1.0  1.00   0.41   0.02) =   0.270%  kept
          QD2   LEU   73 - QG2   VAL   41   5.85 +/- 2.50   9.256% *  0.5860% (0.45   1.0  1.00   0.29   0.02) =   0.118%  kept
        T QG2   VAL   18 - QG2   VAL   41  10.81 +/- 4.68   7.689% *  0.6849% (0.76   1.0 10.00   0.02   0.02) =   0.115%  kept
        T QD2   LEU  104 - QG2   VAL   41   6.67 +/- 1.47   2.861% *  0.1773% (0.20   1.0 10.00   0.02   0.02) =   0.011%
          QD1   ILE   19 - QG2   VAL   41   9.41 +/- 4.49   9.211% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - QG2   VAL   41  10.64 +/- 1.20   0.481% *  0.0580% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QG2   VAL   41  13.27 +/- 1.39   0.212% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.861, support = 4.43, residual support = 86.5:
    * O T HB    VAL   42 - HA    VAL   42   2.90 +/- 0.16  52.771% * 88.7727% (0.87  10.0 10.00   4.52  89.24) =  96.887%  kept
          QB    LEU   98 - HA    VAL   42   4.68 +/- 1.01  17.812% *  7.0321% (0.76   1.0  1.00   1.80   0.41) =   2.590%  kept
        T HB2   LYS+ 112 - HA    PHE   55   8.08 +/- 3.93  10.458% *  2.2082% (0.16   1.0 10.00   0.27   0.84) =   0.478%  kept
          HB3   LEU   73 - HA    VAL   42   8.82 +/- 2.02   3.386% *  0.3636% (0.80   1.0  1.00   0.09   0.64) =   0.025%
        T HB2   LYS+ 112 - HA    VAL   42  17.32 +/- 2.26   0.301% *  0.7030% (0.69   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HA    VAL   42  10.64 +/- 2.03   3.209% *  0.0498% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HA    VAL   42   8.49 +/- 1.30   2.559% *  0.0579% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HA    VAL   42  14.73 +/- 5.33   1.887% *  0.0459% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    VAL   42  12.87 +/- 1.94   0.855% *  0.0945% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    VAL   42  13.43 +/- 1.83   0.669% *  0.0888% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    PHE   55  18.25 +/- 2.30   0.263% *  0.2089% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  13.12 +/- 1.41   0.622% *  0.0782% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    VAL   42  18.54 +/- 2.90   0.282% *  0.0988% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    VAL   42  14.04 +/- 3.38   0.768% *  0.0316% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    PHE   55  17.67 +/- 4.82   1.802% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  18.93 +/- 4.63   0.572% *  0.0193% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.77 +/- 2.40   0.396% *  0.0209% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  18.24 +/- 3.18   0.571% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  20.40 +/- 2.24   0.183% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.88 +/- 2.22   0.226% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  24.16 +/- 4.48   0.121% *  0.0232% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  27.63 +/- 3.61   0.074% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.16 +/- 3.39   0.072% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.97 +/- 3.26   0.141% *  0.0074% (0.07   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 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 89.2:
    * O T QG1   VAL   42 - HA    VAL   42   2.53 +/- 0.29  72.316% * 98.1799% (0.97  10.0 10.00   4.00  89.24) =  99.963%  kept
        T QB    ALA   64 - HA    VAL   42   6.85 +/- 1.49   5.953% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.017%
        T QB    ALA   47 - HA    VAL   42  13.59 +/- 1.28   0.625% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.009%
          HG2   LYS+ 112 - HA    PHE   55   8.20 +/- 3.93  18.273% *  0.0164% (0.16   1.0  1.00   0.02   0.84) =   0.004%
        T QB    ALA   47 - HA    PHE   55  10.84 +/- 1.59   1.233% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.004%
        T QG1   VAL   42 - HA    PHE   55  13.89 +/- 1.63   0.502% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   64 - HA    PHE   55  12.64 +/- 1.78   0.736% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  17.10 +/- 3.00   0.361% *  0.0699% (0.69   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 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   2.39 +/- 0.42  92.983% * 96.8205% (0.80  10.0 10.00   4.00  89.24) =  99.818%  kept
          QG2   VAL   75 - HA    VAL   42   6.76 +/- 1.39   5.526% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.180%  kept
        T QG2   VAL   42 - HA    PHE   55  15.08 +/- 2.11   0.820% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   75 - HA    PHE   55  15.96 +/- 2.37   0.671% *  0.0184% (0.15   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 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.862, support = 4.48, residual support = 88.3:
    * O T HA    VAL   42 - HB    VAL   42   2.90 +/- 0.16  74.670% * 93.4467% (0.87  10.0 10.00   4.52  89.24) =  98.979%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.08 +/- 3.93  14.282% *  4.9834% (0.35   1.0 10.00   0.27   0.84) =   1.010%  kept
        T HA    VAL   42 - HB2   LYS+ 112  17.32 +/- 2.26   0.426% *  0.6595% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    PHE   55 - HB    VAL   42  18.25 +/- 2.30   0.369% *  0.5291% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - HB    VAL   42  14.61 +/- 5.19   1.438% *  0.0567% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   8.45 +/- 1.24   4.098% *  0.0183% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   LYS+ 112  12.24 +/- 2.42   1.792% *  0.0347% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.16 +/- 1.02   0.875% *  0.0492% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   42  14.35 +/- 0.70   0.637% *  0.0567% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - HB    VAL   42  18.33 +/- 1.75   0.351% *  0.0351% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  17.31 +/- 2.50   0.470% *  0.0260% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.37 +/- 2.94   0.323% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  23.36 +/- 4.33   0.199% *  0.0400% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  30.38 +/- 2.29   0.071% *  0.0400% (0.37   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 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 = 0.737, support = 5.05, residual support = 124.9:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  56.210% * 65.1690% (0.84  10.0 10.00   4.52  89.24) =  76.055%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.51 +/- 0.21  35.204% * 32.7352% (0.42  10.0 10.00   6.74 238.19) =  23.927%  kept
        T QB    ALA   47 - HB2   LYS+ 112  10.94 +/- 2.23   0.790% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   VAL   42 - HB2   LYS+ 112  12.46 +/- 2.18   0.373% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.004%
        T QB    ALA   47 - HB    VAL   42  13.92 +/- 1.22   0.217% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   64 - HB    VAL   42   5.33 +/- 1.28   6.700% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 112 - HB    VAL   42  16.75 +/- 3.08   0.163% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   64 - HB2   LYS+ 112  12.81 +/- 2.01   0.342% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.694, support = 4.38, residual support = 89.0:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  89.076% * 96.8311% (0.69  10.0 10.00   4.39  89.24) =  99.710%  kept
          QG2   VAL   75 - HB    VAL   42   7.14 +/- 1.62  10.198% *  2.4303% (0.56   1.0  1.00   0.62   0.02) =   0.287%  kept
        T QG2   VAL   42 - HB2   LYS+ 112  13.86 +/- 2.09   0.383% *  0.6834% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   75 - HB2   LYS+ 112  15.26 +/- 2.45   0.342% *  0.0552% (0.40   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 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.836, support = 4.5, residual support = 88.7:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  68.453% * 91.0266% (0.84  10.0 10.00   4.52  89.24) =  99.431%  kept
          HB3   LEU   73 - QG1   VAL   42   7.01 +/- 2.16   6.716% *  3.1334% (0.77   1.0  1.00   0.75   0.64) =   0.336%  kept
          QB    LEU   98 - QG1   VAL   42   5.76 +/- 0.89   4.934% *  2.5265% (0.74   1.0  1.00   0.63   0.41) =   0.199%  kept
        T HB2   LYS+ 112 - QB    ALA   47  10.94 +/- 2.23   0.968% *  0.6225% (0.57   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   LYS+ 112 - QG1   VAL   42  12.46 +/- 2.18   0.445% *  0.7208% (0.66   1.0 10.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - QB    ALA   47  14.14 +/- 3.36   4.246% *  0.0513% (0.47   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   42 - QB    ALA   47  13.92 +/- 1.22   0.265% *  0.7861% (0.72   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QG1   VAL   42   8.07 +/- 1.94   2.893% *  0.0511% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG1   VAL   42   7.54 +/- 1.11   1.879% *  0.0594% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   42   9.56 +/- 1.67   1.160% *  0.0910% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG1   VAL   42  11.52 +/- 4.12   2.075% *  0.0470% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QB    ALA   47  14.03 +/- 4.35   1.173% *  0.0786% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  11.79 +/- 1.43   0.488% *  0.0969% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    ALA   47  12.48 +/- 1.82   0.455% *  0.0726% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    ALA   47  11.51 +/- 2.31   0.736% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG1   VAL   42  12.80 +/- 1.30   0.348% *  0.0802% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  14.42 +/- 2.08   0.386% *  0.0693% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  11.25 +/- 2.59   0.949% *  0.0280% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.10 +/- 2.60   0.749% *  0.0324% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.30 +/- 2.36   0.225% *  0.1013% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  20.68 +/- 3.31   0.120% *  0.0875% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  21.70 +/- 3.08   0.122% *  0.0693% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.43 +/- 2.72   0.078% *  0.0837% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  18.28 +/- 2.39   0.137% *  0.0406% (0.37   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 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 = 3.98, residual support = 88.7:
    * O T QG2   VAL   42 - QG1   VAL   42   2.05 +/- 0.04  80.912% * 96.1881% (0.77  10.0 10.00   4.00  89.24) =  99.375%  kept
          QG2   VAL   75 - QG1   VAL   42   5.66 +/- 1.55  16.604% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.618%  kept
        T QG2   VAL   42 - QB    ALA   47  11.65 +/- 1.44   0.542% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   75 - QB    ALA   47   8.83 +/- 1.47   1.942% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 89.2:
    * O T HA    VAL   42 - QG2   VAL   42   2.39 +/- 0.42  94.002% * 99.2010% (0.80  10.0 10.00   4.00  89.24) =  99.992%  kept
        T HA    PHE   55 - QG2   VAL   42  15.08 +/- 2.11   0.831% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.005%
          HA    THR   46 - QG2   VAL   42  11.10 +/- 1.23   1.760% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   VAL   42  12.79 +/- 4.08   1.414% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   VAL   42  12.37 +/- 0.80   0.879% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QG2   VAL   42  15.32 +/- 1.59   0.551% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  14.00 +/- 1.86   0.564% *  0.0276% (0.22   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.37, residual support = 88.7:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  65.899% * 95.6100% (0.69  10.0 10.00   4.39  89.24) =  99.347%  kept
          QB    LEU   98 - QG2   VAL   42   5.12 +/- 1.24  14.750% *  2.6537% (0.61   1.0  1.00   0.63   0.41) =   0.617%  kept
          HB3   LEU   73 - QG2   VAL   42   7.70 +/- 1.87   2.927% *  0.3916% (0.64   1.0  1.00   0.09   0.64) =   0.018%
          HD3   LYS+ 121 - QG2   VAL   42  11.19 +/- 4.92   9.871% *  0.0494% (0.36   1.0  1.00   0.02   0.02) =   0.008%
        T HB2   LYS+ 112 - QG2   VAL   42  13.86 +/- 2.09   0.283% *  0.7571% (0.55   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - QG2   VAL   42   7.72 +/- 1.12   1.689% *  0.0624% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QG2   VAL   42  10.72 +/- 1.78   0.933% *  0.1017% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QG2   VAL   42   9.08 +/- 2.03   1.581% *  0.0537% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG2   VAL   42  10.07 +/- 1.83   0.878% *  0.0956% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  11.91 +/- 1.83   0.434% *  0.0842% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  15.08 +/- 2.39   0.234% *  0.1064% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  12.83 +/- 2.45   0.520% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 3.99, residual support = 89.1:
    * O T QG1   VAL   42 - QG2   VAL   42   2.05 +/- 0.04  74.756% * 98.4505% (0.77  10.0 10.00   4.00  89.24) =  99.840%  kept
          QB    ALA   64 - QG2   VAL   42   5.00 +/- 1.67  24.431% *  0.4615% (0.16   1.0  1.00   0.46   0.02) =   0.153%  kept
        T QB    ALA   47 - QG2   VAL   42  11.65 +/- 1.44   0.483% *  1.0179% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+ 112 - QG2   VAL   42  13.78 +/- 2.41   0.330% *  0.0701% (0.55   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 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   2.79 +/- 0.24  95.936% * 99.7401% (0.97  10.0 10.00   3.30  61.01) =  99.997%  kept
          HB2   LYS+  99 - HA    VAL   43  12.08 +/- 1.19   1.437% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HA    VAL   43  16.37 +/- 5.60   1.991% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HA    VAL   43  15.54 +/- 1.20   0.636% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.893, support = 4.47, residual support = 60.5:
    * O T QG1   VAL   43 - HA    VAL   43   2.69 +/- 0.32  55.243% * 97.6038% (0.90  10.0 10.00   4.51  61.01) =  99.136%  kept
          QD2   LEU   73 - HA    VAL   43   5.17 +/- 1.95  22.800% *  2.0030% (0.53   1.0  1.00   0.70   2.53) =   0.840%  kept
          QG1   VAL   41 - HA    VAL   43   7.19 +/- 0.77   4.075% *  0.1079% (0.99   1.0  1.00   0.02   1.46) =   0.008%
          QG2   THR   46 - HA    VAL   43   7.48 +/- 1.03   4.987% *  0.0616% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          QG2   VAL   18 - HA    VAL   43  11.36 +/- 5.85   3.245% *  0.0748% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - HA    VAL   43  10.68 +/- 3.01   1.958% *  0.0748% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   43  11.54 +/- 4.88   4.503% *  0.0271% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HA    VAL   43  10.60 +/- 1.79   2.183% *  0.0168% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   43  11.73 +/- 1.70   1.006% *  0.0303% (0.28   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 61.0:
    * O T QG2   VAL   43 - HA    VAL   43   2.37 +/- 0.41  89.300% * 98.9143% (0.69  10.0 10.00   3.00  61.01) =  99.946%  kept
        T QD2   LEU   31 - HA    VAL   43   8.43 +/- 2.80   4.290% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.051%
          QG2   VAL   83 - HA    VAL   43   7.41 +/- 2.34   6.410% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.003%
    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   2.79 +/- 0.24  94.329% * 99.8083% (0.97  10.0 10.00   3.30  61.01) =  99.997%  kept
          HA    ASN   69 - HB    VAL   43  14.54 +/- 1.88   1.106% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  10.67 +/- 2.02   3.594% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB    VAL   43  15.33 +/- 3.68   0.971% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.86, residual support = 60.8:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.02  71.355% * 90.0999% (0.87  10.0 10.00   3.87  61.01) =  99.715%  kept
        T QG1   VAL   41 - HB    VAL   43   7.63 +/- 0.60   1.654% *  8.8232% (0.96   1.0 10.00   0.18   1.46) =   0.226%  kept
        T QG2   VAL   18 - HB    VAL   43  12.87 +/- 5.91   2.375% *  0.6901% (0.66   1.0 10.00   0.02   0.02) =   0.025%
        T QD2   LEU  104 - HB    VAL   43  10.16 +/- 2.33   8.614% *  0.1550% (0.15   1.0 10.00   0.02   0.02) =   0.021%
          QD2   LEU   73 - HB    VAL   43   6.76 +/- 2.14   8.094% *  0.0529% (0.51   1.0  1.00   0.02   2.53) =   0.007%
          QG2   THR   46 - HB    VAL   43   8.13 +/- 1.29   3.520% *  0.0569% (0.55   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HB    VAL   43  11.30 +/- 3.47   1.056% *  0.0690% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    VAL   43  12.83 +/- 4.93   2.892% *  0.0251% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB    VAL   43  12.46 +/- 1.57   0.440% *  0.0279% (0.27   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.87, residual support = 61.0:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.01  85.173% * 98.9143% (0.66  10.0 10.00   2.87  61.01) =  99.962%  kept
        T QD2   LEU   31 - HB    VAL   43   8.96 +/- 3.21   2.573% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.032%
          QG2   VAL   83 - HB    VAL   43   6.39 +/- 2.99  12.254% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.006%
    Distance limit 2.97 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   2.69 +/- 0.32  91.096% * 99.8083% (0.90  10.0 10.00   4.51  61.01) =  99.996%  kept
          HA    HIS   22 - QG1   VAL   43  12.62 +/- 3.60   1.781% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG1   VAL   43  11.89 +/- 1.74   1.536% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   71 - QG1   VAL   43   8.51 +/- 1.93   5.587% *  0.0222% (0.20   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 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 3.87, residual support = 61.0:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.02  95.941% * 99.7401% (0.87  10.0 10.00   3.87  61.01) =  99.997%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.72 +/- 2.22   1.638% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG1   VAL   43  14.81 +/- 5.40   1.838% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   43  12.42 +/- 1.59   0.583% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.87 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 = 3.99, residual support = 61.0:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.06  72.994% * 98.9143% (0.62  10.0 10.00   4.00  61.01) =  99.905%  kept
        T QD2   LEU   31 - QG1   VAL   43   7.09 +/- 3.07   5.731% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.083%
          QG2   VAL   83 - QG1   VAL   43   5.52 +/- 2.71  21.275% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.012%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.87, residual support = 61.0:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.01  86.549% * 99.3815% (0.66  10.0 10.00   2.87  61.01) =  99.986%  kept
        T HB    VAL   43 - QD2   LEU   31   8.96 +/- 3.21   2.612% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.009%
          HB3   GLN   17 - QG2   VAL   43  14.62 +/- 5.38   2.991% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QD2   LEU   31  10.29 +/- 3.36   4.309% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  10.30 +/- 1.31   0.876% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  11.89 +/- 1.39   0.557% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD2   LEU   31  11.79 +/- 3.01   1.675% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  15.72 +/- 4.83   0.431% *  0.0293% (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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.534, support = 4.28, residual support = 88.8:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.06  29.435% * 78.7307% (0.62  10.0 10.00   4.00  61.01) =  82.746%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  26.724% * 17.3018% (0.14  10.0 10.00   5.90 231.74) =  16.509%  kept
          QD2   LEU   73 - QG2   VAL   43   5.28 +/- 1.75   7.320% *  1.7320% (0.36   1.0  1.00   0.75   2.53) =   0.453%  kept
          QD2   LEU   73 - QD2   LEU   31   6.19 +/- 2.95   5.805% *  0.6099% (0.10   1.0  1.00   0.92   0.41) =   0.126%  kept
          QG1   VAL   41 - QD2   LEU   31   5.47 +/- 2.04   5.372% *  0.4911% (0.20   1.0  1.00   0.39   0.02) =   0.094%
        T HG    LEU   31 - QG2   VAL   43   8.83 +/- 3.49   1.282% *  0.6030% (0.47   1.0 10.00   0.02   0.02) =   0.028%
        T QG1   VAL   43 - QD2   LEU   31   7.09 +/- 3.07   2.160% *  0.2259% (0.18   1.0 10.00   0.02   0.02) =   0.017%
          QG2   THR   46 - QG2   VAL   43   6.70 +/- 1.23   6.850% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.012%
          QD1   ILE   19 - QG2   VAL   43  10.29 +/- 4.45   6.347% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   41 - QG2   VAL   43   6.14 +/- 1.04   1.430% *  0.0870% (0.68   1.0  1.00   0.02   1.46) =   0.004%
          QG2   VAL   18 - QG2   VAL   43  10.41 +/- 5.12   1.304% *  0.0603% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - QD2   LEU   31   8.98 +/- 2.21   1.127% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - QG2   VAL   43   8.91 +/- 1.76   1.327% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD2   LEU   31   6.89 +/- 1.97   1.529% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.85 +/- 1.60   0.246% *  0.0244% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.72 +/- 3.16   1.329% *  0.0039% (0.03   1.0  1.00   0.02   0.11) =   0.000%
          QG2   THR   46 - QD2   LEU   31  11.49 +/- 2.21   0.301% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.42 +/- 2.16   0.111% *  0.0070% (0.05   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 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.7:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.71 +/- 0.28  86.747% * 97.1917% (1.00  10.0 10.00   2.64  39.67) =  99.981%  kept
        T QG    GLU-  15 - HA    ASP-  44  19.34 +/- 4.27   0.461% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PHE   72 - HA    ASP-  44   8.55 +/- 1.21   3.556% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T QG    GLU-  14 - HA    ASP-  44  19.53 +/- 3.32   0.312% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T QB    MET   11 - HA    ASP-  44  23.45 +/- 4.39   0.297% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    ASP-  44  11.93 +/- 1.96   2.332% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - HA    ASP-  44  12.25 +/- 0.80   1.059% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44  10.56 +/- 1.70   4.906% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ASP-  44  18.87 +/- 2.55   0.329% *  0.0270% (0.28   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 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 4.12, residual support = 39.4:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.65 +/- 0.28  74.298% * 77.3634% (1.00  10.0 10.00   4.14  39.67) =  99.379%  kept
        T QB    ALA   84 - HA    ASP-  44  10.06 +/- 1.00   1.565% * 22.0778% (0.80   1.0 10.00   0.71   0.02) =   0.597%  kept
          HB3   PRO   93 - HA    ASP-  44   6.79 +/- 1.34  11.807% *  0.0591% (0.76   1.0  1.00   0.02   0.02) =   0.012%
          HB2   LEU   63 - HA    ASP-  44   9.11 +/- 2.44   3.503% *  0.0758% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - HA    ASP-  44  10.57 +/- 1.82   1.758% *  0.0694% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ASP-  44  11.78 +/- 2.38   1.178% *  0.0714% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ASP-  44   9.40 +/- 1.93   2.946% *  0.0172% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    ASP-  44  15.45 +/- 2.55   0.566% *  0.0619% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASP-  44  15.17 +/- 2.24   0.518% *  0.0562% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    ASP-  44  19.40 +/- 1.97   0.220% *  0.0747% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  15.79 +/- 0.86   0.379% *  0.0347% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  13.30 +/- 2.35   1.065% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  19.94 +/- 1.03   0.196% *  0.0264% (0.34   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 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.7:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.71 +/- 0.28  89.177% * 98.1053% (1.00  10.0 10.00   2.64  39.67) =  99.990%  kept
          HB    THR   77 - HB2   ASP-  44   9.93 +/- 1.51   2.313% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HA    MET   11 - HB2   ASP-  44  25.09 +/- 4.30   0.180% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  14 - HB2   ASP-  44  19.81 +/- 3.32   0.330% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  44  12.80 +/- 1.47   1.105% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   ASP-  44  10.55 +/- 2.98   3.814% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  16.05 +/- 1.04   0.492% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  14.21 +/- 0.91   0.683% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.25 +/- 1.26   0.575% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.08 +/- 1.28   0.538% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.83 +/- 2.23   0.578% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  22.60 +/- 3.65   0.216% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 39.7:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  88.817% * 99.2040% (1.00  10.0 10.00   2.73  39.67) =  99.990%  kept
          HB3   PRO   93 - HB2   ASP-  44   7.43 +/- 1.50   5.899% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   63 - HB2   ASP-  44   7.62 +/- 2.29   2.600% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HB2   ASP-  44  11.54 +/- 1.79   0.425% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  12.62 +/- 2.42   0.316% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  11.27 +/- 1.00   0.360% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  15.46 +/- 2.05   0.155% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  11.03 +/- 2.01   0.551% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.75 +/- 2.81   0.166% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  19.06 +/- 1.89   0.076% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  13.14 +/- 2.62   0.442% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.00 +/- 1.19   0.125% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  19.62 +/- 1.46   0.068% *  0.0338% (0.34   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 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 39.7:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.65 +/- 0.28  85.496% * 99.3093% (1.00  10.0 10.00   4.14  39.67) =  99.991%  kept
          HB    THR   77 - HB3   ASP-  44   9.29 +/- 1.78   4.273% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HA    ALA   57 - HB3   ASP-  44  10.55 +/- 2.96   5.996% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   ASP-  44  13.27 +/- 1.53   0.782% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  15.56 +/- 1.37   0.502% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB3   ASP-  44  13.76 +/- 1.25   0.797% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB3   ASP-  44  16.04 +/- 1.19   0.475% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.37 +/- 2.38   0.606% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  15.76 +/- 1.56   0.511% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  25.83 +/- 4.50   0.131% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  20.61 +/- 3.52   0.252% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  23.40 +/- 3.89   0.179% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.73, residual support = 39.7:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  96.773% * 99.4398% (1.00  10.0 10.00   2.73  39.67) =  99.998%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.32 +/- 1.62   1.183% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP-  44  11.56 +/- 2.04   0.640% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  13.04 +/- 1.31   0.274% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  11.22 +/- 1.95   0.723% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  19.08 +/- 4.17   0.134% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  19.04 +/- 3.50   0.106% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  22.81 +/- 4.23   0.075% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  19.02 +/- 2.67   0.092% *  0.0276% (0.28   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 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HB2   PHE   45 - HA    PHE   45   2.92 +/- 0.23  97.040% * 99.8680% (1.00  10.0 10.00   3.31  79.82) =  99.998%  kept
          QE    LYS+ 111 - HA    PHE   45  14.54 +/- 2.79   1.370% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HA    PHE   45  15.61 +/- 6.46   1.590% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 79.8:
    * O T HB3   PHE   45 - HA    PHE   45   2.68 +/- 0.27  87.707% * 99.6736% (1.00  10.0 10.00   4.00  79.82) =  99.989%  kept
          QE    LYS+ 112 - HA    PHE   45  11.65 +/- 3.72   6.420% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.007%
          HB    VAL  107 - HA    PHE   45  10.42 +/- 1.02   1.984% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HA    PHE   45  11.02 +/- 1.64   2.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    PHE   45  13.57 +/- 2.88   1.373% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  21.21 +/- 3.54   0.250% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  20.08 +/- 2.96   0.263% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HA    PHE   45 - HB2   PHE   45   2.92 +/- 0.23  98.605% * 99.9145% (1.00  10.0 10.00   3.31  79.82) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.68 +/- 0.71   1.040% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  20.27 +/- 2.22   0.355% *  0.0249% (0.25   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 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  96.485% * 99.6736% (1.00  10.0 10.00   3.31  79.82) =  99.998%  kept
          QE    LYS+ 112 - HB2   PHE   45  10.85 +/- 3.65   1.087% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  107 - HB2   PHE   45   9.28 +/- 1.00   0.750% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HB2   PHE   45  10.74 +/- 2.00   0.893% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  14.26 +/- 3.57   0.665% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  22.77 +/- 3.28   0.053% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  21.17 +/- 3.00   0.066% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 79.8:
    * O T HA    PHE   45 - HB3   PHE   45   2.68 +/- 0.27  98.738% * 99.9145% (1.00  10.0 10.00   4.00  79.82) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  13.75 +/- 0.88   0.927% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   PHE   45  20.73 +/- 2.63   0.335% *  0.0249% (0.25   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 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.390% * 99.8680% (1.00  10.0 10.00   3.31  79.82) = 100.000%  kept
          QE    LYS+ 111 - HB3   PHE   45  13.39 +/- 2.74   0.401% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  17.23 +/- 5.91   0.209% *  0.0375% (0.38   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 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 = 2.88, residual support = 34.1:
    * O T HB    THR   46 - HA    THR   46   2.49 +/- 0.11  96.828% * 98.0423% (1.00  10.0 10.00   2.88  34.07) =  99.996%  kept
          HA    LYS+ 112 - HA    THR   46  11.34 +/- 2.17   1.565% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   37  25.98 +/- 1.93   0.095% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  25.73 +/- 3.94   0.120% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    SER   37  22.56 +/- 7.20   0.444% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  22.56 +/- 7.26   0.544% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.08 +/- 2.52   0.263% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  29.01 +/- 1.97   0.066% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  28.46 +/- 4.07   0.076% *  0.0384% (0.39   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 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T QG2   THR   46 - HA    THR   46   2.95 +/- 0.33  69.640% * 97.3989% (1.00  10.0 10.00   3.00  34.07) =  99.967%  kept
          QG2   VAL   18 - HA    SER   13  10.03 +/- 2.36   6.057% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   41 - HA    SER   37   8.30 +/- 0.89   4.026% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    THR   46   9.03 +/- 1.38   2.990% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T QG2   THR   46 - HA    SER   37  20.73 +/- 1.31   0.230% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    SER   13   9.38 +/- 2.47   3.976% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   13  20.52 +/- 3.29   0.303% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    SER   37  12.94 +/- 4.07   1.967% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    THR   46  14.62 +/- 5.58   1.639% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    SER   37  16.13 +/- 3.54   0.773% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   37  13.16 +/- 1.83   1.029% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  14.67 +/- 1.49   0.728% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  16.34 +/- 4.23   0.717% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    SER   13  15.69 +/- 3.37   1.164% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  16.67 +/- 2.21   0.614% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  14.93 +/- 1.35   0.627% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   13  18.37 +/- 3.42   0.701% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   13  19.62 +/- 4.77   0.641% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.65 +/- 0.89   1.004% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  17.06 +/- 4.44   0.796% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  18.60 +/- 3.19   0.377% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.88, residual support = 34.1:
    * O T HA    THR   46 - HB    THR   46   2.49 +/- 0.11  96.429% * 98.0777% (1.00  10.0 10.00   2.88  34.07) =  99.996%  kept
          HA    PRO   58 - HB    THR   46  12.96 +/- 3.92   1.680% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   37 - HB    THR   46  25.98 +/- 1.93   0.094% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   13 - HB    THR   46  25.73 +/- 3.94   0.119% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    THR   46  20.36 +/- 6.42   0.453% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  12.88 +/- 1.25   0.785% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  23.30 +/- 5.16   0.191% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.81 +/- 1.67   0.248% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.02  95.788% * 99.5878% (1.00  10.0 10.00   3.00  34.07) =  99.996%  kept
          QG1   VAL   43 - HB    THR   46   9.20 +/- 1.24   1.593% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB    THR   46  14.06 +/- 5.71   1.320% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    THR   46  15.87 +/- 4.40   0.445% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.83 +/- 1.74   0.347% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  16.77 +/- 2.50   0.277% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  18.29 +/- 3.21   0.229% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T HA    THR   46 - QG2   THR   46   2.95 +/- 0.33  89.595% * 98.0777% (1.00  10.0 10.00   3.00  34.07) =  99.987%  kept
        T HA    SER   37 - QG2   THR   46  20.73 +/- 1.31   0.296% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HA    SER   13 - QG2   THR   46  20.52 +/- 3.29   0.393% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    PRO   58 - QG2   THR   46  10.75 +/- 3.27   4.191% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   42 - QG2   THR   46  10.24 +/- 1.09   2.848% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QG2   THR   46  16.22 +/- 5.33   1.255% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG2   THR   46  15.02 +/- 1.35   0.845% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  18.58 +/- 4.29   0.577% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.02  98.270% * 99.8459% (1.00  10.0 10.00   3.00  34.07) =  99.999%  kept
          HA    LYS+ 112 - QG2   THR   46  10.55 +/- 2.20   1.361% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QG2   THR   46  15.73 +/- 2.76   0.368% *  0.0895% (0.90   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 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 = 10.7:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.01  97.769% * 99.0048% (0.95  10.0 10.00   2.00  10.75) =  99.994%  kept
        T QG1   VAL   42 - HA    ALA   47  12.10 +/- 1.13   0.596% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HA    ALA   47  13.66 +/- 3.72   0.923% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HA    ALA   47  11.97 +/- 1.99   0.712% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.936, support = 2.01, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.01  67.573% * 89.8758% (0.95  10.0 10.00   2.00  10.75) =  98.151%  kept
          HA    CYS   50 - QB    ALA   47   4.22 +/- 1.16  16.239% *  5.3307% (0.42   1.0  1.00   2.65   6.65) =   1.399%  kept
          HA    TRP   49 - QB    ALA   47   4.65 +/- 0.33   7.097% *  3.8098% (0.26   1.0  1.00   3.05  15.59) =   0.437%  kept
          HA    VAL  108 - QB    ALA   47  10.42 +/- 3.06   3.776% *  0.0881% (0.93   1.0  1.00   0.02   0.02) =   0.005%
        T HA    ALA   47 - QG1   VAL   42  12.10 +/- 1.13   0.415% *  0.6884% (0.72   1.0 10.00   0.02   0.02) =   0.005%
          HA1   GLY  109 - QB    ALA   47  11.42 +/- 3.51   2.564% *  0.0369% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  108 - QG1   VAL   42   9.97 +/- 1.14   0.761% *  0.0675% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QG1   VAL   42  13.20 +/- 1.20   0.310% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.94 +/- 1.54   0.279% *  0.0309% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  12.17 +/- 1.96   0.495% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  16.58 +/- 4.93   0.293% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  15.93 +/- 1.70   0.197% *  0.0191% (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 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 = 9.17:
    * O T QB    SER   48 - HA    SER   48   2.29 +/- 0.10  75.529% * 96.0221% (1.00  10.0 10.00   1.70   9.18) =  99.956%  kept
        T QB    SER   85 - HB2   SER   82   5.34 +/- 0.74   6.890% *  0.2561% (0.27   1.0 10.00   0.02   2.88) =   0.024%
          HA2   GLY   51 - HA    SER   48   8.77 +/- 1.85   3.539% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QB    SER   85 - HA    SER   48  15.68 +/- 3.31   0.411% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T QB    SER   48 - HB2   SER   82  16.40 +/- 3.06   0.451% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.003%
        T QB    SER   48 - HA    VAL   70  19.51 +/- 3.78   0.813% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QB    SER  117 - HA    SER   48  18.48 +/- 2.27   0.188% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA2   GLY   16 - HA    SER   48  26.60 +/- 7.41   0.114% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   48  12.49 +/- 1.46   0.613% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    SER   48  16.49 +/- 5.37   0.953% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    VAL   70  17.15 +/- 3.20   0.273% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HB2   SER   82  24.40 +/- 3.11   0.129% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70   9.44 +/- 1.65   1.681% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  13.98 +/- 5.62   1.212% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  10.79 +/- 2.86   4.022% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  21.49 +/- 1.64   0.098% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.12 +/- 3.22   0.861% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  15.08 +/- 1.65   0.306% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  17.99 +/- 5.07   0.488% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  23.27 +/- 3.71   0.104% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  17.49 +/- 4.94   0.377% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  24.55 +/- 3.46   0.079% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.43 +/- 1.87   0.248% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  28.83 +/- 8.90   0.138% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  24.56 +/- 3.15   0.080% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  22.66 +/- 3.74   0.111% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  22.97 +/- 3.95   0.116% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  29.83 +/- 3.37   0.043% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  30.64 +/- 3.01   0.039% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.19 +/- 2.57   0.094% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 4.11, residual support = 81.3:
    * O T HB2   TRP   49 - HA    TRP   49   2.49 +/- 0.19  82.093% * 50.9151% (1.00  10.0 10.00   4.23  92.42) =  87.230%  kept
        T HB2   TRP   49 - HA    CYS   50   5.00 +/- 0.50  12.737% * 47.9899% (0.94   1.0 10.00   3.26   5.25) =  12.756%  kept
        T HA2   GLY  109 - HA    TRP   49  17.08 +/- 4.92   0.740% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T HA2   GLY  109 - HA    CYS   50  15.03 +/- 3.34   0.673% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE  119 - HA    CYS   50  17.31 +/- 3.47   0.457% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  18.58 +/- 3.44   0.404% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  15.93 +/- 2.69   0.406% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  16.10 +/- 2.18   0.371% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  20.44 +/- 3.60   0.235% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  21.64 +/- 3.64   0.216% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  14.80 +/- 3.13   1.162% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.98 +/- 2.86   0.506% *  0.0069% (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 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 4.16, residual support = 85.5:
    * O T HB3   TRP   49 - HA    TRP   49   2.47 +/- 0.19  89.890% * 51.4295% (0.84  10.0 10.00   4.23  92.42) =  92.025%  kept
        T HB3   TRP   49 - HA    CYS   50   5.81 +/- 0.35   8.263% * 48.4748% (0.79   1.0 10.00   3.36   5.25) =   7.973%  kept
          HB3   PHE   59 - HA    CYS   50  12.17 +/- 1.77   0.997% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    TRP   49  15.47 +/- 2.45   0.850% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 4.11, residual support = 81.3:
    * O T HA    TRP   49 - HB2   TRP   49   2.49 +/- 0.19  81.405% * 51.0809% (1.00  10.0 10.00   4.23  92.42) =  87.191%  kept
        T HA    CYS   50 - HB2   TRP   49   5.00 +/- 0.50  12.627% * 48.3205% (0.95   1.0 10.00   3.26   5.25) =  12.794%  kept
        T HA1   GLY  109 - HB2   TRP   49  16.50 +/- 4.95   1.262% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.013%
          HA    ALA   47 - HB2   TRP   49   7.13 +/- 0.29   3.592% *  0.0142% (0.28   1.0  1.00   0.02  15.59) =   0.001%
          HA    CYS   21 - HB2   TRP   49  23.07 +/- 6.57   0.223% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.43 +/- 3.92   0.730% *  0.0101% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  28.23 +/- 4.22   0.160% *  0.0330% (0.65   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 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 = 92.4:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.514% * 99.9042% (0.84  10.0 10.00   3.12  92.42) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  15.42 +/- 2.82   0.486% *  0.0958% (0.80   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 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.832, support = 4.16, residual support = 85.5:
    * O T HA    TRP   49 - HB3   TRP   49   2.47 +/- 0.19  83.669% * 51.3085% (0.84  10.0 10.00   4.23  92.42) =  92.013%  kept
        T HA    CYS   50 - HB3   TRP   49   5.81 +/- 0.35   7.673% * 48.5358% (0.79   1.0 10.00   3.36   5.25) =   7.983%  kept
          HA    ALA   47 - HB3   TRP   49   6.34 +/- 0.54   5.997% *  0.0143% (0.23   1.0  1.00   0.02  15.59) =   0.002%
          HA1   GLY  109 - HB3   TRP   49  16.50 +/- 5.11   1.618% *  0.0495% (0.81   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HB3   TRP   49  22.89 +/- 6.94   0.247% *  0.0485% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.31 +/- 4.02   0.683% *  0.0102% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  27.78 +/- 4.10   0.113% *  0.0332% (0.54   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 92.4:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.043% * 99.6151% (0.84  10.0 10.00   3.12  92.42) =  99.999%  kept
          HA2   GLY  109 - HB3   TRP   49  16.69 +/- 5.02   0.416% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  15.73 +/- 2.26   0.174% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  20.73 +/- 4.03   0.100% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  21.73 +/- 3.78   0.076% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  16.30 +/- 2.88   0.191% *  0.0135% (0.11   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 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 1.87, residual support = 7.13:
    * O T QB    CYS   50 - HA    CYS   50   2.30 +/- 0.16  79.071% * 51.3514% (1.00  10.0 10.00   1.71   7.39) =  87.803%  kept
        T QB    CYS   50 - HA    TRP   49   4.53 +/- 0.39  11.647% * 48.4012% (0.94   1.0 10.00   3.06   5.25) =  12.190%  kept
          QE    LYS+  74 - HA    CYS   50  11.47 +/- 3.49   2.099% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HA    CYS   50  13.76 +/- 4.74   2.618% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    TRP   49  12.80 +/- 3.71   0.906% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HA    TRP   49  25.18 +/- 5.92   0.802% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    TRP   49  13.58 +/- 4.92   1.822% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HA    CYS   50  23.01 +/- 4.97   0.691% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HA    CYS   50  18.11 +/- 2.38   0.193% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.25 +/- 2.46   0.151% *  0.0165% (0.32   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 1.87, residual support = 7.13:
    * O T HA    CYS   50 - QB    CYS   50   2.30 +/- 0.16  79.829% * 50.2004% (1.00  10.0 10.00   1.71   7.39) =  87.565%  kept
        T HA    TRP   49 - QB    CYS   50   4.53 +/- 0.39  11.760% * 47.4875% (0.95   1.0 10.00   3.06   5.25) =  12.203%  kept
          HA    ALA   47 - QB    CYS   50   6.01 +/- 0.63   4.823% *  2.1822% (0.45   1.0  1.00   1.94   6.65) =   0.230%  kept
          HA1   GLY  109 - QB    CYS   50  13.99 +/- 3.41   0.748% *  0.0501% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QB    CYS   50  13.34 +/- 3.08   1.964% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QB    CYS   50  18.08 +/- 5.76   0.774% *  0.0402% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QB    CYS   50  23.65 +/- 3.15   0.102% *  0.0225% (0.45   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 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.04, residual support = 223.0:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  80.813% * 99.8323% (1.00  10.0 10.00   7.04 223.01) =  99.990%  kept
          HA    LYS+ 111 - HD2   PRO   52  12.37 +/- 3.79   7.634% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   91 - HD2   PRO   52  13.22 +/- 4.15   6.871% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HD2   PRO   52  16.28 +/- 3.38   4.083% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HD2   PRO   52  23.31 +/- 3.73   0.598% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 223.0:
    * O T HB2   PRO   52 - HD2   PRO   52   3.96 +/- 0.09  94.902% * 99.5699% (1.00  10.0 10.00   6.59 223.01) =  99.991%  kept
        T HG2   MET   96 - HD2   PRO   52  18.75 +/- 3.14   1.761% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ASP-  62 - HD2   PRO   52  15.32 +/- 2.91   3.337% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.35 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 = 0.998, support = 6.63, residual support = 221.9:
    * O T HB3   PRO   52 - HD2   PRO   52   3.93 +/- 0.09  57.306% * 96.3060% (1.00  10.0 10.00   6.66 223.01) =  99.481%  kept
          HG2   ARG+  54 - HD2   PRO   52   7.15 +/- 0.74  10.436% *  1.9484% (0.38   1.0  1.00   1.08   1.97) =   0.367%  kept
        T HG    LEU  123 - HD2   PRO   52  19.90 +/- 4.82   7.675% *  0.9631% (1.00   1.0 10.00   0.02   0.02) =   0.133%  kept
          HG2   PRO   93 - HD2   PRO   52   9.97 +/- 3.97  11.472% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.006%
        T QB    LYS+  81 - HD2   PRO   52  18.16 +/- 4.12   1.169% *  0.1486% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HD2   PRO   52  16.82 +/- 3.79   2.838% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HD2   PRO   52  20.45 +/- 4.12   3.372% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HD2   PRO   52  22.53 +/- 3.70   0.694% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HD2   PRO   52  21.96 +/- 5.68   1.183% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   PRO   52  26.69 +/- 2.93   0.212% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HD2   PRO   52  23.83 +/- 4.34   1.062% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   PRO   52  16.47 +/- 4.09   1.676% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  22.82 +/- 2.64   0.353% *  0.0736% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.03 +/- 3.93   0.552% *  0.0149% (0.15   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 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.0:
    * O T HG2   PRO   52 - HD2   PRO   52   2.36 +/- 0.17  93.479% * 99.6094% (1.00  10.0 10.00   6.44 223.01) =  99.995%  kept
          HB2   GLU-  79 - HD2   PRO   52  17.79 +/- 5.26   3.422% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG2   MET   92 - HD2   PRO   52  12.29 +/- 3.50   1.551% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  13.26 +/- 2.51   0.968% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   52  28.78 +/- 4.68   0.083% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.55 +/- 1.29   0.456% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.58 +/- 3.84   0.043% *  0.0644% (0.65   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 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 223.0:
    * O T HG3   PRO   52 - HD2   PRO   52   2.81 +/- 0.17  91.094% * 98.5427% (1.00  10.0 10.00   6.44 223.01) =  99.984%  kept
        T HG2   PRO   58 - HD2   PRO   52  13.04 +/- 1.59   1.166% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.013%
          HB2   PRO   93 - HD2   PRO   52  10.02 +/- 3.82   6.278% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   68 - HD2   PRO   52  22.80 +/- 5.61   0.801% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  27.26 +/- 2.95   0.111% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  32.86 +/- 7.20   0.146% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  29.03 +/- 4.28   0.107% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  22.64 +/- 4.71   0.298% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 223.0:
    * O T HB2   PRO   52 - HA    PRO   52   2.47 +/- 0.21  98.943% * 99.5699% (1.00  10.0 10.00   5.23 223.01) =  99.999%  kept
        T HG2   MET   96 - HA    PRO   52  19.78 +/- 2.65   0.250% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  14.64 +/- 2.53   0.808% *  0.0564% (0.57   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 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.18, residual support = 222.8:
    * O T HB3   PRO   52 - HA    PRO   52   2.56 +/- 0.21  74.690% * 98.8795% (1.00  10.0 10.00   6.19 223.01) =  99.894%  kept
          HG2   ARG+  54 - HA    PRO   52   5.89 +/- 1.27  16.822% *  0.4401% (0.38   1.0  1.00   0.24   1.97) =   0.100%  kept
          HG    LEU  123 - HA    PRO   52  18.45 +/- 4.27   1.489% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HA    PRO   52  10.82 +/- 4.80   4.036% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HA    PRO   52  20.60 +/- 4.01   0.266% *  0.1526% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    PRO   52  16.69 +/- 3.44   0.518% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.26 +/- 3.99   0.833% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  21.87 +/- 5.38   0.316% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.35 +/- 3.27   0.149% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.65 +/- 2.29   0.110% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.49 +/- 3.82   0.187% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  19.04 +/- 4.07   0.365% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.45 +/- 3.67   0.153% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.31 +/- 2.87   0.067% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.0:
    * O T HG2   PRO   52 - HA    PRO   52   3.96 +/- 0.03  86.671% * 99.6094% (1.00  10.0 10.00   5.98 223.01) =  99.991%  kept
          HG2   MET   92 - HA    PRO   52  13.93 +/- 3.88   4.654% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HA    PRO   52  12.55 +/- 2.18   3.426% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    PRO   52  20.21 +/- 5.12   2.156% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HA    PRO   52  29.93 +/- 5.33   0.416% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  13.18 +/- 1.05   2.526% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  34.19 +/- 3.64   0.150% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.26 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.9:
    * O T HG3   PRO   52 - HA    PRO   52   3.89 +/- 0.03  80.671% * 98.7160% (1.00  10.0 10.00   5.95 223.01) =  99.948%  kept
        T HG2   PRO   58 - HA    PRO   52  11.41 +/- 1.35   3.661% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.045%
          HB2   PRO   93 - HA    PRO   52  11.24 +/- 4.46  12.914% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PRO   68 - HA    PRO   52  22.69 +/- 5.36   1.035% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  32.82 +/- 6.94   0.274% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   52  29.17 +/- 3.98   0.243% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.99 +/- 5.33   0.952% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.01 +/- 3.05   0.250% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.66 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.04, residual support = 223.0:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  84.819% * 99.4673% (1.00  10.0 10.00   7.04 223.01) =  99.989%  kept
          HA    SER   48 - HA    PRO   52  10.83 +/- 2.32   8.619% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.007%
          HA    ALA   88 - HA    PRO   52  21.42 +/- 3.64   0.758% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    PRO   52  18.29 +/- 3.18   1.231% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    PRO   52  18.71 +/- 3.31   1.933% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  21.55 +/- 2.75   0.630% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.06 +/- 3.29   0.201% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  27.36 +/- 4.81   0.360% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  22.81 +/- 4.21   0.628% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  25.21 +/- 2.94   0.395% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.11 +/- 3.77   0.243% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.83 +/- 3.11   0.182% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.65 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 223.0:
    * O T HA    PRO   52 - HB2   PRO   52   2.47 +/- 0.21  90.169% * 99.4915% (1.00  10.0 10.00   5.23 223.01) =  99.996%  kept
          HA    LYS+ 111 - HB2   PRO   52  11.11 +/- 4.93   3.192% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HA    PRO   52 - HG2   MET   96  19.78 +/- 2.65   0.228% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB2   PRO   52  14.98 +/- 4.85   1.616% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   MET   96   8.93 +/- 1.37   2.452% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  15.52 +/- 3.65   0.596% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  14.69 +/- 3.10   0.625% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  24.22 +/- 4.05   0.155% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.79 +/- 1.87   0.419% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.12 +/- 1.14   0.549% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 0.998, support = 6.45, residual support = 222.3:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  74.633% * 96.7860% (1.00  10.0 10.00   6.47 223.01) =  99.691%  kept
          HG12  ILE  103 - HG2   MET   96   4.59 +/- 1.54  10.710% *  2.0466% (0.26   1.0  1.00   1.61   5.99) =   0.303%  kept
          HG2   PRO   93 - HB2   PRO   52  10.31 +/- 5.70   4.470% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  123 - HB2   PRO   52  18.51 +/- 4.54   1.021% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PRO   52   7.90 +/- 1.18   1.271% *  0.0363% (0.38   1.0  1.00   0.02   1.97) =   0.001%
        T HB3   PRO   52 - HG2   MET   96  18.78 +/- 3.47   0.100% *  0.2843% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   6.42 +/- 1.32   2.306% *  0.0117% (0.12   1.0  1.00   0.02   5.99) =   0.000%
          HB    VAL   41 - HG2   MET   96   8.45 +/- 1.68   1.226% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  20.18 +/- 4.37   0.085% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  19.77 +/- 4.52   0.338% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.17 +/- 1.39   1.046% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  17.33 +/- 3.26   0.143% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.10 +/- 2.19   0.765% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.63 +/- 4.26   0.070% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.41 +/- 1.68   0.120% *  0.0439% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.69 +/- 4.78   0.105% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  18.31 +/- 4.78   0.190% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  22.36 +/- 5.30   0.082% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.32 +/- 3.35   0.042% *  0.0740% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.15 +/- 2.81   0.162% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.53 +/- 1.26   0.544% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  19.75 +/- 2.78   0.062% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  17.08 +/- 2.69   0.101% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.79 +/- 4.50   0.086% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  16.29 +/- 2.28   0.114% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  15.40 +/- 1.55   0.121% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.49 +/- 2.59   0.063% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  27.26 +/- 3.39   0.023% *  0.0241% (0.25   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 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.0:
    * O T HG2   PRO   52 - HB2   PRO   52   2.69 +/- 0.31  87.430% * 99.2053% (1.00  10.0 10.00   6.18 223.01) =  99.991%  kept
          HG2   MET   92 - HB2   PRO   52  13.22 +/- 4.71   4.760% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   PRO   52 - HG2   MET   96  18.18 +/- 3.73   0.712% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HB2   PRO   52  12.06 +/- 2.99   1.447% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB2   PRO   52  20.01 +/- 5.41   0.981% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HG2   MET   96  12.62 +/- 2.14   1.359% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  13.31 +/- 1.77   0.959% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.49 +/- 1.80   0.551% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  14.02 +/- 1.34   0.691% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.99 +/- 5.32   0.093% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  22.33 +/- 3.02   0.188% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.71 +/- 1.98   0.209% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  34.10 +/- 4.27   0.052% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  18.23 +/- 3.28   0.566% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.0:
    * O T HG3   PRO   52 - HB2   PRO   52   2.51 +/- 0.25  76.870% * 98.0617% (1.00  10.0 10.00   6.16 223.01) =  99.977%  kept
        T HG2   PRO   58 - HB2   PRO   52  12.21 +/- 1.68   0.949% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.012%
          HB2   PRO   93 - HB2   PRO   52  10.81 +/- 5.46  18.366% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.007%
        T HG2   PRO   58 - HG2   MET   96  17.96 +/- 2.87   0.334% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG2   MET   96  19.13 +/- 3.94   0.299% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HG2   MET   96  23.39 +/- 5.02   0.360% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  23.23 +/- 5.24   0.245% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.08 +/- 1.70   1.006% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  33.43 +/- 7.06   0.064% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.57 +/- 3.82   0.059% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  28.96 +/- 5.95   0.139% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  24.00 +/- 5.27   0.219% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  18.06 +/- 1.85   0.239% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  16.47 +/- 2.94   0.403% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  16.87 +/- 2.65   0.378% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.86 +/- 3.34   0.071% *  0.0194% (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 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 223.0:
    * O T HD2   PRO   52 - HB2   PRO   52   3.96 +/- 0.09  62.481% * 99.0230% (1.00  10.0 10.00   6.59 223.01) =  99.976%  kept
          HA    SER   48 - HB2   PRO   52  11.11 +/- 2.61   7.652% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.009%
        T HD2   PRO   52 - HG2   MET   96  18.75 +/- 3.14   1.171% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.006%
          HA2   GLY   16 - HG2   MET   96  22.09 +/- 6.69   8.798% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB2   PRO   52  20.59 +/- 4.40   0.685% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG2   MET   96  12.74 +/- 1.63   2.220% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  18.97 +/- 3.58   0.851% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PRO   52  18.64 +/- 3.61   2.369% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   MET   96  16.03 +/- 3.46   2.031% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   MET   96  17.59 +/- 2.79   1.435% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  17.29 +/- 3.44   1.055% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  13.33 +/- 1.97   1.933% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  20.86 +/- 3.42   0.562% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  15.23 +/- 3.15   1.498% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.86 +/- 3.69   0.150% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  17.84 +/- 5.60   1.569% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  23.17 +/- 4.33   0.446% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  27.81 +/- 4.87   0.251% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  24.61 +/- 3.57   0.325% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  18.66 +/- 3.30   0.781% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  18.85 +/- 3.15   0.741% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  30.04 +/- 3.97   0.168% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  18.75 +/- 2.46   0.692% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.73 +/- 3.62   0.135% *  0.0153% (0.15   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 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.0:
    * O T HA    PRO   52 - HB3   PRO   52   2.56 +/- 0.21  88.775% * 99.6990% (1.00  10.0 10.00   6.19 223.01) =  99.996%  kept
          HA    LYS+ 111 - HB3   PRO   52  10.78 +/- 4.45   3.774% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB3   PRO   52  14.71 +/- 4.63   2.128% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - QB    LYS+  81  20.60 +/- 4.01   0.313% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  15.27 +/- 3.41   0.880% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  20.78 +/- 4.11   1.073% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.99 +/- 3.56   0.137% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  11.23 +/- 2.09   1.509% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  17.08 +/- 6.78   0.792% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  19.76 +/- 2.69   0.620% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.47, residual support = 223.0:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.222% * 99.4073% (1.00  10.0 10.00   6.47 223.01) =  99.999%  kept
        T HG2   MET   96 - HB3   PRO   52  18.78 +/- 3.47   0.132% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HB3   PRO   52  15.10 +/- 2.75   0.307% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  20.18 +/- 4.37   0.116% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.41 +/- 1.68   0.161% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  22.28 +/- 3.03   0.062% *  0.0065% (0.06   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 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 223.0:
    * O T HG2   PRO   52 - HB3   PRO   52   2.56 +/- 0.31  86.548% * 99.4355% (1.00  10.0 10.00   6.22 223.01) =  99.995%  kept
          HG2   MET   92 - HB3   PRO   52  12.92 +/- 4.38   2.433% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HB3   PRO   52  11.83 +/- 2.64   1.517% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB3   PRO   52  19.71 +/- 5.18   0.687% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - QB    LYS+  81  18.50 +/- 4.52   0.445% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    LYS+  81   7.16 +/- 0.48   4.557% *  0.0091% (0.09   1.0  1.00   0.02   1.28) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.72 +/- 5.00   0.149% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  18.74 +/- 8.62   0.982% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.80 +/- 1.36   0.653% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  19.22 +/- 3.42   0.921% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  13.97 +/- 2.29   0.820% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  33.89 +/- 3.80   0.046% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  24.05 +/- 3.55   0.129% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  25.76 +/- 3.99   0.113% *  0.0074% (0.07   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 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.999, support = 6.19, residual support = 222.9:
    * O T HG3   PRO   52 - HB3   PRO   52   2.61 +/- 0.25  79.322% * 98.1909% (1.00  10.0 10.00   6.19 223.01) =  99.941%  kept
        T HB2   PRO   93 - HB3   PRO   52  10.46 +/- 4.74  11.427% *  0.3031% (0.31   1.0 10.00   0.02   0.02) =   0.044%
        T HG2   PRO   58 - HB3   PRO   52  12.00 +/- 1.65   1.048% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   PRO   52 - QB    LYS+  81  19.00 +/- 4.47   0.491% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - QB    LYS+  81  23.69 +/- 3.28   0.170% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  23.01 +/- 5.42   0.442% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  33.28 +/- 6.73   0.099% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  13.23 +/- 8.44   5.060% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  29.39 +/- 3.77   0.076% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.74 +/- 4.84   0.192% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.44 +/- 2.42   0.806% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.65 +/- 2.95   0.082% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  26.01 +/- 6.36   0.142% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  30.03 +/- 6.22   0.137% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  19.57 +/- 5.75   0.382% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  23.87 +/- 2.83   0.124% *  0.0042% (0.04   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 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.996, support = 6.63, residual support = 221.8:
    * O T HD2   PRO   52 - HB3   PRO   52   3.93 +/- 0.09  39.905% * 95.8852% (1.00  10.0 10.00   6.66 223.01) =  99.428%  kept
          HB2   SER   82 - QB    LYS+  81   5.38 +/- 0.43  16.797% *  0.7373% (0.04   1.0  1.00   3.93  19.90) =   0.322%  kept
          HA    SER   48 - HB3   PRO   52  10.84 +/- 2.64   6.126% *  1.4702% (0.73   1.0  1.00   0.42   0.02) =   0.234%  kept
          QB    SER   85 - QB    LYS+  81   5.51 +/- 0.84  17.209% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB3   PRO   52  30.63 +/- 3.33   0.095% *  0.9070% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - QB    LYS+  81  18.16 +/- 4.12   0.755% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - QB    LYS+  81  14.01 +/- 3.62   8.517% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HB3   PRO   52  18.51 +/- 3.79   2.235% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB3   PRO   52  20.31 +/- 4.30   0.446% *  0.0885% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  22.05 +/- 5.72   0.375% *  0.1040% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QB    LYS+  81   9.05 +/- 1.16   3.627% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB3   PRO   52  18.67 +/- 3.07   0.520% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PRO   52  29.80 +/- 3.56   0.109% *  0.2391% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB3   PRO   52  20.64 +/- 3.33   0.357% *  0.0467% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  20.86 +/- 6.83   0.528% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.51 +/- 3.17   0.086% *  0.1479% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  27.62 +/- 5.18   0.165% *  0.0467% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  22.95 +/- 4.43   0.288% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  24.33 +/- 3.43   0.216% *  0.0327% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  23.64 +/- 4.95   0.253% *  0.0170% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  20.29 +/- 3.60   0.404% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  26.85 +/- 7.20   0.293% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  22.15 +/- 7.74   0.488% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.53 +/- 3.64   0.207% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.48 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.0:
    * O T HA    PRO   52 - HG2   PRO   52   3.96 +/- 0.03  72.395% * 99.8323% (1.00  10.0 10.00   5.98 223.01) =  99.982%  kept
          HA    LYS+ 111 - HG2   PRO   52  11.31 +/- 4.41  13.483% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.012%
          HA    ALA   91 - HG2   PRO   52  13.22 +/- 4.84  11.036% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL  107 - HG2   PRO   52  15.35 +/- 3.57   2.638% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   52  23.44 +/- 3.53   0.447% *  0.0525% (0.53   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 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.0:
    * O T HB2   PRO   52 - HG2   PRO   52   2.69 +/- 0.31  98.239% * 99.5699% (1.00  10.0 10.00   6.18 223.01) =  99.996%  kept
        T HG2   MET   96 - HG2   PRO   52  18.18 +/- 3.73   0.800% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HB2   ASP-  62 - HG2   PRO   52  15.48 +/- 2.82   0.962% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 222.9:
    * O T HB3   PRO   52 - HG2   PRO   52   2.56 +/- 0.31  67.529% * 99.2796% (1.00  10.0 10.00   6.22 223.01) =  99.972%  kept
          HG    LEU  123 - HG2   PRO   52  19.14 +/- 4.93  11.221% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.017%
          HG2   PRO   93 - HG2   PRO   52   9.50 +/- 4.82  13.857% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          HG2   ARG+  54 - HG2   PRO   52   8.43 +/- 0.92   2.106% *  0.0373% (0.38   1.0  1.00   0.02   1.97) =   0.001%
          HB3   ASP- 105 - HG2   PRO   52  19.62 +/- 4.45   1.744% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   PRO   52  18.50 +/- 4.52   0.353% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   52  17.16 +/- 3.32   0.735% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG2   PRO   52  21.87 +/- 4.27   0.282% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.04 +/- 4.84   0.463% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  16.56 +/- 4.70   0.895% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  22.18 +/- 5.47   0.351% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.55 +/- 3.41   0.142% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.33 +/- 4.43   0.246% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.68 +/- 3.04   0.074% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.0:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  93.940% * 98.7160% (1.00  10.0 10.00   5.97 223.01) =  99.995%  kept
        T HG2   PRO   58 - HG2   PRO   52  12.90 +/- 1.57   0.278% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HG2   PRO   52   9.76 +/- 4.69   5.426% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   68 - HG2   PRO   52  23.05 +/- 5.44   0.200% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  33.26 +/- 7.10   0.037% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  29.31 +/- 3.98   0.025% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  22.96 +/- 4.61   0.067% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  27.21 +/- 2.88   0.028% *  0.0195% (0.20   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.0:
    * O T HD2   PRO   52 - HG2   PRO   52   2.36 +/- 0.17  88.676% * 99.4673% (1.00  10.0 10.00   6.44 223.01) =  99.992%  kept
          HA    SER   48 - HG2   PRO   52   9.26 +/- 2.78   8.906% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.007%
          HA    ALA   88 - HG2   PRO   52  18.97 +/- 4.60   0.283% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  19.26 +/- 3.85   1.030% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  18.45 +/- 3.66   0.333% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  19.31 +/- 3.65   0.228% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  30.15 +/- 3.24   0.054% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  22.89 +/- 3.76   0.145% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  22.91 +/- 4.78   0.158% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  27.70 +/- 5.33   0.083% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  29.29 +/- 3.38   0.058% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.09 +/- 3.23   0.047% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.9:
    * O T HA    PRO   52 - HG3   PRO   52   3.89 +/- 0.03  65.020% * 98.8988% (1.00  10.0 10.00   5.95 223.01) =  99.945%  kept
        T HA    PRO   52 - HG2   PRO   58  11.41 +/- 1.35   2.941% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.037%
          HA    LYS+ 111 - HG3   PRO   52  12.03 +/- 4.63   8.387% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          HA    ALA   91 - HG3   PRO   52  13.73 +/- 5.02   8.197% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HG2   PRO   58  12.22 +/- 1.91   3.268% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HG2   PRO   58  13.43 +/- 3.20   8.611% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  107 - HG3   PRO   52  16.24 +/- 3.87   1.840% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   58  21.37 +/- 3.94   0.742% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  24.34 +/- 3.96   0.382% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  19.96 +/- 3.18   0.611% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.17 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.0:
    * O T HB2   PRO   52 - HG3   PRO   52   2.51 +/- 0.25  90.858% * 98.4337% (1.00  10.0 10.00   6.16 223.01) =  99.983%  kept
        T HB2   PRO   52 - HG2   PRO   58  12.21 +/- 1.68   1.160% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.010%
          HB2   ASP-  62 - HG2   PRO   58   6.73 +/- 1.31   6.261% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   MET   96 - HG3   PRO   52  19.13 +/- 3.94   0.360% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG2   PRO   58  17.96 +/- 2.87   0.392% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  16.54 +/- 3.21   0.970% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 6.19, residual support = 222.8:
    * O T HB3   PRO   52 - HG3   PRO   52   2.61 +/- 0.25  65.462% * 97.4419% (1.00  10.0 10.00   6.19 223.01) =  99.922%  kept
        T HG2   PRO   93 - HG3   PRO   52  10.25 +/- 5.23   8.327% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.039%
          HG    LEU  123 - HG3   PRO   52  20.10 +/- 5.12   8.618% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.013%
        T HB3   PRO   52 - HG2   PRO   58  12.00 +/- 1.65   0.860% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   PRO   93 - HG2   PRO   58  13.59 +/- 3.24   0.868% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  123 - HG2   PRO   58  10.60 +/- 3.22   2.189% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HG2   PRO   58   9.94 +/- 2.06   2.917% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.87 +/- 0.95   2.267% *  0.0366% (0.38   1.0  1.00   0.02   1.97) =   0.001%
        T QB    LYS+  81 - HG3   PRO   52  19.00 +/- 4.47   0.408% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  12.06 +/- 2.57   1.368% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG3   PRO   52  20.64 +/- 4.59   1.226% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG3   PRO   52  22.80 +/- 4.56   0.337% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  15.23 +/- 3.86   1.009% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  23.92 +/- 5.23   0.655% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  18.04 +/- 3.79   0.364% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  16.86 +/- 5.03   0.969% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.69 +/- 3.28   0.140% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  20.59 +/- 2.79   0.181% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  23.15 +/- 5.73   0.243% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.29 +/- 2.63   0.299% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.60 +/- 3.50   0.139% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  19.91 +/- 2.08   0.167% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.13 +/- 4.81   0.389% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  21.69 +/- 3.21   0.165% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.30 +/- 2.79   0.108% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  23.58 +/- 3.06   0.114% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.55 +/- 3.36   0.071% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.04 +/- 3.24   0.142% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 5.9, residual support = 219.7:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  70.748% * 86.8129% (1.00  10.0 10.00   5.97 223.01) =  95.577%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.53 +/- 0.30  26.182% * 10.8440% (0.12  10.0 10.00   4.26 147.69) =   4.418%  kept
        T HG2   PRO   52 - HG2   PRO   58  12.90 +/- 1.57   0.210% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          HG2   MET   92 - HG3   PRO   52  12.45 +/- 4.74   1.200% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HG2   PRO   58  10.56 +/- 2.04   0.630% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HG3   PRO   52  19.07 +/- 5.49   0.337% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.99 +/- 3.05   0.333% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.53 +/- 1.45   0.113% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  29.13 +/- 3.39   0.019% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.50 +/- 4.40   0.011% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  17.53 +/- 3.30   0.123% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  22.44 +/- 3.27   0.041% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.35 +/- 5.37   0.030% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.79 +/- 5.06   0.023% *  0.0821% (0.95   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 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 223.0:
    * O T HD2   PRO   52 - HG3   PRO   52   2.81 +/- 0.17  82.627% * 96.1754% (1.00  10.0 10.00   6.44 223.01) =  99.977%  kept
        T HD2   PRO   52 - HG2   PRO   58  13.04 +/- 1.59   1.057% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.010%
          HA    SER   48 - HG3   PRO   52   9.83 +/- 2.55   7.618% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.007%
        T HA    GLN   32 - HG2   PRO   58  26.92 +/- 3.10   0.112% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   PRO   52  31.10 +/- 3.83   0.069% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   PRO   58  16.22 +/- 3.60   0.732% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  13.34 +/- 1.70   0.917% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   PRO   52  19.46 +/- 4.78   0.425% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  10.94 +/- 2.44   2.258% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  26.58 +/- 3.75   0.138% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  20.23 +/- 4.07   1.231% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  19.51 +/- 3.82   0.405% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  30.17 +/- 3.91   0.078% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  19.77 +/- 3.77   0.340% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  21.90 +/- 4.73   0.413% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  27.20 +/- 2.82   0.110% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  24.60 +/- 3.27   0.166% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  18.23 +/- 3.41   0.493% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  32.07 +/- 3.68   0.062% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  23.55 +/- 3.81   0.182% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  23.76 +/- 4.96   0.210% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  28.53 +/- 5.45   0.118% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  24.38 +/- 2.24   0.142% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.45 +/- 2.56   0.099% *  0.0266% (0.28   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 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 2.96, residual support = 44.3:
    * O T HB2   CYS   53 - HA    CYS   53   2.84 +/- 0.19  82.412% * 89.5580% (1.00  10.0 10.00   2.96  44.17) =  98.890%  kept
          HD3   PRO   52 - HA    CYS   53   6.21 +/- 0.09   8.175% * 10.0722% (0.69   1.0  1.00   3.27  55.65) =   1.103%  kept
          HD2   PRO   58 - HA    CYS   53   7.33 +/- 1.55   8.642% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   SER   82 - HA    CYS   53  22.75 +/- 3.30   0.226% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HA    CYS   53  20.14 +/- 2.50   0.268% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  24.41 +/- 2.76   0.152% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.24 +/- 3.14   0.125% *  0.0368% (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 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.37, residual support = 43.4:
    * O T HB3   CYS   53 - HA    CYS   53   2.61 +/- 0.27  67.776% * 79.1665% (1.00  10.0 10.00   3.39  44.17) =  97.015%  kept
          HD2   ARG+  54 - HA    CYS   53   7.05 +/- 1.03   5.718% * 16.6812% (0.99   1.0  1.00   4.25  31.55) =   1.725%  kept
          QB    PHE   55 - HA    CYS   53   4.34 +/- 0.44  17.465% *  3.9564% (0.87   1.0  1.00   1.15   0.02) =   1.249%  kept
          HD3   PRO   93 - HA    CYS   53  10.02 +/- 3.75   6.010% *  0.0749% (0.95   1.0  1.00   0.02   0.02) =   0.008%
          HB2   PHE   59 - HA    CYS   53   8.59 +/- 1.48   2.617% *  0.0480% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    CYS   53  17.54 +/- 4.03   0.414% *  0.0731% (0.92   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.2:
    * O T HA    CYS   53 - HB2   CYS   53   2.84 +/- 0.19  97.489% * 98.9901% (1.00  10.0 10.00   2.96  44.17) =  99.997%  kept
        T HA    GLU-  25 - HB2   CYS   53  24.98 +/- 3.81   0.194% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HB2   CYS   53  21.39 +/- 3.55   0.321% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYS   53  19.81 +/- 4.14   0.550% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   CYS   53  14.41 +/- 2.36   1.250% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  24.71 +/- 3.55   0.196% *  0.0482% (0.49   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 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 = 3.47, residual support = 44.1:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  92.644% * 81.3400% (1.00  10.0 10.00   3.46  44.17) =  99.515%  kept
          HD2   ARG+  54 - HB2   CYS   53   6.91 +/- 0.95   1.975% * 18.3880% (0.99   1.0  1.00   4.56  31.55) =   0.480%  kept
          HD3   PRO   93 - HB2   CYS   53   9.78 +/- 3.43   2.369% *  0.0769% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - HB2   CYS   53   6.29 +/- 0.29   2.051% *  0.0706% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   CYS   53  10.08 +/- 1.44   0.653% *  0.0493% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  17.57 +/- 4.34   0.307% *  0.0751% (0.92   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 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.39, residual support = 44.2:
    * O T HA    CYS   53 - HB3   CYS   53   2.61 +/- 0.27  97.338% * 99.7562% (1.00  10.0 10.00   3.39  44.17) =  99.999%  kept
          HA    ILE   19 - HB3   CYS   53  19.54 +/- 4.15   0.500% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  14.04 +/- 2.81   1.601% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  24.89 +/- 3.62   0.163% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  24.57 +/- 3.45   0.162% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  21.35 +/- 3.39   0.235% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.46, residual support = 44.2:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  88.987% * 85.7399% (1.00  10.0 10.00   3.46  44.17) =  99.503%  kept
          HD3   PRO   52 - HB3   CYS   53   6.27 +/- 0.72   2.240% * 13.0735% (0.69   1.0  1.00   4.44  55.65) =   0.382%  kept
          HD2   PRO   58 - HB3   CYS   53   8.24 +/- 2.04   8.539% *  1.0304% (0.53   1.0  1.00   0.46   0.02) =   0.115%  kept
          HA    VAL   83 - HB3   CYS   53  19.25 +/- 2.70   0.083% *  0.0384% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  24.14 +/- 3.07   0.046% *  0.0655% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  21.64 +/- 3.52   0.075% *  0.0170% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.23 +/- 3.01   0.031% *  0.0352% (0.41   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 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 = 5.64, residual support = 169.2:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.80 +/- 0.15  77.491% * 98.6035% (1.00  10.0 10.00   5.64 169.22) =  99.985%  kept
        T HB2   ARG+  54 - HA    LEU  115  13.88 +/- 1.98   0.887% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HA    LEU  115   6.40 +/- 0.94   9.360% *  0.0263% (0.27   1.0  1.00   0.02   8.96) =   0.003%
          HB2   PRO   93 - HA    ARG+  54  11.10 +/- 3.36   2.751% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HA    ARG+  54  13.12 +/- 2.44   1.005% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   9.46 +/- 1.93   2.795% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    LEU  115  10.61 +/- 2.07   2.359% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ARG+  54  17.87 +/- 1.97   0.333% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  29.83 +/- 6.94   0.179% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  26.41 +/- 4.58   0.149% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  18.98 +/- 4.52   0.755% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.15 +/- 3.71   0.189% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  23.13 +/- 4.16   0.195% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  20.38 +/- 3.30   0.334% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.78 +/- 4.23   0.143% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  28.96 +/- 2.58   0.075% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  20.73 +/- 3.35   0.343% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  30.53 +/- 6.47   0.106% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.57 +/- 2.66   0.177% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.51 +/- 2.22   0.375% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.992, support = 5.63, residual support = 167.2:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.57 +/- 0.60  63.582% * 82.5317% (1.00  10.0 10.00   5.69 169.22) =  98.820%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.59 +/- 0.33   3.770% * 13.4627% (0.38   1.0 10.00   0.87   1.97) =   0.956%  kept
          HB    ILE   56 - HA    ARG+  54   6.67 +/- 0.70   7.764% *  1.0247% (0.41   1.0  1.00   0.60   0.12) =   0.150%  kept
        T HG3   PRO   68 - HA    ARG+  54  18.59 +/- 4.99   2.694% *  0.8180% (0.99   1.0 10.00   0.02   0.02) =   0.042%
        T QB    LYS+  81 - HA    LEU  115  20.91 +/- 3.64   2.517% *  0.2203% (0.27   1.0 10.00   0.02   0.02) =   0.010%
        T QB    LYS+  81 - HA    ARG+  54  20.66 +/- 3.89   0.477% *  0.7159% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   ARG+  54 - HA    LEU  115  14.25 +/- 2.42   0.787% *  0.2540% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HA    ARG+  54  19.04 +/- 3.73   1.371% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  115   9.74 +/- 2.96   3.707% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   52 - HA    LEU  115  12.47 +/- 2.05   0.933% *  0.0953% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LEU  115  17.55 +/- 2.79   0.286% *  0.2517% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ARG+  54  17.13 +/- 2.24   0.756% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  115   8.97 +/- 1.88   2.406% *  0.0212% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LEU  115   7.84 +/- 1.20   3.797% *  0.0104% (0.13   1.0  1.00   0.02   0.12) =   0.001%
          HG    LEU  123 - HA    ARG+  54  16.59 +/- 4.04   1.008% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ARG+  54  20.05 +/- 3.59   0.286% *  0.0762% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  23.92 +/- 2.79   0.214% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.18 +/- 1.51   1.455% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.58 +/- 2.60   0.437% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  25.15 +/- 2.76   0.125% *  0.0796% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  19.85 +/- 1.43   0.197% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.27 +/- 3.05   0.139% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.51 +/- 2.48   0.210% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  23.24 +/- 3.75   0.191% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.94 +/- 2.60   0.494% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  28.40 +/- 3.00   0.091% *  0.0229% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  24.15 +/- 2.53   0.111% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  20.34 +/- 3.41   0.194% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.11 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.987, support = 5.46, residual support = 147.4:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.82 +/- 0.75  34.672% * 72.4022% (1.00 10.00   5.68 169.22) =  85.321%  kept
          HB3   CYS   53 - HA    ARG+  54   4.91 +/- 0.56  17.493% * 14.8757% (0.99  1.00   4.15  31.55) =   8.844%  kept
          QB    PHE   55 - HA    ARG+  54   5.17 +/- 0.13  13.953% * 12.2426% (0.80  1.00   4.22   3.84) =   5.806%  kept
          HB2   PHE   59 - HA    LEU  115   6.09 +/- 1.86  19.180% *  0.0117% (0.16  1.00   0.02  28.54) =   0.008%
          HB2   PHE   59 - HA    ARG+  54   9.21 +/- 1.45   3.804% *  0.0381% (0.53  1.00   0.02   0.02) =   0.005%
        T HD2   ARG+  54 - HA    LEU  115  15.17 +/- 2.09   0.645% *  0.2228% (0.31 10.00   0.02   0.02) =   0.005%
          HD3   PRO   68 - HA    ARG+  54  17.51 +/- 4.00   1.984% *  0.0628% (0.87  1.00   0.02   0.02) =   0.004%
          HD3   PRO   93 - HA    ARG+  54  12.34 +/- 3.48   1.425% *  0.0649% (0.90  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HA    LEU  115  11.32 +/- 2.41   2.396% *  0.0221% (0.30  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - HA    LEU  115   9.66 +/- 1.41   2.232% *  0.0178% (0.25  1.00   0.02   4.78) =   0.001%
          HD3   PRO   93 - HA    LEU  115  11.87 +/- 1.80   1.658% *  0.0200% (0.28  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    LEU  115  16.29 +/- 2.33   0.559% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 5.64, residual support = 169.2:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.80 +/- 0.15  81.867% * 98.5625% (1.00  10.0 10.00   5.64 169.22) =  99.990%  kept
        T HA    LEU  115 - HB2   ARG+  54  13.88 +/- 1.98   0.933% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASN   28 - HB2   GLU-  14  15.41 +/- 5.46   3.604% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  23.34 +/- 5.07   0.343% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  26.74 +/- 9.42   1.856% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  26.41 +/- 4.58   0.157% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.67 +/- 6.09   3.636% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  29.83 +/- 6.94   0.188% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  22.16 +/- 3.95   0.254% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.78 +/- 4.23   0.151% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  15.95 +/- 2.11   0.556% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  26.73 +/- 4.17   0.134% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  14.62 +/- 3.87   1.005% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  30.53 +/- 6.47   0.111% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.04 +/- 4.75   0.604% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  30.47 +/-10.71   0.451% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.04 +/- 3.25   0.095% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  28.02 +/- 7.41   1.571% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.38 +/- 6.62   0.849% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  20.82 +/- 5.54   0.455% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  33.96 +/- 3.33   0.051% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.58 +/- 4.36   0.589% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  29.64 +/- 3.42   0.078% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  28.14 +/- 6.73   0.149% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  32.74 +/- 6.73   0.121% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  29.19 +/- 5.14   0.112% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  33.66 +/- 7.08   0.077% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 0.994, support = 4.99, residual support = 161.3:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.72 +/- 0.60  68.025% * 74.3438% (1.00  10.0 10.00   5.07 169.22) =  94.823%  kept
          QB    PHE   55 - HB2   ARG+  54   4.91 +/- 0.53  15.485% * 10.0454% (0.80   1.0  1.00   3.37   3.84) =   2.917%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.21 +/- 0.77   8.659% * 13.7172% (0.99   1.0  1.00   3.72  31.55) =   2.227%  kept
        T HD3   PRO   93 - HB2   ARG+  54  12.94 +/- 3.46   1.379% *  0.6667% (0.90   1.0 10.00   0.02   0.02) =   0.017%
        T HD3   PRO   68 - HB2   ARG+  54  19.64 +/- 4.42   0.852% *  0.6449% (0.87   1.0 10.00   0.02   0.02) =   0.010%
        T HD3   PRO   68 - HB2   GLU-  14  17.68 +/- 4.03   1.508% *  0.0948% (0.13   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HB2   ARG+  54  11.27 +/- 1.36   1.941% *  0.0391% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HG2   MET   11  20.99 +/- 6.30   0.502% *  0.0624% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HG2   MET   11  31.01 +/- 7.88   0.325% *  0.0719% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  27.89 +/- 5.61   0.208% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  28.94 +/- 4.55   0.109% *  0.0980% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  33.49 +/- 5.60   0.066% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  26.31 +/- 3.79   0.158% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  24.86 +/- 3.51   0.176% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  30.25 +/- 6.99   0.182% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  23.52 +/- 3.26   0.161% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  28.08 +/- 5.94   0.149% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  27.47 +/- 5.77   0.115% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 169.2:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.82 +/- 0.75  92.045% * 99.0328% (1.00 10.00   5.68 169.22) =  99.981%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.17 +/- 2.09   2.212% *  0.6007% (0.61 10.00   0.02   0.02) =   0.015%
          HA    ALA  124 - HD2   ARG+  54  23.83 +/- 5.31   2.253% *  0.0971% (0.98  1.00   0.02   0.02) =   0.002%
          HA    LYS+  81 - HD2   ARG+  54  23.01 +/- 4.18   0.722% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HD2   ARG+  54  26.96 +/- 4.88   0.562% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  17.33 +/- 2.11   1.311% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  28.20 +/- 3.78   0.391% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  34.02 +/- 3.83   0.202% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  30.33 +/- 3.96   0.303% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.05 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 169.2:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.72 +/- 0.60  94.061% * 97.9068% (1.00  10.0 10.00   5.07 169.22) =  99.983%  kept
        T HB2   PRO   93 - HD2   ARG+  54  13.50 +/- 3.24   1.133% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   GLN   30 - HD2   ARG+  54  25.10 +/- 5.09   0.461% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HD2   ARG+  54  15.58 +/- 2.64   1.034% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD2   ARG+  54  31.01 +/- 7.88   0.486% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   ARG+  54  25.19 +/- 4.87   0.549% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD2   ARG+  54  27.89 +/- 5.61   0.304% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  20.27 +/- 2.47   0.361% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  20.85 +/- 5.45   1.488% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  31.41 +/- 3.61   0.122% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 4.9, residual support = 168.1:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.71 +/- 0.24  87.466% * 88.7617% (1.00  10.0 10.00   4.93 169.22) =  99.312%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.01 +/- 1.63   5.827% *  9.0460% (0.38   1.0 10.00   0.54   1.97) =   0.674%  kept
        T HG3   PRO   68 - HD2   ARG+  54  20.58 +/- 5.69   0.651% *  0.8798% (0.99   1.0 10.00   0.02   0.02) =   0.007%
        T QB    LYS+  81 - HD2   ARG+  54  22.08 +/- 4.29   0.294% *  0.7699% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HD2   ARG+  54   9.30 +/- 1.38   3.110% *  0.0365% (0.41   1.0  1.00   0.02   0.12) =   0.001%
          HB3   ASP- 105 - HD2   ARG+  54  21.74 +/- 4.39   0.623% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD2   ARG+  54  19.43 +/- 2.73   0.475% *  0.0741% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  21.55 +/- 3.71   0.274% *  0.0819% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  18.64 +/- 4.53   0.532% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  26.45 +/- 3.67   0.176% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.97 +/- 3.74   0.120% *  0.0857% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.31 +/- 4.81   0.205% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  25.06 +/- 3.32   0.173% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  30.52 +/- 3.66   0.074% *  0.0247% (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 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 = 3.79, residual support = 20.8:
    * O T QB    PHE   55 - HA    PHE   55   2.36 +/- 0.12  82.146% * 87.3861% (1.00  10.0 10.00   3.79  21.03) =  98.467%  kept
          HD2   ARG+  54 - HA    PHE   55   5.67 +/- 1.19   9.274% * 11.9885% (0.80   1.0  1.00   3.43   3.84) =   1.525%  kept
          HB3   CYS   53 - HA    PHE   55   7.83 +/- 0.34   2.395% *  0.0758% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PHE   55   8.85 +/- 1.03   1.864% *  0.0784% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   55  13.56 +/- 4.01   0.874% *  0.0857% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QB    PHE   55 - HA    VAL   42  16.59 +/- 2.14   0.303% *  0.2057% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   55  18.59 +/- 3.56   0.349% *  0.0866% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  11.50 +/- 2.02   0.988% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.17 +/- 2.15   0.733% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  13.34 +/- 1.82   0.608% *  0.0184% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.36 +/- 2.40   0.329% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  20.68 +/- 2.11   0.139% *  0.0165% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.79, residual support = 21.0:
    * O T HA    PHE   55 - QB    PHE   55   2.36 +/- 0.12  96.444% * 99.2581% (1.00  10.0 10.00   3.79  21.03) =  99.995%  kept
          HA    ALA  110 - QB    PHE   55  10.54 +/- 3.95   2.920% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   42 - QB    PHE   55  16.59 +/- 2.14   0.354% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    PHE   55  17.76 +/- 2.85   0.282% *  0.0939% (0.95   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 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 = 122.5:
    * O T HB    ILE   56 - HA    ILE   56   2.49 +/- 0.17  85.406% * 84.1177% (1.00  10.0 10.00   4.38 124.24) =  98.640%  kept
        T HB3   PRO   58 - HA    ILE   56   6.29 +/- 1.08   6.448% * 15.3131% (0.49   1.0 10.00   0.75   0.02) =   1.356%  kept
          HG2   ARG+  54 - HA    ILE   56   7.51 +/- 0.73   3.590% *  0.0346% (0.41   1.0  1.00   0.02   0.12) =   0.002%
          HB3   ASP- 105 - HA    ILE   56  15.98 +/- 3.70   2.044% *  0.0377% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    ILE   56  15.80 +/- 3.56   0.657% *  0.0578% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  15.14 +/- 2.07   0.586% *  0.0643% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ILE   56  22.30 +/- 3.77   0.269% *  0.0611% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.16 +/- 2.96   0.156% *  0.0703% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  17.79 +/- 3.21   0.314% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  21.83 +/- 3.13   0.159% *  0.0544% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.75 +/- 2.79   0.078% *  0.0812% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.88 +/- 2.87   0.184% *  0.0316% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.01 +/- 2.31   0.110% *  0.0476% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.57 +/- 0.40  95.300% * 98.4757% (1.00  10.0  1.00   4.74 124.24) =  99.996%  kept
        T HG3   LYS+  38 - HA    ILE   56  28.11 +/- 2.91   0.109% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   56  23.10 +/- 3.57   0.279% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   56  14.89 +/- 2.52   0.847% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ILE   56  19.23 +/- 4.74   0.532% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  14.94 +/- 4.27   1.557% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.49 +/- 1.91   0.306% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.92 +/- 1.80   0.302% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  20.28 +/- 3.04   0.292% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  19.77 +/- 3.25   0.474% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 124.2:
    * O T QG1   ILE   56 - HA    ILE   56   3.12 +/- 0.43  94.667% * 97.9351% (1.00  10.0 10.00   3.89 124.24) =  99.988%  kept
        T QD    LYS+ 106 - HA    ILE   56  16.26 +/- 2.52   0.856% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LYS+  99 - HA    ILE   56  21.25 +/- 3.36   0.394% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - HA    ILE   56  19.91 +/- 3.58   0.517% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   73 - HA    ILE   56  17.31 +/- 4.91   1.449% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  14.49 +/- 3.44   1.673% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  19.57 +/- 2.60   0.443% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.15 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.38, residual support = 124.0:
    * O T HA    ILE   56 - HB    ILE   56   2.49 +/- 0.17  86.746% * 96.6023% (1.00  10.0 10.00   4.38 124.24) =  99.837%  kept
        T HA    PRO   58 - HB    ILE   56   6.72 +/- 1.20   5.993% *  2.1126% (0.28   1.0 10.00   0.16   0.02) =   0.151%  kept
        T HA    LEU  123 - HB    ILE   56  14.48 +/- 3.08   0.638% *  0.9469% (0.98   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP- 113 - HB    ILE   56   8.63 +/- 2.55   5.899% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+  99 - HB    ILE   56  20.72 +/- 2.95   0.216% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  19.82 +/- 2.56   0.208% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.06 +/- 2.45   0.083% *  0.0964% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  23.56 +/- 2.69   0.114% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  26.10 +/- 4.09   0.104% *  0.0241% (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 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   2.12 +/- 0.01  97.528% * 98.4757% (1.00  10.0 10.00   5.52 124.24) =  99.998%  kept
        T HG3   LYS+  38 - HB    ILE   56  27.10 +/- 2.68   0.052% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB    ILE   56  14.12 +/- 2.57   0.467% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  21.82 +/- 3.45   0.131% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  18.96 +/- 4.54   0.350% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  14.35 +/- 4.13   0.786% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.62 +/- 1.82   0.159% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  19.06 +/- 1.64   0.145% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.82 +/- 3.11   0.162% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  18.89 +/- 3.45   0.219% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 124.2:
    * O T QG1   ILE   56 - HB    ILE   56   2.26 +/- 0.13  96.243% * 98.7886% (1.00  10.0 10.00   4.62 124.24) =  99.994%  kept
        T QD    LYS+ 106 - HB    ILE   56  14.94 +/- 2.15   0.492% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HB    ILE   56  18.81 +/- 3.45   0.385% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HB    ILE   56  16.54 +/- 4.71   1.125% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  19.97 +/- 3.24   0.263% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56  13.44 +/- 3.79   1.277% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  18.52 +/- 2.49   0.216% *  0.0639% (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 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   2.12 +/- 0.01  85.498% * 98.4311% (1.00  10.0 10.00   5.52 124.24) =  99.991%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.77 +/- 1.24   4.479% *  0.0405% (0.41   1.0  1.00   0.02   0.12) =   0.002%
          HB3   PRO   58 - QG2   ILE   56   6.80 +/- 1.06   3.327% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QG2   ILE   56  12.55 +/- 2.84   2.894% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   ILE   56  11.86 +/- 3.20   1.365% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QG2   ILE   56  22.08 +/- 2.60   0.093% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  11.59 +/- 1.37   0.631% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG2   ILE   56  17.71 +/- 3.38   0.516% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  14.72 +/- 3.02   0.460% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  16.98 +/- 2.70   0.217% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  18.26 +/- 2.57   0.167% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  17.17 +/- 2.34   0.231% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.83 +/- 2.21   0.121% *  0.0557% (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 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 = 4.87, residual support = 124.2:
    * O T QG1   ILE   56 - QG2   ILE   56   2.33 +/- 0.20  91.078% * 98.7886% (1.00  10.0 10.00   4.87 124.24) =  99.989%  kept
        T QD    LYS+  99 - QG2   ILE   56  16.22 +/- 3.02   0.744% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 106 - QG2   ILE   56  12.52 +/- 1.90   0.804% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU   73 - QG2   ILE   56  14.03 +/- 4.67   3.568% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QG2   ILE   56  10.75 +/- 3.10   2.872% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QG2   ILE   56  17.15 +/- 2.90   0.517% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QG2   ILE   56  15.12 +/- 2.40   0.418% *  0.0639% (0.65   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 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.88, residual support = 123.5:
    * O T HA    ILE   56 - QG1   ILE   56   3.12 +/- 0.43  66.281% * 95.8829% (1.00  10.0 10.00   3.89 124.24) =  99.398%  kept
          HA    PRO   58 - QG1   ILE   56   6.17 +/- 0.62  11.137% *  2.3129% (0.28   1.0  1.00   1.74   0.02) =   0.403%  kept
        T HA    ASP- 113 - QG1   ILE   56   7.64 +/- 2.41  19.541% *  0.6203% (0.65   1.0 10.00   0.02   0.02) =   0.190%  kept
        T HA    LYS+  99 - QG1   ILE   56  17.40 +/- 2.48   0.484% *  0.9070% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HA    LEU  123 - QG1   ILE   56  13.52 +/- 1.99   1.181% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - QG1   ILE   56  16.58 +/- 2.40   0.574% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  22.20 +/- 2.26   0.224% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  20.09 +/- 2.39   0.308% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  22.35 +/- 3.40   0.270% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 4.62, residual support = 123.9:
    * O T HB    ILE   56 - QG1   ILE   56   2.26 +/- 0.13  85.819% * 93.5254% (1.00  10.0 10.00   4.62 124.24) =  99.766%  kept
          HB3   PRO   58 - QG1   ILE   56   6.76 +/- 0.67   3.423% *  5.1985% (0.49   1.0  1.00   2.28   0.02) =   0.221%  kept
        T QB    LYS+ 106 - QG1   ILE   56  11.38 +/- 1.21   0.827% *  0.7147% (0.76   1.0 10.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - QG1   ILE   56   7.57 +/- 1.36   4.328% *  0.0384% (0.41   1.0  1.00   0.02   0.12) =   0.002%
          HB2   MET   92 - QG1   ILE   56  12.13 +/- 3.07   1.794% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG1   ILE   56  12.13 +/- 2.65   1.783% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG1   ILE   56  18.25 +/- 2.95   0.444% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  14.49 +/- 3.33   0.602% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  17.85 +/- 2.58   0.230% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  17.49 +/- 2.62   0.233% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.00 +/- 2.49   0.112% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  17.04 +/- 1.89   0.254% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.75 +/- 2.11   0.151% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 124.2:
    * O T QG2   ILE   56 - QG1   ILE   56   2.33 +/- 0.20  92.429% * 98.4757% (1.00  10.0 10.00   4.87 124.24) =  99.995%  kept
        T HG3   LYS+  38 - QG1   ILE   56  23.20 +/- 2.62   0.109% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QG1   ILE   56  11.72 +/- 2.02   1.200% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG1   ILE   56  11.61 +/- 3.51   3.343% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QG1   ILE   56  16.05 +/- 3.83   0.915% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QG1   ILE   56  18.56 +/- 2.82   0.250% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QG1   ILE   56  15.67 +/- 1.69   0.360% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  16.13 +/- 1.71   0.323% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.72 +/- 2.55   0.401% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  15.91 +/- 3.32   0.672% *  0.0172% (0.18   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 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 = 6.54, residual support = 143.5:
    * O T HA    PRO   58 - HD2   PRO   58   3.82 +/- 0.07  38.404% * 97.5477% (0.95  10.0 10.00   6.69 147.69) =  97.188%  kept
          HA    ILE   56 - HD2   PRO   58   3.38 +/- 1.08  56.125% *  1.9257% (0.26   1.0  1.00   1.42   0.02) =   2.804%  kept
          HA    THR   46 - HD2   PRO   58  12.90 +/- 3.58   2.481% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HD2   PRO   58  14.68 +/- 3.08   1.158% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   58  19.36 +/- 4.32   0.562% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  22.87 +/- 3.59   0.275% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HD2   PRO   58  20.63 +/- 2.61   0.271% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HD2   PRO   58  25.03 +/- 4.72   0.195% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  27.65 +/- 1.86   0.102% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  21.83 +/- 3.04   0.305% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  26.52 +/- 2.88   0.123% *  0.0243% (0.24   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 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 6.89, residual support = 147.6:
    * O T HB2   PRO   58 - HD2   PRO   58   3.98 +/- 0.23  78.994% * 99.0972% (0.95  10.0 10.00   6.90 147.69) =  99.938%  kept
          HB2   GLN  116 - HD2   PRO   58   9.24 +/- 2.16  12.697% *  0.3437% (0.54   1.0  1.00   0.12   0.02) =   0.056%
          HB3   PHE   97 - HD2   PRO   58  16.68 +/- 3.84   3.057% *  0.0720% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HD2   PRO   58  26.21 +/- 3.44   0.371% *  0.4443% (0.42   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   52 - HD2   PRO   58  11.42 +/- 1.57   4.504% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  27.92 +/- 5.22   0.377% *  0.0276% (0.26   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 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.84, residual support = 141.7:
    * O T HB3   PRO   58 - HD2   PRO   58   3.71 +/- 0.25  43.491% * 92.5333% (0.79  10.0 10.00   7.08 147.69) =  95.959%  kept
          HB    ILE   56 - HD2   PRO   58   4.49 +/- 1.21  33.692% *  4.9992% (0.79   1.0  1.00   1.08   0.02) =   4.016%  kept
        T HB3   GLN   30 - HD2   PRO   58  21.74 +/- 3.40   0.292% *  1.1078% (0.95   1.0 10.00   0.02   0.02) =   0.008%
          HG2   ARG+  54 - HD2   PRO   58   7.81 +/- 2.02  13.977% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   LYS+  38 - HD2   PRO   58  26.12 +/- 2.77   0.140% *  1.0480% (0.89   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   92 - HD2   PRO   58  17.11 +/- 3.86   0.976% *  0.1069% (0.91   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD2   PRO   58  15.94 +/- 2.81   2.021% *  0.0455% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HD2   PRO   58  16.39 +/- 4.01   4.403% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HD2   PRO   58  22.78 +/- 3.84   0.388% *  0.0416% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  22.79 +/- 3.81   0.237% *  0.0342% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.46 +/- 2.76   0.192% *  0.0276% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  27.89 +/- 6.68   0.190% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.05 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.6, residual support = 147.7:
    * O T HG2   PRO   58 - HD2   PRO   58   2.79 +/- 0.24  94.843% * 98.7160% (0.95  10.0 10.00   6.60 147.69) =  99.985%  kept
        T HG3   PRO   52 - HD2   PRO   58  12.34 +/- 1.69   1.284% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.014%
          HB2   PRO   93 - HD2   PRO   58  12.77 +/- 3.75   2.317% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HD2   PRO   58  24.72 +/- 4.09   0.232% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  28.16 +/- 6.32   0.193% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  18.17 +/- 2.35   0.443% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  22.63 +/- 5.36   0.504% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  24.63 +/- 2.97   0.185% *  0.0195% (0.19   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 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.25, residual support = 147.5:
    * O T HB2   PRO   58 - HA    PRO   58   2.60 +/- 0.20  94.440% * 96.4976% (1.00  10.0 10.00   6.25 147.69) =  99.878%  kept
        T HB2   GLN  116 - HA    PRO   58  10.33 +/- 2.26   3.286% *  3.3473% (0.57   1.0 10.00   0.12   0.02) =   0.121%  kept
          HB3   PHE   97 - HA    PRO   58  15.33 +/- 3.92   1.208% *  0.0701% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    PRO   58  14.02 +/- 1.16   0.708% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  24.09 +/- 3.59   0.170% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  26.05 +/- 5.42   0.188% *  0.0268% (0.28   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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 147.6:
    * O T HB3   PRO   58 - HA    PRO   58   2.43 +/- 0.20  88.528% * 98.4544% (0.84  10.0 10.00   6.22 147.69) =  99.929%  kept
        T HB    ILE   56 - HA    PRO   58   6.72 +/- 1.20   6.036% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.068%
          HB2   MET   92 - HA    PRO   58  18.25 +/- 3.82   0.533% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    PRO   58  19.44 +/- 3.54   0.378% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    PRO   58  15.76 +/- 2.91   0.835% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    PRO   58  10.31 +/- 1.84   1.901% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  15.36 +/- 3.79   0.942% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  23.38 +/- 2.80   0.128% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  22.91 +/- 3.81   0.193% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.14 +/- 2.79   0.194% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  23.55 +/- 3.77   0.129% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  25.27 +/- 6.24   0.201% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.7:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.02  86.458% * 98.7160% (1.00  10.0 10.00   5.98 147.69) =  99.975%  kept
        T HG3   PRO   52 - HA    PRO   58  15.04 +/- 1.32   1.736% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.020%
          HB2   PRO   93 - HA    PRO   58  13.60 +/- 3.62   4.927% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    PRO   58  22.02 +/- 4.35   0.943% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    PRO   58  25.53 +/- 5.92   0.642% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  16.00 +/- 1.95   1.543% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    PRO   58  21.14 +/- 5.76   3.097% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLN   32 - HA    PRO   58  22.44 +/- 3.01   0.654% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.11 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 147.7:
    * O T HD2   PRO   58 - HA    PRO   58   3.82 +/- 0.07  92.445% * 98.5403% (0.95  10.0 10.00   6.69 147.69) =  99.990%  kept
        T HA    GLU- 100 - HA    PRO   58  23.62 +/- 3.26   0.508% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HB2   CYS   53 - HA    PRO   58  10.66 +/- 1.86   6.032% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HA    PRO   58  22.71 +/- 2.64   0.531% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    PRO   58  23.41 +/- 3.11   0.485% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 147.7:
    * O T HA    PRO   58 - HB2   PRO   58   2.60 +/- 0.20  87.450% * 99.4356% (1.00  10.0 10.00   6.25 147.69) =  99.995%  kept
          HA    ILE   56 - HB2   PRO   58   6.16 +/- 1.01   8.282% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   46 - HB2   PRO   58  14.65 +/- 3.28   1.003% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   PRO   58  12.80 +/- 2.97   1.462% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB2   PRO   58  21.48 +/- 3.75   0.305% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  18.07 +/- 4.35   0.579% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  19.36 +/- 2.54   0.272% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  23.58 +/- 4.88   0.180% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  26.12 +/- 1.63   0.093% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  20.70 +/- 3.32   0.258% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  25.12 +/- 2.95   0.117% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.5, residual support = 147.7:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  95.333% * 98.9371% (0.84  10.0 10.00   4.50 147.69) =  99.996%  kept
          HB    ILE   56 - HB2   PRO   58   6.61 +/- 1.52   2.800% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HB2   PRO   58  24.05 +/- 3.55   0.052% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  18.72 +/- 3.60   0.147% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  15.86 +/- 3.21   0.302% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  20.88 +/- 3.45   0.103% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  11.04 +/- 2.11   0.666% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  15.42 +/- 4.17   0.402% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  24.60 +/- 2.66   0.040% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.37 +/- 2.77   0.063% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  24.40 +/- 3.24   0.042% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  26.44 +/- 6.32   0.050% *  0.0207% (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 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 147.7:
    * O T HG2   PRO   58 - HB2   PRO   58   2.53 +/- 0.30  96.913% * 98.7160% (1.00  10.0 10.00   4.26 147.69) =  99.994%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.53 +/- 1.45   0.513% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.005%
          HB2   PRO   93 - HB2   PRO   58  14.35 +/- 3.38   0.823% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  23.35 +/- 4.45   0.202% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  26.72 +/- 6.02   0.203% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.20 +/- 2.13   0.413% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  22.68 +/- 5.79   0.758% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  23.67 +/- 3.01   0.174% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.9, residual support = 147.7:
    * O T HD2   PRO   58 - HB2   PRO   58   3.98 +/- 0.23  92.884% * 98.5403% (0.95  10.0 10.00   6.90 147.69) =  99.990%  kept
        T HA    GLU- 100 - HB2   PRO   58  24.66 +/- 3.37   0.520% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HB2   CYS   53 - HB2   PRO   58  11.62 +/- 1.88   5.657% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HB2   PRO   58  23.97 +/- 2.57   0.490% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   PRO   58  24.64 +/- 2.60   0.449% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.831, support = 6.18, residual support = 146.6:
    * O T HA    PRO   58 - HB3   PRO   58   2.43 +/- 0.20  89.544% * 90.1402% (0.84  10.0 10.00   6.22 147.69) =  99.253%  kept
        T HA    ILE   56 - HB3   PRO   58   6.29 +/- 1.08   6.463% *  9.3732% (0.23   1.0 10.00   0.75   0.02) =   0.745%  kept
          HA    THR   46 - HB3   PRO   58  14.76 +/- 3.59   0.986% *  0.0547% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   PRO   58  13.15 +/- 3.05   1.429% *  0.0338% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   PRO   58  18.00 +/- 4.71   0.496% *  0.0474% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  19.60 +/- 2.73   0.266% *  0.0870% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  21.47 +/- 4.06   0.224% *  0.0899% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  23.63 +/- 5.23   0.172% *  0.0899% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  26.27 +/- 2.00   0.085% *  0.0474% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  20.92 +/- 3.41   0.230% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  25.25 +/- 3.19   0.107% *  0.0225% (0.21   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 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.5, residual support = 147.7:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  97.468% * 99.1367% (0.84  10.0 10.00   4.50 147.69) =  99.996%  kept
        T HB3   PHE   97 - HB3   PRO   58  16.12 +/- 4.09   0.414% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN  116 - HB3   PRO   58   9.60 +/- 2.48   1.816% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HB3   PRO   58  14.51 +/- 1.57   0.202% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  25.19 +/- 3.96   0.047% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  27.55 +/- 5.62   0.053% *  0.0276% (0.23   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 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 = 147.7:
    * O T HG2   PRO   58 - HB3   PRO   58   2.73 +/- 0.31  96.391% * 97.0168% (0.84  10.0 10.00   4.23 147.69) =  99.987%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.45 +/- 1.75   0.648% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   GLU-  14 - HB3   PRO   58  23.36 +/- 4.74   0.387% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   MET   11 - HB3   PRO   58  26.81 +/- 6.23   0.161% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HB3   PRO   58  14.54 +/- 3.41   1.222% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.32 +/- 2.32   0.454% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  22.68 +/- 5.82   0.526% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  23.72 +/- 3.33   0.211% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.31 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.08, residual support = 147.7:
    * O T HD2   PRO   58 - HB3   PRO   58   3.71 +/- 0.25  93.720% * 98.5403% (0.79  10.0 10.00   7.08 147.69) =  99.991%  kept
        T HA    GLU- 100 - HB3   PRO   58  24.86 +/- 3.49   0.428% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.005%
          HB2   CYS   53 - HB3   PRO   58  11.53 +/- 2.15   5.024% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HB3   PRO   58  24.13 +/- 2.84   0.456% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB3   PRO   58  24.87 +/- 2.90   0.371% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 5.96, residual support = 147.1:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.02  35.153% * 97.9061% (1.00  10.0 10.00   5.98 147.69) =  99.628%  kept
          HA    ILE   56 - HG2   PRO   58   4.31 +/- 1.34  34.287% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.320%  kept
        T HA    PRO   58 - HG3   PRO   52  15.04 +/- 1.32   0.724% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.017%
          HA    THR   46 - HG3   PRO   52   9.92 +/- 3.53  10.330% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.014%
          HA    LEU  123 - HG3   PRO   52  22.22 +/- 5.63  10.124% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.009%
          HA    THR   46 - HG2   PRO   58  13.89 +/- 3.13   1.610% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HG2   PRO   58  12.75 +/- 2.97   2.108% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG3   PRO   52  10.72 +/- 1.35   2.717% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HG2   PRO   58  20.15 +/- 2.47   0.317% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  22.76 +/- 3.49   0.283% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  19.35 +/- 4.24   0.505% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   PRO   58  25.04 +/- 4.86   0.194% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   52  25.59 +/- 3.73   0.194% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  28.54 +/- 4.34   0.118% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  30.80 +/- 4.60   0.099% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  25.51 +/- 5.15   0.182% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  27.30 +/- 1.73   0.113% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  21.26 +/- 3.00   0.321% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  25.99 +/- 4.53   0.322% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  26.14 +/- 2.80   0.137% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.04 +/- 3.55   0.070% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.38 +/- 3.89   0.091% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.779, support = 4.69, residual support = 166.6:
    * O T HB2   PRO   58 - HG2   PRO   58   2.53 +/- 0.30  25.754% * 87.6342% (1.00  10.0 10.00   4.26 147.69) =  74.737%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  69.579% * 10.9466% (0.12  10.0 10.00   5.97 223.01) =  25.222%  kept
          HB2   GLN  116 - HG2   PRO   58   7.63 +/- 2.10   3.672% *  0.3040% (0.57   1.0  1.00   0.12   0.02) =   0.037%
        T HB2   PRO   58 - HG3   PRO   52  15.53 +/- 1.45   0.111% *  0.7095% (0.81   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   PRO   52 - HG2   PRO   58  12.90 +/- 1.57   0.207% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG2   PRO   58  15.81 +/- 3.79   0.231% *  0.0636% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.60 +/- 4.67   0.152% *  0.0515% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  14.68 +/- 2.69   0.183% *  0.0402% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  25.57 +/- 3.48   0.029% *  0.0393% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.15 +/- 5.00   0.030% *  0.0318% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.35 +/- 5.37   0.029% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.79 +/- 5.06   0.023% *  0.0197% (0.23   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 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.22, residual support = 147.2:
    * O T HB3   PRO   58 - HG2   PRO   58   2.73 +/- 0.31  58.988% * 96.3562% (0.84  10.0 10.00   4.23 147.69) =  99.639%  kept
          HB    ILE   56 - HG2   PRO   58   4.76 +/- 1.75  25.647% *  0.7579% (0.84   1.0  1.00   0.16   0.02) =   0.341%  kept
        T HB3   PRO   58 - HG3   PRO   52  15.45 +/- 1.75   0.397% *  0.7801% (0.68   1.0 10.00   0.02   0.02) =   0.005%
          HB2   MET   92 - HG3   PRO   52  12.35 +/- 5.43   2.532% *  0.0901% (0.78   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HG3   PRO   52  10.73 +/- 1.90   1.769% *  0.0780% (0.68   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HG3   PRO   52  19.00 +/- 4.47   0.294% *  0.3505% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG2   PRO   58   9.94 +/- 2.06   3.195% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  17.61 +/- 3.37   0.453% *  0.1113% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   PRO   58  23.69 +/- 3.28   0.108% *  0.4330% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HG2   PRO   58  15.25 +/- 2.87   0.681% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.87 +/- 0.95   2.062% *  0.0144% (0.12   1.0  1.00   0.02   1.97) =   0.001%
          QB    LYS+ 106 - HG3   PRO   52  16.81 +/- 3.96   0.670% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  21.71 +/- 3.38   0.196% *  0.1154% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  16.86 +/- 5.03   0.775% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  33.78 +/- 7.72   0.108% *  0.1636% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  27.96 +/- 6.52   0.086% *  0.2020% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  15.23 +/- 3.86   0.836% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.64 +/- 4.59   0.677% *  0.0164% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  25.68 +/- 2.51   0.082% *  0.1091% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  25.59 +/- 3.61   0.092% *  0.0934% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  23.58 +/- 3.06   0.115% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.59 +/- 3.90   0.044% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.30 +/- 2.79   0.125% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.55 +/- 3.36   0.064% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.19 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 6.59, residual support = 147.1:
    * O T HD2   PRO   58 - HG2   PRO   58   2.79 +/- 0.24  86.308% * 92.8735% (0.95  10.0 10.00   6.60 147.69) =  99.361%  kept
          HB2   CYS   53 - HG3   PRO   52   6.43 +/- 0.75   8.496% *  5.9415% (0.28   1.0  1.00   4.38  55.65) =   0.626%  kept
        T HD2   PRO   58 - HG3   PRO   52  12.34 +/- 1.69   1.168% *  0.7519% (0.77   1.0 10.00   0.02   0.02) =   0.011%
          HB2   CYS   53 - HG2   PRO   58  10.35 +/- 2.10   3.161% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG3   PRO   52  20.92 +/- 3.61   0.287% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  24.37 +/- 2.16   0.140% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  25.28 +/- 3.03   0.132% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.50 +/- 4.66   0.097% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  24.99 +/- 2.49   0.135% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  30.58 +/- 3.76   0.076% *  0.0221% (0.23   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 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 = 3.26, residual support = 57.9:
    * O T HB2   PHE   59 - HA    PHE   59   2.58 +/- 0.18  92.238% * 99.6348% (1.00  10.0 10.00   3.26  57.87) =  99.994%  kept
          QB    PHE   55 - HA    PHE   59   9.61 +/- 0.78   2.062% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - HA    PHE   59  10.79 +/- 1.50   1.851% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   59  12.30 +/- 2.32   1.336% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  13.01 +/- 2.03   1.577% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    PHE   59  14.57 +/- 2.72   0.936% *  0.0798% (0.80   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 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 57.9:
    * O T HB3   PHE   59 - HA    PHE   59   3.04 +/- 0.05  98.869% * 99.9552% (1.00  10.0 10.00   3.95  57.87) =  99.999%  kept
          HB3   TRP   49 - HA    PHE   59  18.09 +/- 3.04   1.131% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 57.9:
    * O T HA    PHE   59 - HB2   PHE   59   2.58 +/- 0.18  94.539% * 99.8386% (1.00  10.0 10.00   3.26  57.87) =  99.997%  kept
          HA    ASP- 113 - HB2   PHE   59   8.05 +/- 1.93   4.708% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    TRP   87 - HB2   PHE   59  20.74 +/- 2.85   0.258% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.39 +/- 2.47   0.349% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  23.69 +/- 2.47   0.147% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.9:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.627% * 99.9552% (1.00  10.0 10.00   3.44  57.87) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  16.94 +/- 3.29   0.373% *  0.0448% (0.45   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 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 57.9:
    * O T HA    PHE   59 - HB3   PHE   59   3.04 +/- 0.05  92.686% * 99.8386% (1.00  10.0 10.00   3.95  57.87) =  99.996%  kept
          HA    ASP- 113 - HB3   PHE   59   8.55 +/- 1.66   6.175% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   87 - HB3   PHE   59  19.99 +/- 2.46   0.415% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.10 +/- 2.30   0.501% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  23.43 +/- 2.36   0.223% *  0.0154% (0.15   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 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.9:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  95.059% * 99.6348% (1.00  10.0 10.00   3.44  57.87) =  99.996%  kept
          QB    PHE   55 - HB3   PHE   59   7.44 +/- 1.06   1.562% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB3   PHE   59   8.60 +/- 1.60   1.512% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HB3   PHE   59  11.22 +/- 2.04   1.130% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HB3   PHE   59  12.58 +/- 2.71   0.465% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.32 +/- 2.14   0.272% *  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 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 = 72.7:
    * O T HB2   PHE   60 - HA    PHE   60   2.65 +/- 0.27  99.475% * 99.9010% (1.00  10.0 10.00   4.00  72.70) =  99.999%  kept
          HB2   TRP   87 - HA    PHE   60  17.06 +/- 2.56   0.525% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HB3   PHE   60 - HA    PHE   60   2.72 +/- 0.26  95.433% * 99.7797% (1.00  10.0 10.00   4.00  72.70) =  99.997%  kept
          HB3   TRP   27 - HA    PHE   60  14.96 +/- 3.71   1.883% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    PHE   60  11.47 +/- 2.08   1.639% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    PHE   60  14.10 +/- 1.75   0.826% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    PHE   60  21.75 +/- 2.36   0.218% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HA    PHE   60 - HB2   PHE   60   2.65 +/- 0.27  92.149% * 99.8400% (1.00  10.0 10.00   4.00  72.70) =  99.998%  kept
          QB    SER  117 - HB2   PHE   60  12.10 +/- 1.69   1.300% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   PHE   60  11.36 +/- 2.89   2.353% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   PHE   60  13.03 +/- 3.67   2.534% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  13.28 +/- 2.12   1.142% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.72 +/- 1.36   0.522% *  0.0278% (0.28   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 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 = 72.7:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  98.348% * 99.7797% (1.00  10.0 10.00   4.00  72.70) =  99.999%  kept
          HB2   PHE   97 - HB2   PHE   60  12.25 +/- 2.80   0.674% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.03 +/- 3.66   0.672% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  14.42 +/- 2.12   0.250% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  22.32 +/- 2.73   0.056% *  0.0249% (0.25   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 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HA    PHE   60 - HB3   PHE   60   2.72 +/- 0.26  91.518% * 99.8400% (1.00  10.0 10.00   4.00  72.70) =  99.997%  kept
          QB    SER  117 - HB3   PHE   60  12.05 +/- 1.94   1.560% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB3   PHE   60  13.08 +/- 3.44   3.221% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   PHE   60  12.92 +/- 1.90   1.314% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   PHE   60  11.74 +/- 2.63   1.870% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.86 +/- 1.56   0.517% *  0.0278% (0.28   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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.849% * 99.9010% (1.00  10.0 10.00   4.00  72.70) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  17.28 +/- 2.99   0.151% *  0.0990% (0.99   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 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  86.976% * 98.4786% (1.00  10.0 10.00   2.21  17.91) =  99.988%  kept
        T QB    ALA  110 - HA    ALA   61  14.32 +/- 2.08   0.368% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          QG    LYS+  66 - HA    ALA   61   7.60 +/- 1.08   2.329% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - HA    ALA   61   9.27 +/- 1.52   1.388% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - HA    ALA   61  10.74 +/- 2.39   1.773% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    ALA   61   9.16 +/- 3.15   2.849% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    ALA   61  13.59 +/- 4.68   0.892% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    ALA   61  11.61 +/- 2.74   1.753% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  17.48 +/- 3.67   0.262% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  10.80 +/- 1.32   0.860% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  17.43 +/- 2.98   0.212% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.26 +/- 2.03   0.231% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.60 +/- 3.41   0.107% *  0.0518% (0.53   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 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.02  89.827% * 98.9510% (1.00  10.0 10.00   2.21  17.91) =  99.992%  kept
        T HA    ALA   61 - QB    ALA  110  14.32 +/- 2.08   0.380% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - QB    ALA   61   6.08 +/- 1.23   5.250% *  0.0444% (0.45   1.0  1.00   0.02   0.87) =   0.003%
          HD2   PRO   68 - QB    ALA   61   9.91 +/- 1.68   1.200% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA  110  11.07 +/- 2.16   1.018% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  10.48 +/- 1.90   1.113% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  14.46 +/- 3.16   0.601% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.77 +/- 2.49   0.161% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  15.51 +/- 2.61   0.318% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  20.08 +/- 2.86   0.132% *  0.0163% (0.16   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 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   2.64 +/- 0.22  99.384% * 99.9434% (1.00  10.0 10.00   3.00  40.99) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  16.69 +/- 2.72   0.616% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.84 +/- 0.28  97.141% * 99.7306% (0.98  10.0 10.00   3.00  40.99) =  99.998%  kept
          HG3   MET   96 - HA    ASP-  62  15.81 +/- 3.96   2.036% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HA    ASP-  62  22.16 +/- 3.55   0.336% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  23.40 +/- 3.06   0.249% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  22.27 +/- 3.72   0.238% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.64 +/- 0.22  97.623% * 99.8236% (1.00  10.0 10.00   3.00  40.99) =  99.998%  kept
          HA    SER  117 - HB2   ASP-  62  11.96 +/- 1.85   1.526% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB2   ASP-  62  19.89 +/- 4.33   0.717% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB2   ASP-  62  25.52 +/- 2.65   0.134% *  0.0278% (0.28   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 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  99.536% * 99.7306% (0.98  10.0 10.00   3.00  40.99) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  15.92 +/- 3.26   0.298% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  22.81 +/- 2.83   0.054% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  23.51 +/- 4.05   0.070% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  24.81 +/- 2.95   0.042% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.84 +/- 0.28  96.808% * 99.8236% (0.98  10.0 10.00   3.00  40.99) =  99.998%  kept
          HA    SER  117 - HB3   ASP-  62  11.89 +/- 1.77   1.888% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB3   ASP-  62  19.47 +/- 4.33   1.142% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB3   ASP-  62  24.89 +/- 2.72   0.163% *  0.0278% (0.27   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 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  99.695% * 99.4370% (0.98  10.0 10.00   3.00  40.99) =  99.998%  kept
        T HB2   PRO   52 - HB3   ASP-  62  15.29 +/- 3.06   0.305% *  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 = 239.8:
    * O T HB2   LEU   63 - HA    LEU   63   2.81 +/- 0.17  84.515% * 99.1997% (1.00  10.0 10.00   6.28 239.87) =  99.986%  kept
          HB3   ASP-  44 - HA    LEU   63   9.32 +/- 2.69   4.404% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - HA    LEU   63  12.84 +/- 3.94   5.446% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA  124 - HA    LEU   63  14.97 +/- 3.17   0.831% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LEU   63  17.43 +/- 3.70   0.700% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  15.29 +/- 2.44   0.664% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    LEU   63  17.87 +/- 3.24   0.567% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   63  19.38 +/- 2.59   0.321% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  16.08 +/- 2.41   0.546% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  17.69 +/- 2.23   0.425% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  18.90 +/- 2.82   0.378% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  15.18 +/- 2.96   0.812% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  19.30 +/- 3.01   0.391% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 239.8:
    * O T HB3   LEU   63 - HA    LEU   63   2.46 +/- 0.25  78.762% * 99.7424% (1.00  10.0 10.00   5.98 239.87) =  99.986%  kept
          QG1   VAL   70 - HA    LEU   63   5.85 +/- 1.62  11.230% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   18 - HA    LEU   63  10.42 +/- 3.73   2.555% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    LEU   63  10.58 +/- 2.59   3.948% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    LEU   63   9.90 +/- 3.24   3.141% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    LEU   63  15.86 +/- 2.45   0.364% *  0.0645% (0.65   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 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 239.0:
    * O T HG    LEU   63 - HA    LEU   63   3.28 +/- 0.64  74.176% * 97.7504% (1.00  10.0 10.00   5.97 239.87) =  99.626%  kept
          QG2   VAL   24 - HA    LEU   63  15.43 +/- 5.44  12.438% *  2.1599% (0.97   1.0  1.00   0.46   1.19) =   0.369%  kept
          HG3   LYS+ 112 - HA    LEU   63  13.83 +/- 3.20   2.850% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  107 - HA    LEU   63  10.07 +/- 2.49  10.537% *  0.0151% (0.15   1.0  1.00   0.02   0.24) =   0.002%
    Distance limit 3.52 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 = 0.764, support = 5.69, residual support = 239.8:
        T QD2   LEU   63 - HA    LEU   63   2.74 +/- 0.59  63.318% * 35.7505% (0.57 10.00   5.77 239.87) =  54.387%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.75 +/- 0.40  30.037% * 63.1462% (1.00 10.00   5.60 239.87) =  45.571%  kept
        T QD1   LEU   73 - HA    LEU   63  11.23 +/- 1.94   1.501% *  0.6315% (1.00 10.00   0.02   0.02) =   0.023%
        T QD1   LEU  104 - HA    LEU   63  11.46 +/- 2.23   1.863% *  0.3575% (0.57 10.00   0.02   0.02) =   0.016%
          QD2   LEU  115 - HA    LEU   63   8.98 +/- 1.28   2.416% *  0.0527% (0.84  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HA    LEU   63  16.18 +/- 2.05   0.408% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  15.81 +/- 1.81   0.458% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.908, support = 5.73, residual support = 239.8:
    *   T QD2   LEU   63 - HA    LEU   63   2.74 +/- 0.59  63.169% * 63.5438% (1.00 10.00   5.77 239.87) =  78.818%  kept
        T QD1   LEU   63 - HA    LEU   63   3.75 +/- 0.40  29.967% * 35.9756% (0.57 10.00   5.60 239.87) =  21.169%  kept
        T QD1   LEU   73 - HA    LEU   63  11.23 +/- 1.94   1.497% *  0.3598% (0.57 10.00   0.02   0.02) =   0.011%
          QG2   VAL   41 - HA    LEU   63  11.88 +/- 1.63   1.156% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HA    LEU   63   8.98 +/- 1.28   2.411% *  0.0158% (0.25  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  12.88 +/- 1.80   0.881% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  16.22 +/- 2.95   0.512% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.18 +/- 2.05   0.407% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 239.8:
    * O T HA    LEU   63 - HB2   LEU   63   2.81 +/- 0.17  97.843% * 99.2046% (1.00  10.0 10.00   6.28 239.87) =  99.985%  kept
        T HB2   HIS   22 - HB2   LEU   63  17.36 +/- 4.67   1.855% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.014%
          HA2   GLY  101 - HB2   LEU   63  19.84 +/- 1.61   0.302% *  0.0372% (0.38   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 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 = 239.9:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  85.755% * 99.7424% (1.00  10.0 10.00   6.31 239.87) =  99.992%  kept
          QG1   VAL   70 - HB2   LEU   63   6.11 +/- 2.06   8.003% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HB2   LEU   63  10.41 +/- 2.81   2.995% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU   63   9.92 +/- 3.62   1.409% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63   9.94 +/- 2.92   1.659% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   63  14.77 +/- 2.04   0.178% *  0.0645% (0.65   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 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.3, residual support = 239.2:
    * O T HG    LEU   63 - HB2   LEU   63   2.58 +/- 0.20  85.380% * 97.3378% (1.00  10.0 10.00   6.31 239.87) =  99.699%  kept
          QG2   VAL   24 - HB2   LEU   63  14.76 +/- 5.07   9.697% *  2.5728% (0.97   1.0  1.00   0.55   1.19) =   0.299%  kept
          HG3   LYS+ 112 - HB2   LEU   63  12.71 +/- 2.82   1.273% *  0.0744% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB2   LEU   63   9.12 +/- 1.90   3.650% *  0.0150% (0.15   1.0  1.00   0.02   0.24) =   0.001%
    Distance limit 3.08 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 = 0.916, support = 6.13, residual support = 239.2:
    * O T QD1   LEU   63 - HB2   LEU   63   2.28 +/- 0.18  66.647% * 57.1885% (1.00  10.0 10.00   6.12 239.87) =  80.293%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.10 +/- 0.24  28.499% * 32.3775% (0.57  10.0 10.00   6.25 239.87) =  19.439%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.49 +/- 2.41   1.230% * 10.0067% (1.00   1.0 10.00   0.35   0.02) =   0.259%  kept
        T QD1   LEU  104 - HB2   LEU   63  11.16 +/- 2.06   0.879% *  0.3238% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HB2   LEU   63   8.00 +/- 1.31   2.166% *  0.0478% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   LEU   63  15.47 +/- 2.18   0.274% *  0.0458% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  14.97 +/- 2.03   0.305% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.752, support = 6.16, residual support = 239.4:
      O T QD1   LEU   63 - HB2   LEU   63   2.28 +/- 0.18  66.383% * 33.9600% (0.57  10.0 10.00   6.12 239.87) =  56.864%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.10 +/- 0.24  28.387% * 59.9837% (1.00  10.0 10.00   6.25 239.87) =  42.951%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.49 +/- 2.41   1.226% *  5.9422% (0.57   1.0 10.00   0.35   0.02) =   0.184%  kept
          QD2   LEU  115 - HB2   LEU   63   8.00 +/- 1.31   2.158% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB2   LEU   63  11.37 +/- 1.34   0.630% *  0.0364% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  12.18 +/- 1.59   0.545% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  15.49 +/- 3.29   0.398% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.47 +/- 2.18   0.273% *  0.0134% (0.22   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 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 239.9:
    * O T HA    LEU   63 - HB3   LEU   63   2.46 +/- 0.25  98.858% * 99.8862% (1.00  10.0 10.00   5.98 239.87) =  99.999%  kept
          HB2   HIS   22 - HB3   LEU   63  17.81 +/- 4.11   0.906% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   LEU   63  19.24 +/- 2.05   0.236% *  0.0375% (0.38   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 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 239.9:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  92.963% * 99.1997% (1.00  10.0 10.00   6.31 239.87) =  99.994%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.31 +/- 2.68   4.026% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HB3   LEU   63  12.07 +/- 3.67   1.155% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB3   LEU   63  16.38 +/- 4.07   0.273% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  14.09 +/- 2.45   0.247% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  15.23 +/- 3.20   0.206% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.34 +/- 3.08   0.182% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  15.19 +/- 2.68   0.204% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  18.45 +/- 2.71   0.105% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  16.84 +/- 2.19   0.131% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.22 +/- 3.16   0.116% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  14.00 +/- 2.84   0.278% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  18.36 +/- 2.71   0.113% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.97, residual support = 238.5:
    * O T HG    LEU   63 - HB3   LEU   63   2.87 +/- 0.23  71.625% * 97.5622% (1.00  10.0 10.00   6.00 239.87) =  99.426%  kept
          QG2   VAL   24 - HB3   LEU   63  14.71 +/- 5.34  17.075% *  2.3482% (0.97   1.0  1.00   0.50   1.19) =   0.570%  kept
          QG1   VAL  107 - HB3   LEU   63   9.41 +/- 2.60  10.203% *  0.0151% (0.15   1.0  1.00   0.02   0.24) =   0.002%
          HG3   LYS+ 112 - HB3   LEU   63  13.60 +/- 3.01   1.097% *  0.0746% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 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 = 0.82, support = 5.85, residual support = 238.7:
    * O T QD1   LEU   63 - HB3   LEU   63   2.61 +/- 0.35  42.443% * 51.1948% (1.00  10.0 10.00   5.83 239.87) =  58.079%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.36 +/- 0.26  53.490% * 28.9842% (0.57  10.0 10.00   5.95 239.87) =  41.440%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.61 +/- 2.37   0.907% * 19.4384% (1.00   1.0 10.00   0.76   0.02) =   0.471%  kept
        T QD1   LEU  104 - HB3   LEU   63  10.77 +/- 2.29   1.037% *  0.2898% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - HB3   LEU   63   8.65 +/- 1.61   1.660% *  0.0428% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LEU   63  15.43 +/- 2.05   0.215% *  0.0410% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  14.89 +/- 1.98   0.249% *  0.0090% (0.18   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 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 5.9, residual support = 239.3:
    * O T QD2   LEU   63 - HB3   LEU   63   2.36 +/- 0.26  53.388% * 56.0846% (1.00  10.0 10.00   5.95 239.87) =  68.827%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.61 +/- 0.35  42.365% * 31.7525% (0.57  10.0 10.00   5.83 239.87) =  30.921%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.61 +/- 2.37   0.906% * 12.0563% (0.57   1.0 10.00   0.76   0.02) =   0.251%  kept
          QD2   LEU  115 - HB3   LEU   63   8.65 +/- 1.61   1.656% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   63  10.96 +/- 1.67   0.643% *  0.0340% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   63  11.84 +/- 1.93   0.530% *  0.0231% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  15.47 +/- 3.24   0.298% *  0.0231% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.43 +/- 2.05   0.214% *  0.0125% (0.22   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 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 239.9:
    * O T HA    LEU   63 - HG    LEU   63   3.28 +/- 0.64  97.755% * 99.8862% (1.00  10.0 10.00   5.97 239.87) =  99.999%  kept
          HB2   HIS   22 - HG    LEU   63  17.54 +/- 4.56   1.474% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HG    LEU   63  19.41 +/- 2.41   0.772% *  0.0375% (0.38   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 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 239.8:
    * O T HB2   LEU   63 - HG    LEU   63   2.58 +/- 0.20  85.494% * 99.1997% (1.00  10.0 10.00   6.31 239.87) =  99.986%  kept
          HB3   ASP-  44 - HG    LEU   63   8.63 +/- 3.02   6.770% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.008%
          HB3   PRO   93 - HG    LEU   63  12.50 +/- 3.49   1.975% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG    LEU   63  16.19 +/- 3.85   0.917% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG    LEU   63  14.10 +/- 3.00   0.928% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   63  15.35 +/- 2.96   0.701% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG    LEU   63  17.28 +/- 2.93   0.455% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  15.26 +/- 2.67   0.605% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  18.57 +/- 3.23   0.327% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  16.99 +/- 2.50   0.365% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  18.07 +/- 2.38   0.363% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  14.03 +/- 3.00   0.736% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  18.46 +/- 3.13   0.364% *  0.0174% (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 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 239.8:
    * O T HB3   LEU   63 - HG    LEU   63   2.87 +/- 0.23  55.506% * 99.7424% (1.00  10.0 10.00   6.00 239.87) =  99.960%  kept
          QG1   VAL   70 - HG    LEU   63   5.51 +/- 2.07  19.378% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.020%
          QG1   VAL   18 - HG    LEU   63   9.74 +/- 3.76   6.534% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU   71 - HG    LEU   63   9.98 +/- 2.80  10.484% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU  123 - HG    LEU   63  10.31 +/- 2.98   7.539% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL  108 - HG    LEU   63  15.06 +/- 2.43   0.558% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.842, support = 5.63, residual support = 239.8:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.582% * 63.0834% (1.00  10.0 10.00   5.58 239.87) =  63.659%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  48.968% * 35.7149% (0.57  10.0 10.00   5.74 239.87) =  36.327%  kept
        T QD1   LEU   73 - HG    LEU   63  10.45 +/- 1.97   0.544% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU  104 - HG    LEU   63  10.80 +/- 2.42   0.637% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HG    LEU   63   8.79 +/- 1.39   0.899% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   83 - HG    LEU   63  14.92 +/- 2.58   0.197% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.52 +/- 2.87   0.174% *  0.0505% (0.80   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 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.844, support = 5.68, residual support = 239.9:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  48.814% * 63.5438% (1.00  10.0 10.00   5.74 239.87) =  64.030%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.429% * 35.9756% (0.57  10.0 10.00   5.58 239.87) =  35.965%  kept
        T QD1   LEU   73 - HG    LEU   63  10.45 +/- 1.97   0.542% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   41 - HG    LEU   63  10.97 +/- 2.07   0.504% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU   63   8.79 +/- 1.39   0.896% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  11.88 +/- 2.37   0.389% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  15.57 +/- 3.84   0.252% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.52 +/- 2.87   0.173% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.57, residual support = 238.3:
    *   T HA    LEU   63 - QD1   LEU   63   3.75 +/- 0.40  60.808% * 93.3012% (1.00 10.00   5.60 239.87) =  99.352%  kept
          HB2   HIS   22 - QD1   LEU   73  10.41 +/- 4.65   7.062% *  3.3430% (0.76  1.00   0.94   0.02) =   0.413%  kept
          HB2   HIS   22 - QD1   LEU   63  14.17 +/- 3.94   4.261% *  2.0983% (0.76  1.00   0.59   0.02) =   0.157%  kept
        T HA    LEU   63 - QD1   LEU   73  11.23 +/- 1.94   3.455% *  0.9330% (1.00 10.00   0.02   0.02) =   0.056%
        T HA    LEU   63 - QD1   LEU  104  11.46 +/- 2.23   3.926% *  0.2284% (0.24 10.00   0.02   0.02) =   0.016%
          HA2   GLY  101 - QD1   LEU   73  14.02 +/- 3.34   4.966% *  0.0350% (0.38  1.00   0.02   0.02) =   0.003%
          HA2   GLY  101 - QD1   LEU  104   7.58 +/- 1.25  12.415% *  0.0086% (0.09  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU   63  16.03 +/- 1.78   1.044% *  0.0350% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU  104  17.97 +/- 4.89   2.064% *  0.0175% (0.19  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.996, support = 6.07, residual support = 237.7:
    * O T HB2   LEU   63 - QD1   LEU   63   2.28 +/- 0.18  46.523% * 77.7443% (1.00  10.0 10.00   6.12 239.87) =  99.068%  kept
        T HB2   LEU   63 - QD1   LEU   73  10.49 +/- 2.41   0.865% * 13.6035% (1.00   1.0 10.00   0.35   0.02) =   0.322%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.40 +/- 0.76   7.879% *  1.0036% (0.14   1.0  1.00   1.86  17.37) =   0.217%  kept
          HB2   LEU   31 - QD1   LEU   73   9.45 +/- 4.23   1.894% *  3.6803% (0.90   1.0  1.00   1.06   0.41) =   0.191%  kept
          HG    LEU   98 - QD1   LEU  104   5.50 +/- 1.03   4.287% *  0.9262% (0.20   1.0  1.00   1.22  10.11) =   0.109%  kept
          HB3   ASP-  44 - QD1   LEU   63   6.72 +/- 3.01  16.073% *  0.0762% (0.98   1.0  1.00   0.02   0.02) =   0.034%
        T HB3   LEU   80 - QD1   LEU   73  10.33 +/- 3.55   1.215% *  0.7620% (0.98   1.0 10.00   0.02   0.02) =   0.025%
          HB3   ASP-  44 - QD1   LEU   73   7.43 +/- 2.42   4.297% *  0.0762% (0.98   1.0  1.00   0.02   4.04) =   0.009%
        T HB3   LEU   80 - QD1   LEU   63  15.21 +/- 3.28   0.253% *  0.7620% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LEU   63 - QD1   LEU  104  11.16 +/- 2.06   0.704% *  0.1903% (0.24   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QD1   LEU   73  10.24 +/- 2.95   1.655% *  0.0623% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD1   LEU   63   9.88 +/- 3.09   1.274% *  0.0503% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU   63  11.53 +/- 2.40   0.881% *  0.0623% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD1   LEU   63  13.23 +/- 3.66   0.756% *  0.0697% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   73  11.47 +/- 2.71   0.770% *  0.0503% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   63  12.81 +/- 2.67   0.541% *  0.0697% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.44 +/- 1.48   0.599% *  0.0534% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   80 - QD1   LEU  104  17.36 +/- 3.69   0.171% *  0.1865% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   63  13.74 +/- 2.74   0.383% *  0.0649% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   63  12.78 +/- 2.12   0.393% *  0.0440% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.82 +/- 2.61   0.318% *  0.0534% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  11.42 +/- 3.20   0.930% *  0.0171% (0.22   1.0  1.00   0.02   0.11) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.21 +/- 5.31   0.880% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  13.41 +/- 2.18   0.339% *  0.0440% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.13 +/- 4.24   0.196% *  0.0649% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.40 +/- 2.67   0.661% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  11.83 +/- 1.87   0.479% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  18.23 +/- 3.37   0.128% *  0.0697% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.37 +/- 2.69   0.695% *  0.0120% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  14.10 +/- 1.85   0.238% *  0.0349% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  11.11 +/- 2.77   0.679% *  0.0120% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  15.27 +/- 2.45   0.214% *  0.0349% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  11.19 +/- 1.38   0.482% *  0.0085% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.52 +/- 0.64   1.364% *  0.0029% (0.04   1.0  1.00   0.02   0.11) =   0.000%
          QB    ALA   88 - QD1   LEU   63  14.92 +/- 2.87   0.282% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  14.94 +/- 1.41   0.202% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.32 +/- 1.97   0.186% *  0.0131% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.89 +/- 2.57   0.122% *  0.0159% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  14.83 +/- 1.74   0.194% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.995, support = 5.71, residual support = 234.0:
    * O T HB3   LEU   63 - QD1   LEU   63   2.61 +/- 0.35  35.089% * 69.3980% (1.00  10.0 10.00   5.83 239.87) =  97.567%  kept
          QG1   VAL   18 - QD1   LEU   73   8.49 +/- 5.53   8.704% *  3.4065% (0.69   1.0  1.00   1.43   0.59) =   1.188%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.61 +/- 2.37   0.997% * 26.3501% (1.00   1.0 10.00   0.76   0.02) =   1.053%  kept
          QD1   LEU   71 - QD1   LEU   63   8.62 +/- 2.45   9.645% *  0.3446% (0.34   1.0  1.00   0.29   0.02) =   0.133%  kept
          QG1   VAL   70 - QD1   LEU   63   4.93 +/- 1.96  16.046% *  0.0393% (0.57   1.0  1.00   0.02   0.02) =   0.025%
          QD1   LEU  123 - QD1   LEU   63   8.50 +/- 2.80   9.105% *  0.0237% (0.34   1.0  1.00   0.02   0.02) =   0.009%
          QD1   LEU   71 - QD1   LEU   73   8.03 +/- 1.50   7.716% *  0.0237% (0.34   1.0  1.00   0.02   2.12) =   0.007%
        T HB3   LEU   63 - QD1   LEU  104  10.77 +/- 2.29   0.809% *  0.1699% (0.24   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   18 - QD1   LEU   63   8.04 +/- 2.62   2.829% *  0.0477% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   70 - QD1   LEU   73   8.36 +/- 1.03   1.378% *  0.0393% (0.57   1.0  1.00   0.02   0.85) =   0.002%
          QG1   VAL  108 - QD1   LEU   73  13.27 +/- 2.95   0.684% *  0.0449% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   7.42 +/- 1.67   2.760% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   63  11.92 +/- 2.59   0.584% *  0.0449% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   73  14.62 +/- 3.02   0.422% *  0.0237% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   8.89 +/- 1.72   1.644% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  11.96 +/- 2.68   0.457% *  0.0117% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  11.41 +/- 4.10   0.777% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.33 +/- 0.49   0.354% *  0.0110% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 5.0, residual support = 210.5:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  65.102% * 53.7704% (1.00  10.0 10.00   5.58 239.87) =  87.695%  kept
        T QG2   VAL   24 - QD1   LEU   63  11.76 +/- 4.63  16.703% * 24.1419% (0.97   1.0 10.00   0.93   1.19) =  10.102%  kept
        T QG2   VAL   24 - QD1   LEU   73   7.95 +/- 3.22   3.978% * 18.8840% (0.97   1.0 10.00   0.73   0.43) =   1.882%  kept
        T QG1   VAL  107 - QD1   LEU   63   7.35 +/- 2.30   5.301% *  2.2118% (0.15   1.0 10.00   0.53   0.24) =   0.294%  kept
        T HG    LEU   63 - QD1   LEU   73  10.45 +/- 1.97   0.724% *  0.5377% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QG2   VAL   24 - QD1   LEU  104  13.20 +/- 4.05   2.418% *  0.1270% (0.24   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   VAL  107 - QD1   LEU   73  11.12 +/- 3.19   2.085% *  0.0830% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   63 - QD1   LEU  104  10.80 +/- 2.42   0.819% *  0.1316% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - QD1   LEU   63  10.81 +/- 2.78   1.003% *  0.0411% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  15.71 +/- 4.00   0.754% *  0.0411% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL  107 - QD1   LEU  104   8.92 +/- 0.99   0.957% *  0.0203% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.56 +/- 2.21   0.156% *  0.0101% (0.19   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 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.77, residual support = 239.9:
    *   T HA    LEU   63 - QD2   LEU   63   2.74 +/- 0.59  97.341% * 99.6696% (1.00 10.00   5.77 239.87) =  99.994%  kept
          HB2   HIS   22 - QD2   LEU   63  15.23 +/- 3.44   1.774% *  0.2930% (0.76  1.00   0.08   0.02) =   0.005%
          HA2   GLY  101 - QD2   LEU   63  15.62 +/- 2.29   0.885% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.20 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 6.24, residual support = 239.7:
    * O T HB2   LEU   63 - QD2   LEU   63   3.10 +/- 0.24  62.620% * 98.3391% (1.00  10.0 10.00   6.25 239.87) =  99.944%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.33 +/- 2.59  16.447% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.026%
        T HB3   LEU   80 - QD2   LEU   63  15.42 +/- 2.63   0.614% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          HB3   PRO   93 - QD2   LEU   63  10.72 +/- 3.21   5.354% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   31 - QD2   LEU   63  13.26 +/- 4.00   3.118% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QD2   LEU   63  11.38 +/- 2.71   2.286% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  124 - QD2   LEU   63  12.86 +/- 3.04   1.695% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - QD2   LEU   63  14.68 +/- 3.08   1.477% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD2   LEU   63  12.24 +/- 2.51   1.609% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   63  14.16 +/- 2.06   0.817% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   63  14.54 +/- 2.73   1.042% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   63  11.45 +/- 2.97   2.193% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   63  15.32 +/- 2.60   0.727% *  0.0172% (0.18   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 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 239.8:
    * O T HB3   LEU   63 - QD2   LEU   63   2.36 +/- 0.26  52.655% * 99.7424% (1.00  10.0 10.00   5.95 239.87) =  99.953%  kept
          QG1   VAL   70 - QD2   LEU   63   3.85 +/- 1.85  31.545% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.034%
          QG1   VAL   18 - QD2   LEU   63   8.40 +/- 3.17   3.915% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - QD2   LEU   63   8.26 +/- 2.19   5.697% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - QD2   LEU   63   8.86 +/- 2.97   5.564% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  108 - QD2   LEU   63  12.54 +/- 2.57   0.623% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 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 = 0.992, support = 5.5, residual support = 229.2:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  74.657% * 80.1255% (1.00  10.0 10.00   5.74 239.87) =  95.549%  kept
        T QG2   VAL   24 - QD2   LEU   63  12.27 +/- 4.64  16.758% * 13.7866% (0.97   1.0 10.00   0.36   1.19) =   3.690%  kept
        T QG1   VAL  107 - QD2   LEU   63   7.95 +/- 2.53   7.900% *  6.0267% (0.15   1.0 10.00   0.97   0.24) =   0.760%  kept
          HG3   LYS+ 112 - QD2   LEU   63  11.91 +/- 2.74   0.685% *  0.0612% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.13 +/- 0.02  99.522% * 99.9825% (1.00  10.0 10.00   2.00  20.61) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  13.49 +/- 1.86   0.478% *  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 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.925, support = 2.16, residual support = 23.6:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.02  73.205% * 72.6945% (1.00  10.0 10.00   2.00  20.61) =  88.030%  kept
        T HB2   PHE   72 - QB    ALA   64   3.88 +/- 1.24  26.521% * 27.2831% (0.38   1.0 10.00   3.36  45.90) =  11.969%  kept
          HB3   ASN   35 - QB    ALA   64  15.28 +/- 1.74   0.274% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.5, residual support = 157.1:
    * O T QB    LYS+  65 - HA    LYS+  65   2.30 +/- 0.15  82.060% * 86.0241% (0.92  10.0 10.00   6.52 158.79) =  98.704%  kept
          QB    LYS+  66 - HA    LYS+  65   5.33 +/- 0.20   6.838% * 13.4861% (0.52   1.0  1.00   5.54  29.88) =   1.289%  kept
          HB2   LEU   71 - HA    LYS+  65  10.87 +/- 2.65   2.314% *  0.0858% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - HA    LYS+  65  13.87 +/- 5.66   2.626% *  0.0522% (0.56   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HA    LYS+  65  16.11 +/- 4.71   0.957% *  0.0719% (0.77   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HA    LYS+ 121  15.49 +/- 2.10   0.477% *  0.0971% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LYS+  65  14.21 +/- 2.13   0.473% *  0.0323% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  19.83 +/- 2.04   0.154% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.74 +/- 6.57   1.210% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  14.97 +/- 4.02   0.963% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  18.19 +/- 2.70   0.237% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  17.16 +/- 6.41   0.460% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.86 +/- 5.55   0.443% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  19.60 +/- 2.03   0.156% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  18.77 +/- 5.49   0.278% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  17.77 +/- 5.89   0.355% *  0.0024% (0.03   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 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.814, support = 5.67, residual support = 167.3:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.30 +/- 0.72  25.697% * 53.0514% (0.92  10.0 10.00   5.40 158.79) =  82.555%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.68 +/- 0.68  19.887% *  5.9339% (0.10   1.0 10.00   7.69 313.78) =   7.146%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.57 +/- 0.63   2.784% * 38.5232% (0.67   1.0 10.00   5.45  29.88) =   6.495%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.59 +/- 0.20  41.690% *  1.4928% (0.03  10.0 10.00   8.22 313.78) =   3.769%  kept
        T HD3   LYS+  74 - HA    LYS+  65  10.00 +/- 4.27   3.697% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.018%
        T HD2   LYS+ 121 - HA    LYS+  65  17.04 +/- 2.55   0.177% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - HA    LYS+  65   9.67 +/- 3.30   1.871% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.005%
          QG2   THR   26 - HA    LYS+  65  13.83 +/- 3.44   0.494% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 121 - HA    LYS+  65  17.15 +/- 2.30   0.191% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  66 - HA    LYS+ 121  15.92 +/- 4.89   0.553% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  18.15 +/- 2.10   0.150% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    LYS+  65  13.09 +/- 1.73   0.376% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  20.64 +/- 6.30   0.515% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.49 +/- 2.88   0.175% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.58 +/- 3.04   0.152% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  14.69 +/- 7.06   0.683% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  22.00 +/- 3.13   0.082% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  16.74 +/- 6.13   0.555% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.74 +/- 3.53   0.098% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.56 +/- 1.55   0.175% *  0.0010% (0.02   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 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.911, support = 5.29, residual support = 160.7:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.21 +/- 0.61  46.452% * 94.0974% (0.92  10.0 10.00   5.27 158.79) =  98.695%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.15 +/- 0.71  26.493% *  2.1015% (0.02   1.0 10.00   6.68 313.78) =   1.257%  kept
        T HG3   LYS+  33 - HA    LYS+  65  17.24 +/- 3.25   0.400% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.008%
          HB3   LEU   73 - HA    LYS+  65  10.38 +/- 2.67   3.637% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 106 - HA    LYS+  65  17.94 +/- 3.04   0.382% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HB    VAL   42 - HA    LYS+  65  10.31 +/- 1.60   1.728% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    LYS+  65  23.50 +/- 2.19   0.144% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HA    LYS+  65   9.69 +/- 3.35   6.272% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - HA    LYS+ 121  15.04 +/- 4.87   1.036% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LYS+  65  16.19 +/- 4.66   1.296% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - HA    LYS+ 121  23.30 +/- 7.11   0.785% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    LYS+  65  14.34 +/- 4.45   2.743% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  17.78 +/- 2.88   0.399% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HA    LYS+ 121  20.77 +/- 7.32   0.664% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    LYS+  65  16.74 +/- 2.62   0.461% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    LYS+ 121  18.20 +/- 2.13   0.312% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  65  14.52 +/- 2.30   0.765% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+  65  17.18 +/- 3.55   0.724% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  15.97 +/- 4.50   0.958% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  16.58 +/- 2.44   0.442% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  23.15 +/- 7.44   0.751% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.91 +/- 1.28   0.465% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  15.94 +/- 5.11   0.922% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.85 +/- 4.46   0.401% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  18.23 +/- 6.02   0.615% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  18.60 +/- 1.58   0.317% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.60 +/- 3.77   0.282% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  22.87 +/- 1.97   0.157% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.8, support = 5.33, residual support = 180.3:
    *   T QD    LYS+  65 - HA    LYS+  65   3.52 +/- 0.60  30.979% * 84.9226% (0.92   1.0 10.00   4.86 158.79) =  85.048%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.11  46.608% *  9.5623% (0.10  10.0 10.00   8.30 313.78) =  14.408%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.90 +/- 0.70   6.754% *  2.2844% (0.04   1.0 10.00   1.40   2.86) =   0.499%  kept
          HD2   LYS+  74 - HA    LYS+  65   9.64 +/- 3.98   7.536% *  0.0481% (0.52   1.0  1.00   0.02   0.02) =   0.012%
        T HB2   LYS+ 121 - HA    LYS+  65  16.44 +/- 2.00   0.356% *  0.8473% (0.92   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  38 - HA    LYS+  65  17.33 +/- 1.94   0.287% *  0.7839% (0.85   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LEU  123 - HA    LYS+  65  18.02 +/- 3.16   0.285% *  0.2897% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HA    LYS+  65  21.83 +/- 4.03   0.315% *  0.2118% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HA    LYS+  65  21.50 +/- 2.18   0.134% *  0.4808% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HA    LYS+ 121  16.71 +/- 2.50   0.639% *  0.0958% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HA    LYS+  65  21.17 +/- 3.97   0.382% *  0.1310% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HA    LYS+  65  10.62 +/- 2.51   2.086% *  0.0236% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    LYS+  65  15.99 +/- 4.81   1.123% *  0.0319% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  65  18.60 +/- 3.91   0.317% *  0.0842% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HA    LYS+ 121  18.60 +/- 6.71   0.480% *  0.0543% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 121  20.71 +/- 6.41   0.287% *  0.0885% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.78 +/- 1.66   0.197% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  18.15 +/- 1.41   0.215% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.53 +/- 2.57   0.607% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.60 +/- 2.95   0.140% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.29 +/- 2.38   0.197% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.07 +/- 2.96   0.075% *  0.0095% (0.10   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 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 158.7:
    *   T QE    LYS+  65 - HA    LYS+  65   4.41 +/- 0.52  75.640% * 97.2340% (0.92 10.00   4.87 158.79) =  99.940%  kept
        T QE    LYS+  33 - HA    LYS+  65  16.02 +/- 3.55   2.254% *  0.8720% (0.83 10.00   0.02   0.02) =   0.027%
        T HB2   ASN   28 - HA    LYS+  65  19.63 +/- 2.99   1.135% *  0.9384% (0.89 10.00   0.02   0.02) =   0.014%
        T HB2   ASN   35 - HA    LYS+  65  20.54 +/- 2.60   0.881% *  0.5898% (0.56 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  33 - HA    LYS+ 121  21.53 +/- 6.38   2.738% *  0.0984% (0.09 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    LYS+ 121  17.29 +/- 2.40   2.220% *  0.1097% (0.10 10.00   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HA    LYS+  65  17.92 +/- 5.04   5.085% *  0.0365% (0.35  1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    LYS+  65  20.66 +/- 4.10   1.248% *  0.0898% (0.85  1.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HA    LYS+ 121  26.34 +/- 8.72   6.813% *  0.0106% (0.10  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    LYS+ 121  24.81 +/- 6.79   1.128% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  26.22 +/- 3.99   0.475% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  27.09 +/- 2.69   0.383% *  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 = 6.51, residual support = 158.8:
    * O T HA    LYS+  65 - QB    LYS+  65   2.30 +/- 0.15  89.709% * 98.7802% (0.92  10.0 10.00   6.52 158.79) =  99.989%  kept
        T HA    LYS+ 121 - QB    LYS+  65  15.49 +/- 2.10   0.522% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - QB    LYS+  65  14.72 +/- 5.67   1.851% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QB    LYS+  65  13.98 +/- 3.96   2.035% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QB    LYS+  65  14.02 +/- 4.62   1.567% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QB    LYS+  65  15.13 +/- 3.61   1.447% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  14.36 +/- 2.07   0.515% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QB    LYS+  65  15.61 +/- 3.84   0.834% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  13.53 +/- 1.80   0.904% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  19.94 +/- 3.31   0.197% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  20.99 +/- 4.36   0.236% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  19.29 +/- 1.86   0.185% *  0.0212% (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 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 = 5.77, residual support = 147.0:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.31 +/- 0.13  78.965% * 57.5064% (1.00  10.0 10.00   5.81 158.79) =  90.867%  kept
        T QD    LYS+  66 - QB    LYS+  65   5.52 +/- 0.96  10.917% * 41.7582% (0.73   1.0 10.00   5.35  29.88) =   9.123%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.37 +/- 2.37   0.518% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QB    LYS+  65   9.55 +/- 2.65   2.078% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QB    LYS+  65   9.49 +/- 3.54   4.614% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QB    LYS+  65  13.19 +/- 2.65   0.686% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QB    LYS+  65  12.70 +/- 1.75   0.759% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.45 +/- 2.32   0.676% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  16.36 +/- 2.81   0.467% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.17 +/- 2.59   0.320% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 158.7:
    * O T QD    LYS+  65 - QB    LYS+  65   2.15 +/- 0.15  86.756% * 97.4795% (1.00  10.0 10.00   5.27 158.79) =  99.970%  kept
        T HG3   PRO   93 - QB    LYS+  65  13.73 +/- 4.82   4.432% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.019%
        T QD    LYS+  38 - QB    LYS+  65  16.53 +/- 2.03   0.239% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - QB    LYS+  65  18.35 +/- 3.75   0.719% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - QB    LYS+  65   9.34 +/- 3.20   2.915% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - QB    LYS+  65  17.81 +/- 3.66   0.889% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QB    LYS+  65  19.84 +/- 1.96   0.140% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  65   8.51 +/- 2.05   2.695% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+  65  13.80 +/- 2.00   0.529% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QB    LYS+  65  17.35 +/- 3.49   0.304% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  14.78 +/- 2.72   0.383% *  0.0333% (0.34   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 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 158.8:
    *   T QE    LYS+  65 - QB    LYS+  65   3.17 +/- 0.49  92.218% * 98.8300% (1.00 10.00   5.39 158.79) =  99.985%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.52 +/- 2.63   1.164% *  0.8863% (0.90 10.00   0.02   0.02) =   0.011%
          HB2   ASP-  78 - QB    LYS+  65  16.32 +/- 4.80   4.586% *  0.0371% (0.38  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  86 - QB    LYS+  65  19.15 +/- 3.66   0.885% *  0.0912% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - QB    LYS+  65  18.53 +/- 2.81   0.586% *  0.0954% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+  65  19.60 +/- 2.25   0.560% *  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 = 5.39, residual support = 158.7:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.30 +/- 0.72  76.773% * 97.8884% (0.92  10.0 10.00   5.40 158.79) =  99.964%  kept
        T HA    ALA  120 - HG2   LYS+  65  16.85 +/- 2.02   0.855% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.011%
          QB    SER   48 - HG2   LYS+  65  16.15 +/- 5.29   7.819% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - HG2   LYS+  65  18.15 +/- 2.10   0.661% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - HG2   LYS+  65  16.20 +/- 6.20   3.299% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - HG2   LYS+  65  16.66 +/- 4.57   2.597% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HG2   LYS+  65  17.92 +/- 4.74   3.163% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HG2   LYS+  65  17.51 +/- 4.39   2.166% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  22.93 +/- 3.85   0.416% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HG2   LYS+  65  16.07 +/- 2.42   1.398% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  21.51 +/- 2.49   0.414% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  24.31 +/- 4.95   0.439% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.06 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.955, support = 5.66, residual support = 145.3:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.31 +/- 0.13  75.806% * 63.6862% (1.00  10.0 10.00   5.81 158.79) =  89.554%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.37 +/- 1.34  15.608% * 36.0562% (0.57   1.0 10.00   4.42  29.88) =  10.439%  kept
          HB3   GLN   17 - HG2   LYS+  65  14.12 +/- 5.29   4.663% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   93 - HG2   LYS+  65  16.41 +/- 5.57   2.112% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG2   LYS+  65  12.44 +/- 3.07   1.218% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG2   LYS+  65  16.01 +/- 2.36   0.311% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.20 +/- 2.30   0.113% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  19.75 +/- 2.93   0.169% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.64, residual support = 158.7:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.41 +/- 0.15  85.281% * 96.4735% (1.00  10.0 10.00   4.64 158.79) =  99.958%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  10.93 +/- 3.69   4.305% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.029%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.31 +/- 2.09   0.379% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HG3   PRO   93 - HG2   LYS+  65  16.33 +/- 5.64   6.365% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG2   LYS+  65  18.53 +/- 2.13   0.222% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG2   LYS+  65  21.58 +/- 4.33   0.421% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.00 +/- 4.29   0.468% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  65  22.85 +/- 2.42   0.113% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  65  10.10 +/- 2.12   1.893% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  65  20.05 +/- 3.99   0.209% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  17.21 +/- 2.82   0.345% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 158.8:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.48 +/- 0.46  97.221% * 98.8300% (1.00  10.0 10.00   4.56 158.79) =  99.993%  kept
        T QE    LYS+  33 - HG2   LYS+  65  17.26 +/- 3.53   0.599% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.006%
          HB2   ASP-  78 - HG2   LYS+  65  18.72 +/- 5.53   1.180% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  20.50 +/- 3.76   0.355% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  22.14 +/- 4.12   0.291% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  21.92 +/- 2.65   0.355% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.922, support = 4.85, residual support = 158.7:
    *   T HA    LYS+  65 - QD    LYS+  65   3.52 +/- 0.60  38.558% * 96.9449% (0.92 10.00   4.86 158.79) =  99.921%  kept
          QB    SER   48 - QD    LYS+  65  14.08 +/- 5.43   9.014% *  0.0803% (0.76  1.00   0.02   0.02) =   0.019%
        T HA    LYS+ 121 - QD    LYS+  65  16.71 +/- 2.50   1.046% *  0.5946% (0.57 10.00   0.02   0.02) =   0.017%
          HA2   GLY   16 - QD    LYS+  65  15.42 +/- 5.73   2.024% *  0.1014% (0.97  1.00   0.02   0.02) =   0.005%
          HB    THR   94 - QD    LYS+  65  15.06 +/- 4.43   3.009% *  0.0679% (0.65  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HD3   LYS+ 111  21.83 +/- 4.03   0.510% *  0.2400% (0.23 10.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QD    LYS+ 102  18.60 +/- 6.71   0.713% *  0.1503% (0.14 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HD2   LYS+ 111  21.17 +/- 3.97   0.600% *  0.1485% (0.14 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - QD    LYS+  38  17.33 +/- 1.94   0.456% *  0.1771% (0.17 10.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QD    LYS+  65  15.55 +/- 2.22   0.751% *  0.0993% (0.95  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QD    LYS+  65  15.95 +/- 4.36   1.456% *  0.0511% (0.49  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - QD    LYS+ 102  21.50 +/- 2.18   0.209% *  0.2450% (0.23 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    LYS+  65  15.66 +/- 4.02   1.383% *  0.0358% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+ 111  18.78 +/- 1.66   0.331% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - QD    LYS+  38  20.71 +/- 6.41   0.418% *  0.1086% (0.10 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  18.15 +/- 1.41   0.358% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+ 111  16.65 +/- 4.81   1.560% *  0.0199% (0.19  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD    LYS+  65  14.65 +/- 2.21   1.165% *  0.0262% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+  65  20.34 +/- 3.96   0.287% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HD3   LYS+ 111  14.40 +/- 4.81   2.592% *  0.0089% (0.08  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD2   LYS+ 111  16.35 +/- 4.74   1.763% *  0.0123% (0.12  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HD3   LYS+ 111   9.61 +/- 1.69   3.142% *  0.0065% (0.06  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+ 111  13.79 +/- 2.40   1.166% *  0.0168% (0.16  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 111  13.02 +/- 2.81   1.775% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  15.78 +/- 5.01   0.939% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.47 +/- 1.63   4.515% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  16.06 +/- 4.38   1.191% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.30 +/- 4.11   0.587% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   9.08 +/- 1.53   3.566% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  22.92 +/- 3.57   0.513% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  17.10 +/- 1.25   0.421% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  21.60 +/- 3.30   0.401% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  22.51 +/- 6.24   0.380% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.31 +/- 4.33   1.706% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.24 +/- 1.50   0.488% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  21.08 +/- 5.04   0.310% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  21.12 +/- 3.57   0.486% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.60 +/- 1.39   0.477% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  20.16 +/- 3.99   2.483% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.70 +/- 3.72   1.475% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.06 +/- 3.83   0.832% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  22.32 +/- 5.90   0.311% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  21.60 +/- 5.12   0.303% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  19.96 +/- 2.06   0.264% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  15.13 +/- 4.09   1.014% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.80 +/- 4.32   0.454% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  22.40 +/- 2.82   0.205% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.77 +/- 2.77   0.066% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  17.31 +/- 3.04   0.449% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  27.97 +/- 3.66   0.221% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.32 +/- 1.63   0.206% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  24.66 +/- 2.82   0.174% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  18.31 +/- 3.68   0.470% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  30.70 +/- 4.84   0.077% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  29.88 +/- 4.84   0.085% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  21.15 +/- 2.99   0.219% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  29.40 +/- 3.05   0.091% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  28.13 +/- 3.19   0.117% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  24.89 +/- 2.67   0.143% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  30.99 +/- 2.76   0.072% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.14 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.873, support = 5.16, residual support = 156.9:
    * O T QB    LYS+  65 - QD    LYS+  65   2.15 +/- 0.15  41.049% * 69.4223% (1.00  10.0 10.00   5.27 158.79) =  82.627%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.36 +/- 0.24  31.807% * 17.1993% (0.25  10.0 10.00   4.75 159.83) =  15.862%  kept
          QB    LYS+  66 - QD    LYS+  65   5.13 +/- 1.02   4.717% *  8.6501% (0.57   1.0  1.00   4.40  29.88) =   1.183%  kept
        T HG2   PRO   93 - HD2   LYS+ 111  10.52 +/- 5.13   9.549% *  0.8395% (0.13   1.0 10.00   0.19   0.02) =   0.232%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.69 +/- 1.19   2.206% *  0.8505% (0.06   1.0  1.00   3.89  23.56) =   0.054%
        T HG2   PRO   93 - QD    LYS+  65  14.80 +/- 5.35   1.671% *  0.5799% (0.84   1.0 10.00   0.02   0.02) =   0.028%
        T QB    LYS+ 102 - QD    LYS+  38  11.71 +/- 3.16   0.514% *  0.1243% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - QD    LYS+  65  19.53 +/- 2.06   0.061% *  0.6805% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65  13.53 +/- 4.70   0.905% *  0.0421% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD3   LYS+ 111  11.23 +/- 4.82   2.595% *  0.0144% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD3   LYS+ 111  18.35 +/- 3.75   0.209% *  0.1719% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  65  15.11 +/- 1.97   0.134% *  0.2605% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  65  12.26 +/- 2.62   0.491% *  0.0693% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+ 102  11.07 +/- 2.25   0.512% *  0.0659% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD2   LYS+ 111  17.81 +/- 3.66   0.245% *  0.1063% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  10.60 +/- 1.38   0.421% *  0.0476% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+ 102  21.10 +/- 2.81   0.107% *  0.1466% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  16.53 +/- 2.03   0.113% *  0.1268% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.75 +/- 2.68   1.092% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  19.84 +/- 1.96   0.064% *  0.1755% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.96 +/- 1.98   0.041% *  0.1042% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  24.83 +/- 2.29   0.032% *  0.1059% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  16.59 +/- 2.38   0.112% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  18.25 +/- 2.69   0.090% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.99 +/- 2.30   0.036% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  15.01 +/- 3.02   0.196% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  19.30 +/- 4.34   0.124% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  16.72 +/- 3.86   0.125% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.53 +/- 5.07   0.071% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.82 +/- 4.09   0.125% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  19.12 +/- 2.70   0.073% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  14.59 +/- 2.57   0.218% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  22.57 +/- 2.38   0.039% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.19 +/- 3.93   0.032% *  0.0171% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.48 +/- 3.77   0.035% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  28.45 +/- 4.35   0.024% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  20.75 +/- 2.65   0.051% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.79 +/- 2.44   0.033% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.68 +/- 4.25   0.026% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.02 +/- 2.30   0.055% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.949, support = 4.6, residual support = 149.0:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.41 +/- 0.15  42.502% * 54.0927% (1.00  10.0 10.00   4.64 158.79) =  87.303%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.53 +/- 1.53   6.928% * 39.2794% (0.73   1.0 10.00   4.19  29.88) =  10.333%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.60 +/- 0.47  15.474% *  2.3452% (0.04  10.0  1.00   5.18 315.03) =   1.378%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.46 +/- 0.49  16.893% *  1.4512% (0.03  10.0  1.00   5.18 315.03) =   0.931%  kept
        T HB2   LYS+  74 - QD    LYS+  65  10.13 +/- 3.21   1.153% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.020%
        T HD3   LYS+  74 - QD    LYS+  65   9.87 +/- 4.10   2.991% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.009%
        T HD2   LYS+ 121 - QD    LYS+  65  15.67 +/- 2.78   0.445% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.009%
        T HD2   LYS+ 121 - QD    LYS+ 102  17.44 +/- 6.82   0.600% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LYS+ 121 - QD    LYS+  65  15.72 +/- 2.81   0.597% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  65 - HD3   LYS+ 111  21.58 +/- 4.33   0.188% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+  65  13.56 +/- 3.10   0.364% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  17.76 +/- 2.78   0.145% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - QD    LYS+  38  15.92 +/- 3.25   0.255% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.00 +/- 4.29   0.219% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD    LYS+ 102  17.17 +/- 6.37   0.531% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  18.11 +/- 3.37   0.204% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+ 102  16.56 +/- 4.63   1.147% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  20.01 +/- 5.41   0.156% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HD3   LYS+ 111  20.32 +/- 4.45   0.132% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  20.13 +/- 3.81   0.116% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  18.53 +/- 2.13   0.110% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.06 +/- 1.34   3.143% *  0.0034% (0.06   1.0  1.00   0.02   0.32) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.12 +/- 4.55   0.080% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  22.85 +/- 2.42   0.055% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  19.80 +/- 5.92   0.220% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  13.99 +/- 2.25   0.380% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  17.37 +/- 3.60   0.415% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  17.75 +/- 1.67   0.117% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   7.72 +/- 1.16   1.659% *  0.0022% (0.04   1.0  1.00   0.02   0.49) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.76 +/- 1.45   0.277% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  19.93 +/- 3.76   0.174% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  21.00 +/- 5.16   0.114% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  17.57 +/- 2.75   0.138% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.92 +/- 2.39   0.083% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  17.05 +/- 2.31   0.150% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  12.38 +/- 2.51   0.461% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  12.54 +/- 1.71   0.348% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.62 +/- 2.29   0.085% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.87 +/- 4.24   0.133% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  23.78 +/- 3.71   0.056% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  21.44 +/- 4.59   0.091% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  23.30 +/- 3.64   0.059% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  17.05 +/- 1.46   0.127% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  22.15 +/- 2.86   0.070% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  21.69 +/- 2.91   0.073% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  20.35 +/- 5.20   0.132% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  21.45 +/- 2.53   0.073% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.56 +/- 2.89   0.049% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.82 +/- 2.58   0.052% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.55 +/- 2.76   0.038% *  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 = 4.22, residual support = 158.8:
    * O T QE    LYS+  65 - QD    LYS+  65   2.09 +/- 0.04  86.947% * 97.0780% (1.00  10.0 10.00   4.22 158.79) =  99.986%  kept
        T QE    LYS+  65 - HD3   LYS+ 111  19.94 +/- 4.96   1.080% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - QD    LYS+  65  16.18 +/- 3.11   0.269% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - QD    LYS+  38   9.51 +/- 1.34   1.135% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HD2   LYS+ 111  19.48 +/- 4.87   1.207% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - QD    LYS+ 102  15.56 +/- 3.79   0.370% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QD    LYS+  65  16.36 +/- 5.74   1.069% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   6.70 +/- 1.09   3.391% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  17.65 +/- 2.53   0.184% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  21.70 +/- 2.30   0.087% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  19.74 +/- 4.30   0.192% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  18.97 +/- 3.04   0.159% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  15.91 +/- 5.16   0.552% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  14.39 +/- 3.92   0.761% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  14.95 +/- 2.87   0.603% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.42 +/- 2.82   0.038% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  20.29 +/- 2.49   0.137% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  27.76 +/- 2.68   0.041% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.23 +/- 4.38   0.216% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  21.81 +/- 6.56   0.441% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  21.29 +/- 6.72   0.494% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.30 +/- 3.19   0.102% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  21.00 +/- 3.69   0.118% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  21.66 +/- 3.43   0.128% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  23.49 +/- 3.10   0.091% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.16 +/- 4.06   0.036% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  29.48 +/- 4.07   0.038% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  24.87 +/- 2.91   0.064% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.51 +/- 2.97   0.025% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  31.72 +/- 2.84   0.027% *  0.0090% (0.09   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 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.876, support = 4.79, residual support = 150.6:
    *   T HA    LYS+  65 - QE    LYS+  65   4.41 +/- 0.52  35.493% * 88.0388% (0.92 10.00   4.87 158.79) =  94.271%  kept
        T HA    GLN   32 - QE    LYS+  33   6.65 +/- 1.53  19.182% *  9.7024% (0.10 10.00   3.62  15.57) =   5.615%  kept
          QB    SER   48 - QE    LYS+  65  14.59 +/- 5.71  10.574% *  0.0729% (0.76  1.00   0.02   0.02) =   0.023%
        T HA    LYS+ 121 - QE    LYS+  65  17.29 +/- 2.40   1.131% *  0.5399% (0.57 10.00   0.02   0.02) =   0.018%
          HA2   GLY   16 - QE    LYS+  33  12.52 +/- 5.36  10.936% *  0.0473% (0.50  1.00   0.02   0.02) =   0.016%
        T HA    LYS+  65 - QE    LYS+  33  16.02 +/- 3.55   1.000% *  0.4526% (0.47 10.00   0.02   0.02) =   0.014%
          HA2   GLY   16 - QE    LYS+  65  15.17 +/- 5.61   3.678% *  0.0920% (0.97  1.00   0.02   0.02) =   0.010%
        T HA    LYS+ 121 - QE    LYS+  33  21.53 +/- 6.38   1.130% *  0.2776% (0.29 10.00   0.02   0.02) =   0.009%
          HB    THR   94 - QE    LYS+  65  16.09 +/- 4.33   2.422% *  0.0617% (0.65  1.00   0.02   0.02) =   0.005%
          HD2   PRO   52 - QE    LYS+  65  16.15 +/- 4.38   4.318% *  0.0325% (0.34  1.00   0.02   0.02) =   0.004%
          HA2   GLY   51 - QE    LYS+  65  16.28 +/- 4.67   2.653% *  0.0464% (0.49  1.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - QE    LYS+  65  20.32 +/- 2.62   0.432% *  0.1887% (0.20 10.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QE    LYS+  65  16.04 +/- 1.92   0.892% *  0.0902% (0.95  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QE    LYS+  33  22.70 +/- 6.20   1.244% *  0.0464% (0.49  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QE    LYS+  65  21.23 +/- 4.05   0.495% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QE    LYS+  65  15.29 +/- 2.48   1.653% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  21.53 +/- 4.23   0.380% *  0.0473% (0.50  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QE    LYS+  33  22.91 +/- 3.68   0.353% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  20.70 +/- 1.96   0.382% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.62 +/- 5.02   0.566% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  21.45 +/- 3.44   0.514% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.67 +/- 3.58   0.160% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.54 +/- 3.03   0.175% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  24.37 +/- 3.34   0.236% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.07 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.983, support = 5.34, residual support = 153.7:
    *   T QB    LYS+  65 - QE    LYS+  65   3.17 +/- 0.49  51.818% * 88.0969% (1.00 10.00   5.39 158.79) =  96.089%  kept
          QB    LYS+  66 - QE    LYS+  65   5.82 +/- 1.48  16.910% * 10.8851% (0.57  1.00   4.36  29.88) =   3.874%  kept
          HB3   GLN   17 - QE    LYS+  65  13.36 +/- 4.89   7.360% *  0.0534% (0.61  1.00   0.02   0.02) =   0.008%
        T QB    LYS+  65 - QE    LYS+  33  15.52 +/- 2.63   0.654% *  0.4529% (0.51 10.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - QE    LYS+  65  12.62 +/- 3.04   3.294% *  0.0879% (1.00  1.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - QE    LYS+  33   9.94 +/- 3.37   6.126% *  0.0452% (0.51  1.00   0.02   0.02) =   0.006%
          HG2   PRO   93 - QE    LYS+  65  15.58 +/- 5.48   2.987% *  0.0736% (0.84  1.00   0.02   0.02) =   0.005%
          HB3   GLN   17 - QE    LYS+  33  12.26 +/- 4.03   3.098% *  0.0275% (0.31  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  33  10.43 +/- 2.33   3.864% *  0.0170% (0.19  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  14.40 +/- 3.63   1.082% *  0.0444% (0.50  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  33  15.23 +/- 2.92   0.915% *  0.0256% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  20.24 +/- 2.07   0.226% *  0.0864% (0.98  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  15.82 +/- 1.98   0.569% *  0.0331% (0.38  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  15.78 +/- 2.66   0.627% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.82 +/- 2.73   0.182% *  0.0378% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  19.13 +/- 2.60   0.289% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 155.1:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.48 +/- 0.46  63.038% * 85.6156% (1.00  10.0 10.00   4.56 158.79) =  97.169%  kept
          QD    LYS+  66 - QE    LYS+  65   6.07 +/- 1.71  11.651% * 13.4109% (0.73   1.0  1.00   4.31  29.88) =   2.813%  kept
          QG2   THR   26 - QE    LYS+  33   7.11 +/- 1.57   5.928% *  0.0436% (0.51   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QE    LYS+  65  10.86 +/- 3.61   2.824% *  0.0715% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+  65 - QE    LYS+  33  17.26 +/- 3.53   0.390% *  0.4401% (0.51   1.0 10.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - QE    LYS+  65  10.67 +/- 4.32   7.919% *  0.0132% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - QE    LYS+  65  13.61 +/- 3.60   0.795% *  0.0849% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  65  16.37 +/- 2.83   0.411% *  0.0849% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QE    LYS+  65  18.09 +/- 4.01   1.621% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  20.68 +/- 5.32   0.461% *  0.0436% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  15.20 +/- 2.90   0.456% *  0.0368% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  10.78 +/- 2.05   1.408% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  16.37 +/- 2.90   0.320% *  0.0320% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  14.80 +/- 3.33   0.911% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  14.62 +/- 2.15   0.481% *  0.0191% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.40 +/- 2.75   0.424% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  18.31 +/- 2.81   0.280% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  20.53 +/- 5.69   0.344% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  17.48 +/- 2.88   0.269% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  26.47 +/- 2.60   0.067% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 158.8:
    * O T QD    LYS+  65 - QE    LYS+  65   2.09 +/- 0.04  84.551% * 96.2302% (1.00  10.0 10.00   4.22 158.79) =  99.977%  kept
        T QD    LYS+  38 - QE    LYS+  33   9.51 +/- 1.34   1.103% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.006%
        T HD3   LYS+ 111 - QE    LYS+  65  19.94 +/- 4.96   1.046% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - QE    LYS+  65  10.64 +/- 3.99   3.740% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 111 - QE    LYS+  65  19.48 +/- 4.87   1.165% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - QE    LYS+  65  17.65 +/- 2.53   0.179% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QE    LYS+  65  15.46 +/- 5.62   3.797% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+  33  16.18 +/- 3.11   0.261% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  33  15.56 +/- 3.79   0.360% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  65  21.70 +/- 2.30   0.084% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65   9.65 +/- 2.26   1.508% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  15.76 +/- 2.38   0.349% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  18.83 +/- 4.30   0.211% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  20.36 +/- 5.31   0.219% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  19.36 +/- 5.47   0.179% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  22.76 +/- 7.03   0.479% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  16.31 +/- 2.53   0.232% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  16.55 +/- 2.87   0.238% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.42 +/- 2.82   0.037% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  27.76 +/- 2.68   0.040% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.76 +/- 2.69   0.157% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.95 +/- 2.80   0.066% *  0.0186% (0.19   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 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.99, support = 5.19, residual support = 117.6:
    * O T QB    LYS+  66 - HA    LYS+  66   2.32 +/- 0.13  84.028% * 86.1854% (1.00  10.0 10.00   5.18 119.58) =  97.799%  kept
          QB    LYS+  65 - HA    LYS+  66   4.46 +/- 0.34  12.573% * 12.9425% (0.57   1.0  1.00   5.30  29.88) =   2.197%  kept
        T HB3   PRO   52 - HA    LYS+  66  20.06 +/- 3.45   0.193% *  0.4879% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  11.96 +/- 2.23   1.423% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LYS+  66  17.83 +/- 4.77   0.578% *  0.0773% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LYS+  66  15.50 +/- 1.72   0.332% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  66  16.41 +/- 4.69   0.536% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  19.30 +/- 2.68   0.186% *  0.0720% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  20.21 +/- 2.54   0.151% *  0.0592% (0.69   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 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 4.39, residual support = 110.5:
    * O T QG    LYS+  66 - HA    LYS+  66   2.68 +/- 0.45  69.200% * 64.6408% (1.00  10.0 10.00   4.39 119.58) =  91.292%  kept
        T HG    LEU   67 - HA    LYS+  66   5.92 +/- 1.25  13.049% * 24.2604% (0.38   1.0 10.00   4.69  15.23) =   6.461%  kept
          HB3   LEU   67 - HA    LYS+  66   5.48 +/- 0.67  10.220% * 10.7383% (0.95   1.0  1.00   3.51  15.23) =   2.240%  kept
          QB    ALA   61 - HA    LYS+  66   8.44 +/- 1.22   2.954% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - HA    LYS+  66  13.77 +/- 2.34   1.104% *  0.0611% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  66  12.10 +/- 1.50   1.071% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+  66  16.03 +/- 4.78   0.667% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  15.20 +/- 1.78   0.611% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  19.84 +/- 3.62   0.333% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  18.39 +/- 2.59   0.328% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  23.66 +/- 2.80   0.152% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  19.72 +/- 3.82   0.312% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.984, support = 4.52, residual support = 114.3:
    *   T QD    LYS+  66 - HA    LYS+  66   3.11 +/- 0.62  59.536% * 85.2622% (1.00 10.00   4.52 119.58) =  94.164%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.39 +/- 1.09  22.759% * 13.7577% (0.73  1.00   4.44  29.88) =   5.808%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  17.07 +/- 4.42   1.131% *  0.6827% (0.80 10.00   0.02   0.02) =   0.014%
          HD3   LYS+  74 - HA    LYS+  66  11.88 +/- 4.55  10.531% *  0.0449% (0.53  1.00   0.02   0.02) =   0.009%
          HB2   LYS+  74 - HA    LYS+  66  11.92 +/- 3.41   3.543% *  0.0320% (0.38  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+  66  15.47 +/- 3.13   0.927% *  0.0552% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  17.03 +/- 4.08   0.736% *  0.0586% (0.69  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+  66  17.84 +/- 3.35   0.540% *  0.0586% (0.69  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+  66  20.59 +/- 3.46   0.297% *  0.0483% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 119.6:
    *   T QE    LYS+  66 - HA    LYS+  66   4.26 +/- 0.68  85.964% * 99.6609% (1.00 10.00   4.37 119.58) =  99.985%  kept
        T HB2   ASP-  76 - HA    LYS+  66  16.52 +/- 4.46   4.266% *  0.2219% (0.22 10.00   0.02   0.02) =   0.011%
          HB2   ASN   69 - HA    LYS+  66  10.17 +/- 1.09   8.668% *  0.0308% (0.31  1.00   0.02   0.19) =   0.003%
          HB3   ASN   35 - HA    LYS+  66  21.31 +/- 2.90   1.102% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.61 A violated in 0 structures by 0.09 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.18, residual support = 119.6:
    * O T HA    LYS+  66 - QB    LYS+  66   2.32 +/- 0.13  83.793% * 99.9488% (1.00  10.0 10.00   5.18 119.58) =  99.997%  kept
          HA1   GLY   16 - QB    LYS+  66  14.82 +/- 5.09  15.848% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  36 - QB    LYS+  66  19.48 +/- 3.02   0.210% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  20.67 +/- 2.98   0.149% *  0.0154% (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 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 = 4.59, residual support = 115.0:
    * O T QG    LYS+  66 - QB    LYS+  66   2.08 +/- 0.03  81.637% * 64.3714% (1.00  10.0 10.00   4.60 119.58) =  95.644%  kept
        T HG    LEU   67 - QB    LYS+  66   5.50 +/- 1.11   7.641% * 24.1593% (0.38   1.0 10.00   4.61  15.23) =   3.360%  kept
          HB3   LEU   67 - QB    LYS+  66   5.36 +/- 0.48   5.130% * 10.6077% (0.95   1.0  1.00   3.48  15.23) =   0.990%  kept
          QB    ALA   61 - QB    LYS+  66   7.41 +/- 0.89   2.099% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 102 - QB    LYS+  66  20.62 +/- 2.95   0.108% *  0.5584% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+  66  10.36 +/- 1.82   1.158% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+  66  12.57 +/- 2.11   0.577% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QB    LYS+  66  14.20 +/- 3.82   0.580% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  12.45 +/- 2.15   0.498% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  15.65 +/- 2.55   0.251% *  0.0390% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  18.14 +/- 2.77   0.157% *  0.0416% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  17.97 +/- 2.71   0.164% *  0.0113% (0.18   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 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.971, support = 4.69, residual support = 110.1:
    * O T QD    LYS+  66 - QB    LYS+  66   2.20 +/- 0.18  81.069% * 57.5492% (1.00  10.0 10.00   4.73 119.58) =  89.450%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.37 +/- 1.34  13.152% * 41.7893% (0.73   1.0 10.00   4.42  29.88) =  10.538%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  14.19 +/- 4.16   1.034% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.009%
          HD3   LYS+  74 - QB    LYS+  66  11.01 +/- 2.98   1.467% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66  14.11 +/- 3.90   1.080% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QB    LYS+  66  15.27 +/- 3.30   0.501% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  11.08 +/- 2.18   0.907% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  13.85 +/- 2.58   0.449% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  17.30 +/- 3.47   0.341% *  0.0326% (0.57   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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 119.6:
    *   T QE    LYS+  66 - QB    LYS+  66   2.92 +/- 0.61  94.118% * 99.6609% (1.00 10.00   4.55 119.58) =  99.995%  kept
        T HB2   ASP-  76 - QB    LYS+  66  15.21 +/- 2.97   1.116% *  0.2219% (0.22 10.00   0.02   0.02) =   0.003%
          HB2   ASN   69 - QB    LYS+  66   8.86 +/- 1.22   4.119% *  0.0308% (0.31  1.00   0.02   0.19) =   0.001%
          HB3   ASN   35 - QB    LYS+  66  18.88 +/- 3.14   0.647% *  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 = 0.987, support = 4.4, residual support = 118.1:
    * O T HA    LYS+  66 - QG    LYS+  66   2.68 +/- 0.45  75.627% * 92.8046% (1.00  10.0 10.00   4.39 119.58) =  98.566%  kept
        T HA    LYS+  66 - HG    LEU   67   5.92 +/- 1.25  14.280% *  7.1442% (0.08   1.0 10.00   4.69  15.23) =   1.433%  kept
          HA1   GLY   16 - QG    LYS+  66  15.08 +/- 5.09   4.828% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QG    LYS+  66  20.05 +/- 3.01   0.323% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  20.51 +/- 3.26   0.283% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  15.00 +/- 6.58   3.855% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  17.78 +/- 3.39   0.576% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  20.81 +/- 3.00   0.228% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.98, support = 4.63, residual support = 116.1:
    * O T QB    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  70.540% * 79.5199% (1.00  10.0 10.00   4.60 119.58) =  96.271%  kept
          QB    LYS+  65 - QG    LYS+  66   4.30 +/- 1.04  13.935% * 12.6664% (0.57   1.0  1.00   5.63  29.88) =   3.029%  kept
        T QB    LYS+  66 - HG    LEU   67   5.50 +/- 1.11   6.574% *  6.1215% (0.08   1.0 10.00   4.61  15.23) =   0.691%  kept
        T HB    VAL   41 - QG    LYS+  66  13.95 +/- 2.17   0.302% *  0.7522% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+ 102 - QG    LYS+  66  17.91 +/- 3.18   0.160% *  0.5462% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QG    LYS+  66  11.24 +/- 2.17   1.313% *  0.0418% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG    LEU   67  11.26 +/- 2.34   0.667% *  0.0579% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG    LYS+  66  15.15 +/- 4.28   0.462% *  0.0713% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG    LYS+  66  13.69 +/- 4.38   0.680% *  0.0450% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG    LYS+  66  17.02 +/- 3.42   0.232% *  0.0664% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  16.88 +/- 3.25   0.227% *  0.0450% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  16.67 +/- 2.93   0.195% *  0.0420% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.37 +/- 1.16   2.097% *  0.0035% (0.04   1.0  1.00   0.02   0.39) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.10 +/- 2.15   1.673% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  15.50 +/- 3.12   0.300% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  17.67 +/- 3.81   0.220% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  17.86 +/- 5.32   0.321% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  20.86 +/- 3.45   0.102% *  0.0035% (0.04   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 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.34, residual support = 116.9:
    * O T QD    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  71.001% * 79.3735% (1.00  10.0 10.00   4.33 119.58) =  97.056%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.05 +/- 1.54  10.572% * 13.5085% (0.73   1.0  1.00   4.69  29.88) =   2.460%  kept
        T QD    LYS+  66 - HG    LEU   67   6.61 +/- 1.43   4.489% *  6.1102% (0.08   1.0 10.00   4.01  15.23) =   0.472%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  14.54 +/- 4.34   0.633% *  0.6356% (0.80   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LYS+  74 - HG    LEU   67   9.91 +/- 3.92   2.819% *  0.0229% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG    LYS+  66  10.88 +/- 3.07   1.279% *  0.0418% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QG    LYS+  66  14.50 +/- 4.17   0.834% *  0.0545% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QG    LYS+  66  11.05 +/- 2.19   0.749% *  0.0298% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  17.08 +/- 5.02   0.402% *  0.0489% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  15.68 +/- 3.89   0.333% *  0.0545% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  14.10 +/- 2.50   0.294% *  0.0513% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  17.37 +/- 3.31   0.219% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  10.84 +/- 4.41   3.057% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.76 +/- 1.46   1.322% *  0.0044% (0.06   1.0  1.00   0.02   0.39) =   0.000%
          QG2   THR   26 - HG    LEU   67  12.85 +/- 3.48   0.735% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  14.32 +/- 3.70   0.658% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  17.08 +/- 4.67   0.470% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  21.09 +/- 3.62   0.134% *  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 = 0.994, support = 3.87, residual support = 118.9:
    * O T QE    LYS+  66 - QG    LYS+  66   2.17 +/- 0.16  85.658% * 92.5373% (1.00  10.0 10.00   3.87 119.58) =  99.375%  kept
        T QE    LYS+  66 - HG    LEU   67   7.16 +/- 1.87   6.975% *  7.1236% (0.08   1.0 10.00   3.82  15.23) =   0.623%  kept
        T HB2   ASP-  76 - QG    LYS+  66  15.04 +/- 3.16   0.484% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QG    LYS+  66   9.66 +/- 1.48   1.372% *  0.0286% (0.31   1.0  1.00   0.02   0.19) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  19.40 +/- 3.15   0.178% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  14.82 +/- 3.64   0.841% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   8.13 +/- 1.26   4.063% *  0.0022% (0.02   1.0  1.00   0.02   3.20) =   0.000%
          HB3   ASN   35 - HG    LEU   67  17.01 +/- 3.58   0.429% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 119.6:
    *   T HA    LYS+  66 - QD    LYS+  66   3.11 +/- 0.62  88.959% * 99.8184% (1.00 10.00   4.52 119.58) =  99.996%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  17.07 +/- 4.42   1.603% *  0.1241% (0.12 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QD    LYS+  66  15.96 +/- 5.10   7.281% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QD    LYS+  66  20.58 +/- 3.40   0.532% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  21.53 +/- 3.65   0.511% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  25.65 +/- 5.51   0.332% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  21.04 +/- 5.72   0.538% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  26.73 +/- 2.77   0.244% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.968, support = 4.77, residual support = 113.0:
    * O T QB    LYS+  66 - QD    LYS+  66   2.20 +/- 0.18  79.293% * 63.5425% (1.00  10.0 10.00   4.73 119.58) =  92.628%  kept
        T QB    LYS+  65 - QD    LYS+  66   5.52 +/- 0.96  11.138% * 35.9749% (0.57   1.0 10.00   5.35  29.88) =   7.367%  kept
        T QB    LYS+  66 - HD2   LYS+ 121  14.19 +/- 4.16   0.926% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QD    LYS+  66  14.22 +/- 4.80   0.976% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD    LYS+  66  16.36 +/- 4.54   0.592% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  66  12.27 +/- 2.06   0.906% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD    LYS+  66  15.04 +/- 2.40   0.402% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.37 +/- 2.37   0.500% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.01 +/- 3.93   0.308% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  18.00 +/- 3.80   0.295% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  18.56 +/- 3.76   0.241% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.29 +/- 1.21   1.960% *  0.0045% (0.07   1.0  1.00   0.02   2.86) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  17.31 +/- 5.19   0.730% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  16.98 +/- 5.29   0.376% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  15.93 +/- 6.29   0.420% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  16.01 +/- 6.47   0.485% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  19.10 +/- 3.64   0.281% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.97 +/- 1.74   0.171% *  0.0071% (0.11   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 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.985, support = 4.32, residual support = 116.6:
    * O T QG    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  80.855% * 65.8925% (1.00  10.0 10.00   4.33 119.58) =  97.111%  kept
        T HG    LEU   67 - QD    LYS+  66   6.61 +/- 1.43   5.070% * 24.7302% (0.38   1.0 10.00   4.01  15.23) =   2.285%  kept
          HB3   LEU   67 - QD    LYS+  66   6.61 +/- 0.99   3.734% *  8.7719% (0.95   1.0  1.00   2.81  15.23) =   0.597%  kept
          QB    ALA   61 - QD    LYS+  66   8.46 +/- 1.40   1.707% *  0.0550% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HD2   LYS+ 121  14.45 +/- 5.14   1.577% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  66 - HD2   LYS+ 121  14.54 +/- 4.34   0.713% *  0.0819% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    LYS+  66  11.83 +/- 2.40   0.905% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    LYS+  66  14.09 +/- 2.19   0.459% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121  10.82 +/- 1.55   0.716% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HD2   LYS+ 121  17.08 +/- 5.02   0.453% *  0.0308% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  13.75 +/- 2.68   0.430% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  15.53 +/- 3.70   0.360% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  16.61 +/- 2.56   0.206% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.74 +/- 4.15   0.119% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  19.04 +/- 3.18   0.152% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  12.72 +/- 2.23   0.497% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.32 +/- 5.22   0.400% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  19.56 +/- 7.31   0.407% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  17.13 +/- 4.88   0.352% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.04 +/- 2.70   0.414% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  18.89 +/- 3.23   0.162% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  19.91 +/- 4.55   0.208% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  25.30 +/- 3.00   0.051% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  24.74 +/- 2.80   0.054% *  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 = 3.83, residual support = 119.6:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  96.045% * 99.4957% (1.00  10.0 10.00   3.83 119.58) =  99.996%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  14.84 +/- 5.11   1.629% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASP-  76 - QD    LYS+  66  16.09 +/- 3.53   0.426% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66  10.12 +/- 1.19   1.021% *  0.0307% (0.31   1.0  1.00   0.02   0.19) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  20.07 +/- 3.51   0.179% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  23.30 +/- 2.53   0.080% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  17.93 +/- 5.27   0.502% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  24.31 +/- 5.92   0.118% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 119.6:
    *   T HA    LYS+  66 - QE    LYS+  66   4.26 +/- 0.68  75.601% * 99.7309% (1.00 10.00   4.37 119.58) =  99.988%  kept
        T HA    LYS+  66 - HB2   ASP-  76  16.52 +/- 4.46   3.752% *  0.2073% (0.21 10.00   0.02   0.02) =   0.010%
          HA1   GLY   16 - QE    LYS+  66  16.19 +/- 4.49   3.672% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.35 +/- 0.90  13.251% *  0.0032% (0.03  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QE    LYS+  66  20.82 +/- 3.59   1.049% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  21.61 +/- 3.82   1.343% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  22.60 +/- 7.28   0.835% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  24.88 +/- 2.48   0.495% *  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 = 0.987, support = 4.55, residual support = 116.9:
    *   T QB    LYS+  66 - QE    LYS+  66   2.92 +/- 0.61  65.404% * 87.6393% (1.00 10.00   4.55 119.58) =  97.011%  kept
          QB    LYS+  65 - QE    LYS+  66   5.99 +/- 1.06  15.103% * 11.6364% (0.57  1.00   4.69  29.88) =   2.974%  kept
          HG    LEU  123 - QE    LYS+  66  13.69 +/- 4.75   5.112% *  0.0496% (0.57  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  66 - HB2   ASP-  76  15.21 +/- 2.97   0.780% *  0.1822% (0.21 10.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QE    LYS+  66  12.52 +/- 2.46   2.053% *  0.0461% (0.53  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QE    LYS+  66  16.04 +/- 4.93   0.979% *  0.0786% (0.90  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  66  15.08 +/- 2.79   0.826% *  0.0829% (0.95  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+  66  17.94 +/- 4.36   0.800% *  0.0732% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QE    LYS+  66  17.49 +/- 4.40   0.743% *  0.0496% (0.57  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  66  18.51 +/- 4.14   0.573% *  0.0602% (0.69  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HB2   ASP-  76  14.12 +/- 2.41   1.657% *  0.0163% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.97 +/- 4.67   1.871% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  13.78 +/- 3.79   1.607% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  15.38 +/- 2.71   0.806% *  0.0172% (0.20  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  17.59 +/- 2.65   0.547% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.49 +/- 2.38   0.709% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  20.67 +/- 2.60   0.301% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.07 +/- 3.34   0.129% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.38 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 = 0.981, support = 3.86, residual support = 115.8:
    * O T QG    LYS+  66 - QE    LYS+  66   2.17 +/- 0.16  65.428% * 65.3078% (1.00  10.0 10.00   3.87 119.58) =  96.406%  kept
        T HG    LEU   67 - QE    LYS+  66   7.16 +/- 1.87   5.368% * 24.5107% (0.38   1.0 10.00   3.82  15.23) =   2.969%  kept
          HB3   LEU   67 - QE    LYS+  66   7.26 +/- 1.16   2.859% *  9.5420% (0.95   1.0  1.00   3.09  15.23) =   0.616%  kept
          QB    ALA   61 - QE    LYS+  66   8.51 +/- 1.51   1.698% *  0.0545% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QE    LYS+  66  11.88 +/- 2.85   2.454% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - HB2   ASP-  76   6.54 +/- 2.02   6.704% *  0.0088% (0.13   1.0  1.00   0.02   1.48) =   0.001%
        T QG    LYS+  66 - HB2   ASP-  76  15.04 +/- 3.16   0.358% *  0.1358% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HB2   ASP-  76  14.82 +/- 3.64   0.638% *  0.0510% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  66  14.33 +/- 2.29   0.386% *  0.0618% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB2   ASP-  76   6.24 +/- 1.49   8.831% *  0.0024% (0.04   1.0  1.00   0.02   1.48) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  13.31 +/- 3.23   0.497% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  15.73 +/- 3.64   0.303% *  0.0344% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.55 +/- 2.25   0.739% *  0.0128% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  16.20 +/- 3.11   0.224% *  0.0396% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  12.51 +/- 2.82   0.708% *  0.0113% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  17.11 +/- 8.05   1.082% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  21.75 +/- 4.61   0.134% *  0.0566% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  14.72 +/- 3.42   0.430% *  0.0128% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  19.22 +/- 3.06   0.120% *  0.0422% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  16.33 +/- 3.37   0.312% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  17.00 +/- 2.24   0.277% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  17.36 +/- 3.05   0.229% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  19.04 +/- 3.07   0.130% *  0.0114% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  23.58 +/- 3.33   0.091% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 3.84, residual support = 118.6:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  76.041% * 85.6292% (1.00  10.0 10.00   3.83 119.58) =  98.918%  kept
          HG2   LYS+  65 - QE    LYS+  66   6.70 +/- 1.75   5.378% * 12.9908% (0.73   1.0  1.00   4.18  29.88) =   1.061%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  14.84 +/- 5.11   1.296% *  0.6857% (0.80   1.0 10.00   0.02   0.02) =   0.013%
          HB3   LYS+ 121 - QE    LYS+  66  14.73 +/- 5.03   2.813% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HB2   ASP-  76   6.94 +/- 2.45   7.277% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HB2   ASP-  76  16.09 +/- 3.53   0.336% *  0.1780% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QE    LYS+  66  12.41 +/- 2.78   0.611% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  16.37 +/- 4.78   0.436% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.46 +/- 1.59   3.330% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  15.08 +/- 2.90   0.338% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  12.68 +/- 1.94   0.433% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  18.00 +/- 3.94   0.201% *  0.0485% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  23.30 +/- 2.53   0.064% *  0.1426% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  13.62 +/- 5.65   0.734% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  15.93 +/- 4.44   0.397% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  20.66 +/- 3.81   0.155% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  20.67 +/- 2.63   0.100% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  23.35 +/- 2.22   0.060% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.3:
    * O T HB2   PRO   68 - HA    PRO   68   2.63 +/- 0.19  97.341% * 98.6006% (0.84  10.0 10.00   2.00  36.35) =  99.983%  kept
        T HB    VAL   24 - HA    PRO   68  20.18 +/- 5.18   1.215% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.015%
          QB    GLN   32 - HA    PRO   68  17.26 +/- 3.32   0.821% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    PRO   68  17.13 +/- 3.70   0.624% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.4:
    * O T HA    PRO   68 - HB2   PRO   68   2.63 +/- 0.19  98.768% * 99.1920% (0.84  10.0 10.00   2.00  36.35) =  99.990%  kept
        T HA    PRO   68 - HB    VAL   24  20.18 +/- 5.18   1.232% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.010%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.0:
    * O T HB2   ASN   69 - HA    ASN   69   2.61 +/- 0.20  95.056% * 99.7955% (1.00  10.0 10.00   3.31  59.02) =  99.998%  kept
          QE    LYS+  66 - HA    ASN   69   9.96 +/- 1.63   2.514% *  0.0308% (0.31   1.0  1.00   0.02   0.19) =   0.001%
          HB2   ASP-  76 - HA    ASN   69  18.00 +/- 3.47   0.508% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   69  12.47 +/- 2.93   1.677% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  21.77 +/- 3.92   0.246% *  0.0605% (0.61   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 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.0:
    * O T HB3   ASN   69 - HA    ASN   69   2.72 +/- 0.28  92.776% * 99.7714% (1.00  10.0 10.00   3.00  59.02) =  99.994%  kept
          QE    LYS+  74 - HA    ASN   69  12.47 +/- 2.88   4.348% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   72 - HA    ASN   69   9.81 +/- 0.95   2.374% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    CYS   50 - HA    ASN   69  19.63 +/- 4.07   0.502% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.0:
    * O T HA    ASN   69 - HB2   ASN   69   2.61 +/- 0.20  98.761% * 99.8126% (1.00  10.0 10.00   3.31  59.02) =  99.999%  kept
          HA    VAL   43 - HB2   ASN   69  13.64 +/- 1.78   0.960% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB2   ASN   69  20.41 +/- 3.08   0.280% *  0.0978% (0.98   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 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.0:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  98.837% * 99.7714% (1.00  10.0 10.00   3.97  59.02) =  99.999%  kept
          QE    LYS+  74 - HB2   ASN   69  13.86 +/- 2.79   0.551% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   ASN   69  10.93 +/- 1.02   0.449% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  20.58 +/- 4.19   0.163% *  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 = 59.0:
    * O T HA    ASN   69 - HB3   ASN   69   2.72 +/- 0.28  98.647% * 99.8126% (1.00  10.0 10.00   3.00  59.02) =  99.999%  kept
          HA    VAL   43 - HB3   ASN   69  13.37 +/- 1.73   1.039% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  19.97 +/- 2.89   0.314% *  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 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.0:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  97.458% * 99.7955% (1.00  10.0 10.00   3.97  59.02) =  99.999%  kept
          QE    LYS+  66 - HB3   ASN   69  10.12 +/- 2.26   1.878% *  0.0308% (0.31   1.0  1.00   0.02   0.19) =   0.001%
          HB2   ASP-  76 - HB3   ASN   69  19.16 +/- 3.28   0.113% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  12.74 +/- 2.76   0.484% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  22.74 +/- 3.80   0.066% *  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 = 4.3, residual support = 79.2:
    * O T HB    VAL   70 - HA    VAL   70   2.90 +/- 0.19  77.134% * 97.2460% (1.00  10.0 10.00   4.30  79.30) =  99.918%  kept
        T QG    GLN   17 - HA    VAL   70  12.04 +/- 4.12   3.865% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.050%
        T QG    GLN   17 - HB2   SER   82  23.38 +/- 8.14   3.443% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.021%
        T HB    VAL   70 - HA    SER   48  18.80 +/- 3.72   0.979% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T QG    GLN   17 - HA    SER   48  20.78 +/- 6.88   0.561% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB2   SER   82  21.40 +/- 2.30   0.228% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    VAL   70  11.98 +/- 1.34   1.403% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  19.41 +/-10.52   1.346% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70  12.42 +/- 2.26   1.486% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    VAL   70  11.38 +/- 2.31   1.927% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  18.96 +/- 2.66   0.340% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  15.03 +/- 2.86   0.752% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.49 +/- 2.06   1.826% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48  11.69 +/- 3.52   2.556% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  16.78 +/- 1.67   0.453% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  24.24 +/- 6.01   0.502% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  16.36 +/- 2.12   0.545% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  23.21 +/- 5.28   0.334% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  25.89 +/- 4.58   0.151% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  28.16 +/- 2.65   0.094% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  30.07 +/- 2.79   0.075% *  0.0044% (0.05   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 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.82, residual support = 75.1:
    * O T QG1   VAL   70 - HA    VAL   70   2.55 +/- 0.34  58.763% * 77.7578% (1.00  10.0 10.00   4.75  79.30) =  90.588%  kept
          QD1   LEU   71 - HA    VAL   70   4.62 +/- 1.24  23.655% * 19.9057% (0.92   1.0  1.00   5.55  34.78) =   9.335%  kept
        T QG1   VAL   18 - HA    VAL   70  10.18 +/- 5.12   3.780% *  0.7622% (0.98   1.0 10.00   0.02   0.02) =   0.057%
          HB3   LEU   63 - HA    VAL   70   8.26 +/- 2.67   8.066% *  0.0440% (0.57   1.0  1.00   0.02   0.02) =   0.007%
        T QG1   VAL   70 - HA    SER   48  16.46 +/- 3.82   0.880% *  0.1771% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   18 - HB2   SER   82  20.28 +/- 8.03   0.319% *  0.3693% (0.47   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - HA    SER   48  17.22 +/- 6.84   0.501% *  0.1736% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HB2   SER   82  18.43 +/- 2.02   0.207% *  0.3768% (0.48   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   70  14.04 +/- 4.44   1.047% *  0.0718% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  123 - HA    SER   48  18.85 +/- 3.99   0.365% *  0.1635% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   70  12.97 +/- 1.91   0.815% *  0.0472% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   SER   82  18.97 +/- 3.57   0.260% *  0.0348% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  16.45 +/- 4.08   0.731% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.00 +/- 2.97   0.216% *  0.0164% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  23.10 +/- 3.91   0.122% *  0.0229% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  25.61 +/- 2.47   0.066% *  0.0348% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  22.57 +/- 2.24   0.098% *  0.0213% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  24.25 +/- 3.45   0.109% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 79.3:
    * O T QG2   VAL   70 - HA    VAL   70   2.38 +/- 0.31  98.914% * 99.2926% (0.80  10.0 10.00   4.00  79.30) =  99.997%  kept
        T QG2   VAL   70 - HB2   SER   82  17.09 +/- 2.23   0.358% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   70 - HA    SER   48  15.93 +/- 2.69   0.728% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.21 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 = 4.3, residual support = 79.0:
    * O T HA    VAL   70 - HB    VAL   70   2.90 +/- 0.19  54.352% * 95.1883% (1.00  10.0 10.00   4.30  79.30) =  99.070%  kept
          HA    VAL   18 - QG    GLN   17   4.86 +/- 0.79  14.814% *  2.7319% (0.13   1.0  1.00   4.50  50.42) =   0.775%  kept
          HA1   GLY   16 - QG    GLN   17   5.07 +/- 0.70  13.034% *  0.5050% (0.04   1.0  1.00   2.89  17.60) =   0.126%  kept
        T HA    VAL   70 - QG    GLN   17  12.04 +/- 4.12   2.768% *  0.1768% (0.19   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   SER   82 - QG    GLN   17  23.38 +/- 8.14   2.433% *  0.1072% (0.11   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   18 - HB    VAL   70  11.34 +/- 5.47   3.496% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T HA    SER   48 - HB    VAL   70  18.80 +/- 3.72   0.710% *  0.2374% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   SER   82 - HB    VAL   70  21.40 +/- 2.30   0.158% *  0.5773% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB    VAL   70  15.13 +/- 3.62   0.775% *  0.0952% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB    VAL   70  11.52 +/- 1.32   1.012% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   70  15.02 +/- 2.04   0.537% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70  13.85 +/- 5.51   1.514% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   70  16.16 +/- 2.48   0.405% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - QG    GLN   17  20.78 +/- 6.88   0.385% *  0.0441% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  13.50 +/- 4.00   1.197% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  14.41 +/- 5.11   1.423% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  14.56 +/- 3.65   0.668% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.86 +/- 3.52   0.318% *  0.0177% (0.19   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 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 = 0.996, support = 5.13, residual support = 78.6:
    * O T QG1   VAL   70 - HB    VAL   70   2.12 +/- 0.02  65.110% * 76.7177% (1.00  10.0 10.00   5.13  79.30) =  98.283%  kept
          QD1   LEU   71 - HB    VAL   70   6.41 +/- 1.10   3.450% * 19.7653% (0.92   1.0  1.00   5.58  34.78) =   1.342%  kept
          QG1   VAL   18 - QG    GLN   17   5.32 +/- 0.82   5.692% *  3.0955% (0.18   1.0  1.00   4.43  50.42) =   0.347%  kept
          QG1   VAL   18 - HB    VAL   70   9.40 +/- 5.37   7.398% *  0.0752% (0.98   1.0  1.00   0.02   0.02) =   0.011%
          HB3   LEU   63 - HB    VAL   70   6.31 +/- 2.06  11.233% *  0.0434% (0.57   1.0  1.00   0.02   0.02) =   0.010%
        T QG1   VAL   70 - QG    GLN   17  10.35 +/- 2.95   1.934% *  0.1425% (0.19   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - HB    VAL   70  13.24 +/- 3.88   0.706% *  0.0708% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG    GLN   17  10.55 +/- 5.00   2.919% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  13.02 +/- 2.18   0.387% *  0.0465% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  15.15 +/- 4.25   0.608% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  13.11 +/- 2.70   0.389% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.55 +/- 4.29   0.174% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 79.3:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  98.192% * 99.8146% (0.80  10.0 10.00   4.30  79.30) =  99.997%  kept
        T QG2   VAL   70 - QG    GLN   17  10.08 +/- 2.99   1.808% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 3.04 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 = 4.75, residual support = 79.2:
    * O T HA    VAL   70 - QG1   VAL   70   2.55 +/- 0.34  80.488% * 98.1637% (1.00  10.0 10.00   4.75  79.30) =  99.912%  kept
        T HA    VAL   18 - QG1   VAL   70  10.15 +/- 4.00   8.881% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.076%
        T HA    SER   48 - QG1   VAL   70  16.46 +/- 3.82   1.281% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   SER   82 - QG1   VAL   70  18.43 +/- 2.02   0.304% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QG1   VAL   70  12.71 +/- 3.44   1.814% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG1   VAL   70   9.43 +/- 1.88   2.503% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG1   VAL   70  12.46 +/- 2.37   1.089% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  13.62 +/- 2.65   0.859% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG1   VAL   70  11.75 +/- 4.21   2.781% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.13, residual support = 79.3:
    * O T HB    VAL   70 - QG1   VAL   70   2.12 +/- 0.02  92.921% * 98.7774% (1.00  10.0 10.00   5.13  79.30) =  99.969%  kept
        T QG    GLN   17 - QG1   VAL   70  10.35 +/- 2.95   2.739% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.029%
          HB2   MET   96 - QG1   VAL   70   9.63 +/- 1.60   1.263% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG1   VAL   70  11.20 +/- 2.26   1.202% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  16.20 +/- 2.93   0.339% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  10.78 +/- 2.33   1.118% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  13.81 +/- 1.72   0.419% *  0.0246% (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 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 = 4.75, residual support = 79.3:
    * O T QG2   VAL   70 - QG1   VAL   70   2.02 +/- 0.07 100.000% *100.0000% (0.80  10.0 10.00   4.75  79.30) = 100.000%  kept
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 3.99, residual support = 79.2:
    * O T HA    VAL   70 - QG2   VAL   70   2.38 +/- 0.31  79.091% * 97.6465% (0.54  10.0 10.00   4.00  79.30) =  99.810%  kept
          HA    VAL   18 - QG2   VAL   70   9.31 +/- 4.34  11.589% *  1.1977% (0.37   1.0  1.00   0.36   0.02) =   0.179%  kept
          HA    GLN  116 - QG2   VAL   70  12.67 +/- 3.20   1.964% *  0.0976% (0.54   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - QG2   VAL   70  17.09 +/- 2.23   0.274% *  0.5923% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG2   VAL   70  15.93 +/- 2.69   0.582% *  0.2435% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG2   VAL   70   8.71 +/- 1.02   2.113% *  0.0475% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   70  11.46 +/- 1.64   1.178% *  0.0847% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  12.48 +/- 1.88   0.880% *  0.0709% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG2   VAL   70  11.39 +/- 4.52   2.329% *  0.0193% (0.11   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.3, residual support = 79.3:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  93.434% * 98.7774% (0.54  10.0 10.00   4.30  79.30) =  99.979%  kept
        T QG    GLN   17 - QG2   VAL   70  10.08 +/- 2.99   1.721% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.018%
          HB2   MET   96 - QG2   VAL   70   8.08 +/- 1.25   2.053% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QG2   VAL   70  10.20 +/- 1.60   1.082% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  15.11 +/- 2.17   0.332% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.30 +/- 1.30   0.933% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  12.83 +/- 0.92   0.445% *  0.0246% (0.13   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 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.535, support = 4.77, residual support = 77.9:
    * O T QG1   VAL   70 - QG2   VAL   70   2.02 +/- 0.07  66.646% * 77.3759% (0.54  10.0 10.00   4.75  79.30) =  97.166%  kept
          QD1   LEU   71 - QG2   VAL   70   4.95 +/- 0.91   6.439% * 21.1272% (0.50   1.0  1.00   5.92  34.78) =   2.563%  kept
          QG1   VAL   18 - QG2   VAL   70   7.91 +/- 4.14  10.193% *  1.3348% (0.53   1.0  1.00   0.35   0.02) =   0.256%  kept
          HB3   LEU   63 - QG2   VAL   70   5.76 +/- 1.95  14.373% *  0.0438% (0.30   1.0  1.00   0.02   0.02) =   0.012%
          QD1   LEU  123 - QG2   VAL   70  11.16 +/- 3.40   1.370% *  0.0714% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - QG2   VAL   70   9.64 +/- 1.70   0.978% *  0.0469% (0.33   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 139.4:
    * O T HB2   LEU   71 - HA    LEU   71   2.71 +/- 0.31  75.958% * 99.5520% (1.00  10.0 10.00   5.31 139.47) =  99.981%  kept
          QB    LYS+  66 - HA    LEU   71   9.45 +/- 1.81   9.268% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.006%
          HB3   GLN   17 - HA    LEU   71  12.39 +/- 6.49   6.678% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  65 - HA    LEU   71   9.60 +/- 1.83   3.022% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   41 - HA    LEU   71   8.50 +/- 1.81   3.701% *  0.0340% (0.34   1.0  1.00   0.02   2.84) =   0.002%
          QB    LYS+ 102 - HA    LEU   71  15.78 +/- 1.78   0.464% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   71  18.39 +/- 2.76   0.339% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.46 +/- 1.73   0.570% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.5:
    * O T HB3   LEU   71 - HA    LEU   71   2.50 +/- 0.20  98.109% * 99.6783% (1.00  10.0 10.00   4.31 139.47) =  99.999%  kept
          QG2   THR   94 - HA    LEU   71  13.37 +/- 1.76   0.901% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    LEU   71  19.99 +/- 3.16   0.259% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  20.87 +/- 3.08   0.216% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  18.48 +/- 2.95   0.351% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.35 +/- 3.50   0.164% *  0.0447% (0.45   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 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 4.22, residual support = 130.5:
    *   T QD1   LEU   71 - HA    LEU   71   3.68 +/- 0.46  47.121% * 81.5345% (1.00 10.00   4.18 139.47) =  91.537%  kept
          QG1   VAL   70 - HA    LEU   71   5.31 +/- 0.62  19.323% * 18.0149% (0.92  1.00   4.79  34.78) =   8.294%  kept
          QG1   VAL   18 - HA    LEU   71   9.42 +/- 6.96  24.661% *  0.2732% (0.84  1.00   0.08   0.02) =   0.161%  kept
          HB3   LEU   63 - HA    LEU   71   9.69 +/- 2.15   6.302% *  0.0278% (0.34  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HA    LEU   71  15.22 +/- 4.11   1.513% *  0.0815% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - HA    LEU   71  14.77 +/- 2.02   1.080% *  0.0681% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.96, residual support = 138.0:
    *   T QD2   LEU   71 - HA    LEU   71   2.68 +/- 0.64  57.625% * 93.4599% (1.00 10.00   5.00 139.47) =  98.970%  kept
          QD1   LEU   67 - HA    LEU   71   5.66 +/- 1.95  23.565% *  1.6838% (0.45  1.00   0.80   0.02) =   0.729%  kept
          HG3   LYS+  74 - HA    LEU   71  10.51 +/- 1.98   2.435% *  4.1751% (0.69  1.00   1.30   1.13) =   0.187%  kept
          QD2   LEU   40 - HA    LEU   71   6.93 +/- 1.32  13.130% *  0.4556% (0.41  1.00   0.24   1.89) =   0.110%  kept
          QG2   ILE  119 - HA    LEU   71  14.29 +/- 3.55   1.313% *  0.0811% (0.87  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LEU   71  13.42 +/- 1.43   0.872% *  0.0916% (0.98  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  13.20 +/- 1.49   1.060% *  0.0529% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.5:
    * O T HA    LEU   71 - HB2   LEU   71   2.71 +/- 0.31  91.904% * 99.9402% (1.00  10.0 10.00   5.31 139.47) =  99.998%  kept
          HA    VAL   43 - HB2   LEU   71   9.62 +/- 2.40   6.869% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - HB2   LEU   71  14.22 +/- 4.56   1.227% *  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 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.5:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.187% * 99.6783% (1.00  10.0 10.00   4.97 139.47) =  99.999%  kept
          QG2   THR   94 - HB2   LEU   71  13.97 +/- 2.43   0.474% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  21.04 +/- 3.53   0.082% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  21.93 +/- 3.53   0.073% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  19.32 +/- 3.76   0.130% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.17 +/- 3.97   0.055% *  0.0447% (0.45   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 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 5.1, residual support = 137.7:
    * O T QD1   LEU   71 - HB2   LEU   71   2.30 +/- 0.16  82.324% * 79.2430% (1.00  10.0 10.00   5.09 139.47) =  98.352%  kept
          QG1   VAL   70 - HB2   LEU   71   5.97 +/- 0.47   5.299% * 19.6792% (0.92   1.0  1.00   5.38  34.78) =   1.572%  kept
          HB3   LEU   63 - HB2   LEU   71  10.90 +/- 2.82   5.090% *  0.6669% (0.34   1.0  1.00   0.49   0.02) =   0.051%
          QG1   VAL   18 - HB2   LEU   71  10.77 +/- 6.08   5.759% *  0.2655% (0.84   1.0  1.00   0.08   0.02) =   0.023%
          QD1   LEU  123 - HB2   LEU   71  15.45 +/- 4.56   0.779% *  0.0792% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU   71  13.96 +/- 2.72   0.748% *  0.0662% (0.84   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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 5.4, residual support = 138.5:
    * O T QD2   LEU   71 - HB2   LEU   71   3.19 +/- 0.02  63.967% * 96.7254% (1.00  10.0 10.00   5.43 139.47) =  99.272%  kept
          QD1   LEU   67 - HB2   LEU   71   7.25 +/- 1.78  14.177% *  1.7426% (0.45   1.0  1.00   0.80   0.02) =   0.396%  kept
          QD2   LEU   40 - HB2   LEU   71   6.27 +/- 1.60  16.431% *  1.2321% (0.41   1.0  1.00   0.62   1.89) =   0.325%  kept
          QG2   ILE  119 - HB2   LEU   71  14.78 +/- 3.85   1.518% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   LEU   71  13.14 +/- 1.94   1.153% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB2   LEU   71  12.69 +/- 1.90   1.418% *  0.0664% (0.69   1.0  1.00   0.02   1.13) =   0.002%
          QG2   ILE  103 - HB2   LEU   71  12.86 +/- 2.17   1.336% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.5:
    * O T HA    LEU   71 - HB3   LEU   71   2.50 +/- 0.20  93.108% * 99.9402% (1.00  10.0 10.00   4.31 139.47) =  99.998%  kept
          HA    VAL   43 - HB3   LEU   71   9.78 +/- 2.27   5.471% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB3   LEU   71  13.58 +/- 5.27   1.420% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.5:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  85.993% * 99.3538% (1.00  10.0 10.00   4.97 139.47) =  99.990%  kept
          QB    LYS+  66 - HB3   LEU   71  11.07 +/- 2.40   9.108% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  65 - HB3   LEU   71  11.11 +/- 2.34   1.191% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HB3   LEU   71  12.81 +/- 6.45   1.651% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB3   LEU   71   8.61 +/- 2.41   1.602% *  0.0339% (0.34   1.0  1.00   0.02   2.84) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  14.80 +/- 2.20   0.186% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  15.70 +/- 2.22   0.153% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  19.74 +/- 3.58   0.117% *  0.0796% (0.80   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 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.88, residual support = 137.4:
    * O T QD1   LEU   71 - HB3   LEU   71   2.63 +/- 0.40  75.245% * 81.5053% (1.00  10.0 10.00   3.86 139.47) =  98.075%  kept
          QG1   VAL   70 - HB3   LEU   71   6.50 +/- 0.63   6.468% * 18.0442% (0.92   1.0  1.00   4.80  34.78) =   1.866%  kept
          QG1   VAL   18 - HB3   LEU   71  10.37 +/- 6.41  12.446% *  0.2731% (0.84   1.0  1.00   0.08   0.02) =   0.054%
          HB3   LEU  104 - HB3   LEU   71  15.02 +/- 2.68   1.557% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB3   LEU   71  15.87 +/- 4.60   1.227% *  0.0815% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HB3   LEU   71  11.29 +/- 2.78   3.058% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.43, residual support = 139.2:
    * O T QD2   LEU   71 - HB3   LEU   71   2.44 +/- 0.15  82.609% * 97.8926% (1.00  10.0 10.00   4.43 139.47) =  99.810%  kept
          QD1   LEU   67 - HB3   LEU   71   7.42 +/- 1.87   8.446% *  1.7636% (0.45   1.0  1.00   0.80   0.02) =   0.184%  kept
          QD2   LEU   40 - HB3   LEU   71   7.21 +/- 1.46   5.643% *  0.0402% (0.41   1.0  1.00   0.02   1.89) =   0.003%
          QG2   ILE  119 - HB3   LEU   71  15.15 +/- 4.02   1.133% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB3   LEU   71  12.08 +/- 1.75   0.884% *  0.0672% (0.69   1.0  1.00   0.02   1.13) =   0.001%
          QD1   ILE  103 - HB3   LEU   71  13.73 +/- 1.77   0.568% *  0.0960% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB3   LEU   71  13.57 +/- 2.04   0.717% *  0.0554% (0.57   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 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 139.5:
    *   T HA    LEU   71 - QD1   LEU   71   3.68 +/- 0.46  85.973% * 99.9402% (1.00 10.00   4.18 139.47) =  99.996%  kept
          HA    VAL   43 - QD1   LEU   71   9.64 +/- 1.88  10.240% *  0.0223% (0.22  1.00   0.02   0.02) =   0.003%
          HA    ALA   20 - QD1   LEU   71  12.81 +/- 4.01   3.787% *  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 = 5.09, residual support = 139.4:
    * O T HB2   LEU   71 - QD1   LEU   71   2.30 +/- 0.16  71.415% * 99.5520% (1.00  10.0 10.00   5.09 139.47) =  99.978%  kept
          QB    LYS+  66 - QD1   LEU   71   9.67 +/- 2.50  14.925% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.011%
          HB3   GLN   17 - QD1   LEU   71  11.43 +/- 5.42   4.251% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - QD1   LEU   71  10.01 +/- 2.22   2.051% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - QD1   LEU   71   7.76 +/- 2.24   5.933% *  0.0340% (0.34   1.0  1.00   0.02   2.84) =   0.003%
          QB    LYS+ 102 - QD1   LEU   71  13.07 +/- 1.89   0.519% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD1   LEU   71  17.85 +/- 3.17   0.291% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.91 +/- 2.13   0.615% *  0.0222% (0.22   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 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 139.5:
    * O T HB3   LEU   71 - QD1   LEU   71   2.63 +/- 0.40  94.339% * 99.6783% (1.00  10.0 10.00   3.86 139.47) =  99.996%  kept
          QG2   THR   94 - QD1   LEU   71  12.91 +/- 2.30   3.501% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - QD1   LEU   71  18.75 +/- 3.43   0.570% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD1   LEU   71  19.48 +/- 3.45   0.516% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  17.61 +/- 3.51   0.676% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.37 +/- 3.70   0.398% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.29, residual support = 139.2:
    * O T QD2   LEU   71 - QD1   LEU   71   2.07 +/- 0.06  85.576% * 96.1985% (1.00  10.0 10.00   4.30 139.47) =  99.770%  kept
          QD2   LEU   40 - QD1   LEU   71   6.02 +/- 1.27   5.485% *  1.7701% (0.41   1.0  1.00   0.90   1.89) =   0.118%  kept
          QD1   LEU   67 - QD1   LEU   71   7.05 +/- 1.72   5.165% *  1.7331% (0.45   1.0  1.00   0.80   0.02) =   0.108%  kept
          QG2   ILE  119 - QD1   LEU   71  12.93 +/- 3.82   1.873% *  0.0834% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - QD1   LEU   71  11.95 +/- 1.73   0.604% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD1   LEU   71  11.72 +/- 1.85   0.743% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.80 +/- 1.43   0.555% *  0.0661% (0.69   1.0  1.00   0.02   1.13) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.5:
    *   T HA    LEU   71 - QD2   LEU   71   2.68 +/- 0.64  90.281% * 99.9402% (1.00 10.00   5.00 139.47) =  99.997%  kept
          HA    ALA   20 - QD2   LEU   71  11.42 +/- 4.74   3.638% *  0.0375% (0.38  1.00   0.02   0.02) =   0.002%
          HA    VAL   43 - QD2   LEU   71   8.58 +/- 1.57   6.082% *  0.0223% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.08 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 139.4:
    * O T HB2   LEU   71 - QD2   LEU   71   3.19 +/- 0.02  59.312% * 99.3538% (1.00  10.0 10.00   5.43 139.47) =  99.957%  kept
          HB3   GLN   17 - QD2   LEU   71  10.74 +/- 5.57  13.649% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          QB    LYS+  66 - QD2   LEU   71   9.18 +/- 2.15  14.125% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.013%
          QB    LYS+  65 - QD2   LEU   71   9.24 +/- 1.63   3.063% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   41 - QD2   LEU   71   7.82 +/- 1.91   7.041% *  0.0339% (0.34   1.0  1.00   0.02   2.84) =   0.004%
        T HG12  ILE  103 - QD2   LEU   71  13.03 +/- 1.83   1.045% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+ 102 - QD2   LEU   71  13.70 +/- 1.79   0.938% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QD2   LEU   71  16.69 +/- 2.96   0.827% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 139.5:
    * O T HB3   LEU   71 - QD2   LEU   71   2.44 +/- 0.15  97.029% * 99.2790% (1.00  10.0 10.00   4.43 139.47) =  99.997%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  20.63 +/- 3.73   0.271% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - QD2   LEU   71  12.28 +/- 1.90   1.341% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD2   LEU   71  17.94 +/- 3.67   0.491% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD2   LEU   71  18.68 +/- 3.60   0.400% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  16.63 +/- 3.05   0.468% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.31, residual support = 137.6:
    * O T QD1   LEU   71 - QD2   LEU   71   2.07 +/- 0.06  76.347% * 81.5138% (1.00  10.0 10.00   4.30 139.47) =  98.221%  kept
          QG1   VAL   70 - QD2   LEU   71   5.57 +/- 0.96   6.057% * 18.0357% (0.92   1.0  1.00   4.79  34.78) =   1.724%  kept
          QG1   VAL   18 - QD2   LEU   71   8.70 +/- 5.52  11.625% *  0.2731% (0.84   1.0  1.00   0.08   0.02) =   0.050%
          QD1   LEU  123 - QD2   LEU   71  13.23 +/- 4.11   1.753% *  0.0815% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QD2   LEU   71   9.52 +/- 2.61   3.770% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - QD2   LEU   71  13.22 +/- 1.92   0.447% *  0.0681% (0.84   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 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.01, residual support = 90.1:
    * O T HB2   PHE   72 - HA    PHE   72   2.59 +/- 0.13  91.662% * 94.7614% (0.64  10.0 10.00   4.02  90.29) =  99.578%  kept
          HA    ALA   64 - HA    PHE   72   6.96 +/- 1.04   7.068% *  5.1960% (0.55   1.0  1.00   1.26  45.90) =   0.421%  kept
          HB3   ASN   69 - HA    PHE   72  11.01 +/- 0.56   1.271% *  0.0426% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.57, residual support = 90.1:
    * O T HB3   PHE   72 - HA    PHE   72   2.53 +/- 0.16  85.168% * 97.5694% (0.66  10.0 10.00   4.58  90.29) =  99.842%  kept
          HB2   ASP-  44 - HA    PHE   72   8.07 +/- 2.15   6.391% *  1.9674% (0.72   1.0  1.00   0.37   0.02) =   0.151%  kept
          HG12  ILE  119 - HA    PHE   72  14.49 +/- 4.67   4.311% *  0.0504% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HA    PHE   72  13.57 +/- 4.89   1.383% *  0.1115% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - HA    PHE   72  13.91 +/- 3.67   1.003% *  0.1038% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          QB    MET   11 - HA    PHE   72  17.73 +/- 3.44   0.389% *  0.0901% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  18.49 +/- 1.47   0.261% *  0.0901% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.50 +/- 3.41   1.093% *  0.0174% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.02, residual support = 90.3:
    * O T HA    PHE   72 - HB2   PHE   72   2.59 +/- 0.13 100.000% *100.0000% (0.64  10.0 10.00   4.02  90.29) = 100.000%  kept
    Distance limit 3.99 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 = 4.21, residual support = 90.3:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  94.487% * 99.4196% (0.72  10.0 10.00   4.21  90.29) =  99.995%  kept
          HB2   ASP-  44 - HB2   PHE   72   7.13 +/- 1.52   2.014% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB2   PHE   72  13.42 +/- 4.41   2.132% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HB2   PHE   72  13.94 +/- 4.34   0.464% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HB2   PHE   72  14.20 +/- 3.12   0.292% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  17.90 +/- 3.44   0.169% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  18.10 +/- 1.41   0.091% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.89 +/- 3.03   0.351% *  0.0177% (0.13   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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.58, residual support = 90.3:
    * O T HA    PHE   72 - HB3   PHE   72   2.53 +/- 0.16 100.000% *100.0000% (0.66  10.0 10.00   4.58  90.29) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 4.2, residual support = 89.8:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  91.336% * 89.2023% (0.72  10.0 10.00   4.21  90.29) =  98.934%  kept
          HA    ALA   64 - HB3   PHE   72   5.66 +/- 1.30   8.160% * 10.7576% (0.63   1.0  1.00   2.77  45.90) =   1.066%  kept
          HB3   ASN   69 - HB3   PHE   72  10.20 +/- 0.95   0.503% *  0.0401% (0.33   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 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 173.8:
    * O T HB2   LEU   73 - HA    LEU   73   2.40 +/- 0.26  94.289% * 99.4108% (1.00  10.0 10.00   5.00 173.81) =  99.996%  kept
          QD    LYS+ 106 - HA    LEU   73  14.67 +/- 2.19   0.632% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LEU   73  16.45 +/- 2.99   0.617% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    LEU   73  12.99 +/- 3.52   1.854% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LEU   73  14.44 +/- 2.11   0.551% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LEU   73  15.07 +/- 2.91   0.661% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  21.61 +/- 4.72   0.321% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  21.40 +/- 4.34   0.255% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  14.69 +/- 1.99   0.564% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.38 +/- 2.38   0.255% *  0.0409% (0.41   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.993, support = 5.22, residual support = 172.4:
    * O T HB3   LEU   73 - HA    LEU   73   2.63 +/- 0.27  70.659% * 93.1458% (1.00  10.0 10.00   5.24 173.81) =  99.012%  kept
          HB3   LYS+  74 - HA    LEU   73   4.73 +/- 0.48  14.326% *  3.6206% (0.18   1.0  1.00   4.44  43.08) =   0.780%  kept
          HB    VAL   42 - HA    LEU   73   7.77 +/- 1.72   5.168% *  2.5652% (0.99   1.0  1.00   0.56   0.64) =   0.199%  kept
          HG3   LYS+  65 - HA    LEU   73  11.17 +/- 2.35   1.760% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    LEU   73  12.88 +/- 3.95   1.394% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - HA    LEU   73  11.15 +/- 2.06   1.467% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LEU   73  15.86 +/- 4.26   0.717% *  0.0603% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  15.37 +/- 2.26   0.467% *  0.0860% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LEU   73  18.44 +/- 3.76   0.415% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   73  13.24 +/- 2.72   1.030% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   73  12.86 +/- 2.80   1.040% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.14 +/- 1.08   0.659% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  20.15 +/- 2.67   0.213% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.86 +/- 5.06   0.482% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  21.00 +/- 3.54   0.202% *  0.0163% (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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.22, residual support = 170.8:
    *   T QD1   LEU   73 - HA    LEU   73   3.73 +/- 0.44  69.098% * 86.1036% (1.00 10.00   5.30 173.81) =  98.291%  kept
        T QD1   LEU   63 - HA    LEU   73   9.10 +/- 1.77   7.702% * 12.5356% (1.00 10.00   0.29   0.02) =   1.595%  kept
          QD2   LEU   63 - HA    LEU   73   9.26 +/- 1.58   6.808% *  0.7173% (0.57  1.00   0.29   0.02) =   0.081%
        T QD1   LEU  104 - HA    LEU   73  12.68 +/- 2.41   2.612% *  0.4875% (0.57 10.00   0.02   0.02) =   0.021%
          QD2   LEU   80 - HA    LEU   73  10.32 +/- 2.83   5.131% *  0.0689% (0.80  1.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HA    LEU   73  13.21 +/- 3.67   4.539% *  0.0719% (0.84  1.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - HA    LEU   73  10.43 +/- 2.46   4.111% *  0.0151% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.17, residual support = 173.5:
    *   T QD2   LEU   73 - HA    LEU   73   3.08 +/- 0.54  72.775% * 97.9079% (1.00 10.00   6.18 173.81) =  99.834%  kept
          QG1   VAL   43 - HA    LEU   73   6.83 +/- 1.88  13.927% *  0.5390% (0.28  1.00   0.40   2.53) =   0.105%  kept
          HG    LEU   31 - HA    LEU   73  11.42 +/- 2.85   3.188% *  1.0875% (0.97  1.00   0.23   0.41) =   0.049%
          QD1   ILE   56 - HA    LEU   73  12.67 +/- 3.36   4.548% *  0.0878% (0.90  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - HA    LEU   73  19.08 +/- 4.52   0.723% *  0.3340% (0.34 10.00   0.02   0.02) =   0.003%
          QG1   VAL   41 - HA    LEU   73   8.86 +/- 1.76   4.839% *  0.0439% (0.45  1.00   0.02   0.02) =   0.003%
    Distance limit 2.99 A violated in 0 structures by 0.26 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 173.8:
    * O T HA    LEU   73 - HB2   LEU   73   2.40 +/- 0.26 100.000% *100.0000% (1.00  10.0 10.00   5.00 173.81) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.24, residual support = 173.6:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  90.776% * 92.1429% (1.00  10.0 10.00   5.24 173.81) =  99.821%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.46 +/- 0.77   3.663% *  3.5782% (0.18   1.0  1.00   4.43  43.08) =   0.156%  kept
        T HG3   LYS+  65 - HB2   LEU   73  12.45 +/- 2.45   0.759% *  0.9133% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  33 - HB2   LEU   73  12.92 +/- 4.75   0.667% *  0.8892% (0.97   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   PRO   93 - HB2   LEU   73  13.40 +/- 3.43   0.525% *  0.3458% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HB2   LEU   73  15.61 +/- 2.71   0.181% *  0.8506% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HB2   LEU   73   8.93 +/- 1.67   0.976% *  0.0913% (0.99   1.0  1.00   0.02   0.64) =   0.001%
        T HG3   LYS+ 102 - HB2   LEU   73  20.34 +/- 3.16   0.075% *  0.9194% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HB2   LEU   73  16.13 +/- 4.94   0.723% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HB2   LEU   73  18.84 +/- 4.73   0.281% *  0.0903% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  11.56 +/- 2.33   0.479% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  13.25 +/- 3.02   0.383% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  12.76 +/- 1.11   0.252% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.62 +/- 5.47   0.196% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  21.72 +/- 3.66   0.065% *  0.0161% (0.18   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 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 173.1:
    * O T QD1   LEU   73 - HB2   LEU   73   2.47 +/- 0.41  74.713% * 86.6832% (1.00  10.0 10.00   5.29 173.81) =  99.571%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.17 +/- 1.92   2.072% * 12.6200% (1.00   1.0 10.00   0.29   0.02) =   0.402%  kept
          QD2   LEU  115 - HB2   LEU   73  13.58 +/- 4.51  14.801% *  0.0724% (0.84   1.0  1.00   0.02   0.02) =   0.016%
        T QD1   LEU  104 - HB2   LEU   73  13.31 +/- 2.60   0.662% *  0.4908% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - HB2   LEU   73   9.82 +/- 3.43   3.864% *  0.0694% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU   73  10.47 +/- 1.56   1.694% *  0.0491% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU   73  10.17 +/- 2.66   2.196% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 6.17, residual support = 173.3:
    * O T QD2   LEU   73 - HB2   LEU   73   2.74 +/- 0.37  78.769% * 96.7978% (1.00  10.0 10.00   6.18 173.81) =  99.708%  kept
          QG1   VAL   43 - HB2   LEU   73   7.08 +/- 2.02   9.717% *  1.8671% (0.28   1.0  1.00   1.39   2.53) =   0.237%  kept
        T QD1   ILE   56 - HB2   LEU   73  13.16 +/- 4.21   4.064% *  0.8681% (0.90   1.0 10.00   0.02   0.02) =   0.046%
          HG    LEU   31 - HB2   LEU   73  11.12 +/- 3.71   2.905% *  0.0934% (0.97   1.0  1.00   0.02   0.41) =   0.004%
        T HG3   LYS+ 121 - HB2   LEU   73  19.82 +/- 4.94   0.595% *  0.3302% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   41 - HB2   LEU   73   9.28 +/- 1.98   3.951% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.35 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 = 173.8:
    * O T HA    LEU   73 - HB3   LEU   73   2.63 +/- 0.27 100.000% *100.0000% (1.00  10.0 10.00   5.24 173.81) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 173.8:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  97.480% * 98.2609% (1.00  10.0 10.00   5.24 173.81) =  99.997%  kept
        T HD2   LYS+ 111 - HB3   LEU   73  21.33 +/- 5.17   0.128% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU   73  18.21 +/- 2.69   0.109% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.26 +/- 3.91   1.076% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  15.92 +/- 3.15   0.230% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.32 +/- 2.45   0.232% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.98 +/- 2.21   0.208% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  14.75 +/- 3.00   0.273% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  22.06 +/- 4.40   0.079% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  15.21 +/- 2.07   0.184% *  0.0219% (0.22   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 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.47, residual support = 173.1:
    * O T QD1   LEU   73 - HB3   LEU   73   2.49 +/- 0.32  82.553% * 86.1451% (1.00  10.0 10.00   5.49 173.81) =  99.576%  kept
        T QD1   LEU   63 - HB3   LEU   73   9.82 +/- 1.77   2.097% * 12.5416% (1.00   1.0 10.00   0.29   0.02) =   0.368%  kept
        T QD2   LEU   80 - HB3   LEU   73   9.56 +/- 3.55   3.491% *  0.6898% (0.80   1.0 10.00   0.02   0.02) =   0.034%
        T QD1   LEU  104 - HB3   LEU   73  13.00 +/- 2.78   2.265% *  0.4877% (0.57   1.0 10.00   0.02   0.02) =   0.015%
          QD2   LEU  115 - HB3   LEU   73  13.29 +/- 4.06   4.954% *  0.0720% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB3   LEU   73  10.09 +/- 1.57   1.679% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU   73   9.77 +/- 3.07   2.961% *  0.0151% (0.18   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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.62, residual support = 173.7:
    * O T QD2   LEU   73 - HB3   LEU   73   2.90 +/- 0.35  71.056% * 99.1570% (1.00  10.0 10.00   6.63 173.81) =  99.915%  kept
        T QG1   VAL   43 - HB3   LEU   73   6.62 +/- 2.31  18.367% *  0.2757% (0.28   1.0 10.00   0.02   2.53) =   0.072%
          HG    LEU   31 - HB3   LEU   73  10.76 +/- 3.62   3.449% *  0.0957% (0.97   1.0  1.00   0.02   0.41) =   0.005%
          QD1   ILE   56 - HB3   LEU   73  12.92 +/- 3.68   2.566% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   73  19.48 +/- 4.91   0.659% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   41 - HB3   LEU   73   9.11 +/- 1.85   3.904% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.33 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 = 5.22, residual support = 171.0:
    *   T HA    LEU   73 - QD1   LEU   73   3.73 +/- 0.44  86.866% * 87.1054% (1.00 10.00   5.30 173.81) =  98.367%  kept
        T HA    LEU   73 - QD1   LEU   63   9.10 +/- 1.77   9.850% * 12.6814% (1.00 10.00   0.29   0.02) =   1.624%  kept
        T HA    LEU   73 - QD1   LEU  104  12.68 +/- 2.41   3.284% *  0.2132% (0.24 10.00   0.02   0.02) =   0.009%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.951, support = 5.09, residual support = 165.3:
    * O T HB2   LEU   73 - QD1   LEU   73   2.47 +/- 0.41  28.919% * 91.6916% (1.00  10.0 10.00   5.29 173.81) =  94.569%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.83 +/- 1.07  27.405% *  4.0428% (0.05   1.0 10.00   1.62  17.37) =   3.951%  kept
          QD    LYS+  99 - QD1   LEU  104   3.26 +/- 1.15  20.696% *  1.9300% (0.23   1.0  1.00   1.86  17.37) =   1.425%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.17 +/- 1.92   0.749% *  0.9169% (1.00   1.0 10.00   0.02   0.02) =   0.024%
          QG1   ILE   56 - QD1   LEU   63   6.34 +/- 1.78   7.426% *  0.0283% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          QG1   ILE   56 - QD1   LEU   73  11.75 +/- 3.91   5.004% *  0.0283% (0.31   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LEU   73 - QD1   LEU  104  13.31 +/- 2.60   0.273% *  0.2244% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU   63  11.00 +/- 2.70   0.582% *  0.0867% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - QD1   LEU   63  11.53 +/- 3.14   0.844% *  0.0593% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD1   LEU   73  13.68 +/- 3.00   0.556% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU   73  11.64 +/- 2.74   0.512% *  0.0867% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD1   LEU   63  10.70 +/- 2.01   0.487% *  0.0846% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   63  13.28 +/- 3.35   0.390% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   63  11.66 +/- 3.22   0.521% *  0.0556% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  12.28 +/- 1.85   0.275% *  0.0846% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   73  12.95 +/- 2.74   0.390% *  0.0556% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   63  13.99 +/- 2.85   0.230% *  0.0822% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   8.08 +/- 0.80   0.835% *  0.0212% (0.23   1.0  1.00   0.02   0.11) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   7.17 +/- 1.33   1.600% *  0.0092% (0.10   1.0  1.00   0.02   0.32) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   73  18.26 +/- 4.61   0.176% *  0.0822% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD1   LEU   63  11.21 +/- 1.99   0.416% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.83 +/- 4.11   0.118% *  0.0593% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  14.12 +/- 5.04   0.446% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  14.47 +/- 2.78   0.169% *  0.0377% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  12.39 +/- 1.85   0.301% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  15.22 +/- 1.80   0.137% *  0.0377% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.15 +/- 1.48   0.094% *  0.0217% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  12.93 +/- 2.82   0.265% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.91 +/- 2.16   0.083% *  0.0201% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  16.89 +/- 1.83   0.103% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.99, support = 5.44, residual support = 171.0:
    * O T HB3   LEU   73 - QD1   LEU   73   2.49 +/- 0.32  30.969% * 87.8788% (1.00  10.0 10.00   5.49 173.81) =  98.206%  kept
          HB    VAL   42 - QD1   LEU   73   7.29 +/- 1.95   4.149% *  4.5573% (0.99   1.0  1.00   1.05   0.64) =   0.682%  kept
          HB3   LYS+  74 - QD1   LEU   73   5.81 +/- 1.04   4.520% *  3.4344% (0.18   1.0  1.00   4.46  43.08) =   0.560%  kept
          QB    LEU   98 - QD1   LEU  104   4.68 +/- 1.06   9.454% *  1.1801% (0.09   1.0  1.00   2.92  10.11) =   0.403%  kept
          HG    LEU   98 - QD1   LEU  104   5.50 +/- 1.03   3.688% *  0.3260% (0.06   1.0  1.00   1.22  10.11) =   0.043%
          HB    VAL   42 - QD1   LEU   63   6.34 +/- 2.02   7.948% *  0.0871% (0.99   1.0  1.00   0.02   0.02) =   0.025%
        T HB3   LEU   73 - QD1   LEU   63   9.82 +/- 1.77   0.726% *  0.8788% (1.00   1.0 10.00   0.02   0.02) =   0.023%
          HG3   LYS+  65 - QD1   LEU   73  11.01 +/- 2.51   4.747% *  0.0871% (0.99   1.0  1.00   0.02   0.02) =   0.015%
          HG3   LYS+  65 - QD1   LEU   63   7.53 +/- 1.13   1.485% *  0.0871% (0.99   1.0  1.00   0.02   3.33) =   0.005%
          HG3   LYS+  33 - QD1   LEU   73  10.11 +/- 4.27   1.481% *  0.0848% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   12 - QD1   LEU   73  13.77 +/- 3.95   1.622% *  0.0568% (0.65   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU   73 - QD1   LEU  104  13.00 +/- 2.78   0.399% *  0.2151% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - QD1   LEU   73  16.09 +/- 4.23   0.936% *  0.0861% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD1   LEU   73   8.91 +/- 2.36   1.695% *  0.0330% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD1   LEU   63  10.78 +/- 2.42   0.571% *  0.0861% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - QD1   LEU   63  14.18 +/- 3.75   0.861% *  0.0568% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   73  12.37 +/- 2.69   0.547% *  0.0811% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   LEU   63   9.16 +/- 2.60   2.877% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QD1   LEU  104   7.66 +/- 1.21   2.013% *  0.0215% (0.24   1.0  1.00   0.02   0.32) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   63  11.11 +/- 2.77   0.493% *  0.0811% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU  104   7.38 +/- 1.88   1.702% *  0.0213% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   63   9.88 +/- 3.09   1.034% *  0.0330% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73  10.24 +/- 2.95   1.385% *  0.0219% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   73  11.47 +/- 2.71   0.907% *  0.0330% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  13.85 +/- 2.49   0.335% *  0.0848% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   7.52 +/- 0.64   1.285% *  0.0199% (0.23   1.0  1.00   0.02   0.11) =   0.001%
          QB    LEU   98 - QD1   LEU   63   9.99 +/- 1.75   0.628% *  0.0330% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU  104  12.13 +/- 3.10   0.960% *  0.0208% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU   73  15.91 +/- 3.19   0.209% *  0.0877% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU  104  10.43 +/- 6.26   4.758% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.44 +/- 1.48   0.484% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU   63  11.43 +/- 3.12   0.993% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  11.53 +/- 2.40   0.541% *  0.0219% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  16.89 +/- 2.02   0.131% *  0.0877% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  12.81 +/- 2.67   0.636% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.82 +/- 2.61   0.254% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.39 +/- 5.10   0.493% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  14.31 +/- 2.31   0.208% *  0.0213% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  16.42 +/- 3.49   0.232% *  0.0139% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.21 +/- 5.31   0.819% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  16.80 +/- 2.21   0.125% *  0.0211% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  18.23 +/- 3.37   0.139% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  14.94 +/- 1.41   0.154% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.32 +/- 1.97   0.154% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  14.49 +/- 2.69   0.252% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 0.997, support = 6.4, residual support = 170.6:
    * O T QD2   LEU   73 - QD1   LEU   73   2.03 +/- 0.07  45.924% * 71.4443% (1.00  10.0 10.00   6.50 173.81) =  98.159%  kept
        T QD2   LEU   73 - QD1   LEU   63   7.58 +/- 1.85   1.712% * 21.1556% (1.00   1.0 10.00   0.59   0.02) =   1.084%  kept
          HG    LEU   31 - QD1   LEU   73   7.90 +/- 4.01   2.734% *  4.7395% (0.97   1.0  1.00   1.37   0.41) =   0.388%  kept
          QG1   VAL   43 - QD1   LEU   73   5.47 +/- 2.25   9.922% *  0.9653% (0.28   1.0  1.00   0.97   2.53) =   0.287%  kept
        T QG1   VAL   41 - QD1   LEU   73   7.10 +/- 1.79   1.935% *  0.3203% (0.45   1.0 10.00   0.02   0.02) =   0.019%
          QD1   ILE   56 - QD1   LEU   63   6.27 +/- 2.07   8.772% *  0.0641% (0.90   1.0  1.00   0.02   0.02) =   0.017%
        T QG1   VAL   41 - QD1   LEU  104   5.94 +/- 1.74   6.208% *  0.0784% (0.11   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   LYS+ 121 - QD1   LEU  104  10.00 +/- 6.26   3.879% *  0.0597% (0.08   1.0 10.00   0.02   0.02) =   0.007%
        T QG1   VAL   41 - QD1   LEU   63   9.36 +/- 1.48   0.616% *  0.3203% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - QD1   LEU   63  11.35 +/- 3.01   0.595% *  0.2437% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - QD1   LEU   73  11.39 +/- 3.68   2.173% *  0.0641% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU   73 - QD1   LEU  104   9.91 +/- 2.20   0.614% *  0.1749% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   31 - QD1   LEU   63  11.99 +/- 4.00   1.124% *  0.0689% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - QD1   LEU   73  16.42 +/- 4.83   0.300% *  0.2437% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU   63   8.04 +/- 2.15   2.853% *  0.0199% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU  104   7.86 +/- 2.39   9.100% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  11.01 +/- 3.83   1.281% *  0.0169% (0.24   1.0  1.00   0.02   0.11) =   0.001%
          QD1   ILE   56 - QD1   LEU  104  12.55 +/- 2.16   0.258% *  0.0157% (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 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 173.8:
    *   T HA    LEU   73 - QD2   LEU   73   3.08 +/- 0.54  99.002% * 99.6602% (1.00 10.00   6.18 173.81) =  99.997%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.08 +/- 4.52   0.998% *  0.3398% (0.34 10.00   0.02   0.02) =   0.003%
    Distance limit 3.18 A violated in 0 structures by 0.15 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.997, support = 6.16, residual support = 173.2:
    * O T HB2   LEU   73 - QD2   LEU   73   2.74 +/- 0.37  69.209% * 91.8493% (1.00  10.0 10.00   6.18 173.81) =  99.624%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.53 +/- 0.95   3.130% *  6.7856% (0.22   1.0 10.00   0.67   2.86) =   0.333%  kept
        T QG1   ILE   56 - QD2   LEU   73  11.17 +/- 3.31   5.810% *  0.2835% (0.31   1.0 10.00   0.02   0.02) =   0.026%
        T HB2   LEU   73 - HG3   LYS+ 121  19.82 +/- 4.94   0.512% *  0.3132% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   92 - QD2   LEU   73  14.03 +/- 2.83   1.800% *  0.0886% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - QD2   LEU   73  11.64 +/- 2.64   1.679% *  0.0869% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD2   LEU   73  11.31 +/- 1.58   1.472% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HG3   LYS+ 121  13.27 +/- 6.45   4.139% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+ 121  13.23 +/- 1.88   1.048% *  0.0967% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HG3   LYS+ 121  13.20 +/- 5.10   2.151% *  0.0296% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU   73  13.02 +/- 2.47   1.048% *  0.0557% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  18.12 +/- 4.16   0.526% *  0.0824% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD2   LEU   73  17.66 +/- 3.98   0.650% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  14.38 +/- 2.45   0.807% *  0.0378% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  11.41 +/- 1.82   1.481% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  16.97 +/- 7.20   1.903% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  14.40 +/- 6.90   1.911% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  18.18 +/- 1.85   0.309% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  20.67 +/- 1.46   0.190% *  0.0302% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.66 +/- 1.84   0.227% *  0.0190% (0.21   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 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.931, support = 6.52, residual support = 178.7:
    * O T HB3   LEU   73 - QD2   LEU   73   2.90 +/- 0.35  29.554% * 85.4947% (1.00  10.0 10.00   6.63 173.81) =  91.649%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.66 +/- 0.30  36.818% *  4.4983% (0.05  10.0 10.00   5.98 313.78) =   6.007%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.35 +/- 1.05   8.838% *  4.2571% (0.18   1.0  1.00   5.69  43.08) =   1.365%  kept
          HB    VAL   42 - QD2   LEU   73   6.16 +/- 1.81   5.828% *  4.4876% (0.99   1.0  1.00   1.06   0.64) =   0.949%  kept
          HG3   LYS+  33 - QD2   LEU   73   9.77 +/- 3.64   1.905% *  0.0825% (0.97   1.0  1.00   0.02   0.02) =   0.006%
          HG3   LYS+  65 - QD2   LEU   73   9.87 +/- 1.99   1.333% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 121 - QD2   LEU   73  15.42 +/- 4.50   0.630% *  0.1319% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD2   LEU   73   8.55 +/- 2.39   2.498% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QD2   LEU   73   9.70 +/- 2.94   3.339% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU   73 - HG3   LYS+ 121  19.48 +/- 4.91   0.196% *  0.2915% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - QD2   LEU   73  13.21 +/- 3.24   1.027% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD2   LEU   73  12.18 +/- 2.57   0.535% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD2   LEU   73  15.62 +/- 3.86   0.427% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  13.44 +/- 5.64   0.867% *  0.0269% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD2   LEU   73  11.46 +/- 2.42   0.707% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  15.74 +/- 2.88   0.240% *  0.0853% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  11.14 +/- 1.43   0.615% *  0.0292% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HG3   LYS+ 121  14.56 +/- 4.67   0.611% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HG3   LYS+ 121  18.96 +/- 7.81   0.404% *  0.0291% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  22.06 +/- 6.74   0.340% *  0.0281% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  14.29 +/- 5.53   0.590% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  17.78 +/- 2.60   0.215% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   8.78 +/- 1.08   1.179% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.42 +/- 1.16   0.164% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  22.63 +/- 7.57   0.245% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  17.22 +/- 3.29   0.207% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  16.40 +/- 6.51   0.365% *  0.0073% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.88 +/- 1.20   0.125% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  21.70 +/- 2.24   0.077% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  20.43 +/- 4.07   0.122% *  0.0051% (0.06   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 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 172.0:
    * O T QD1   LEU   73 - QD2   LEU   73   2.03 +/- 0.07  71.325% * 76.1201% (1.00  10.0 10.00   6.50 173.81) =  98.953%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.58 +/- 1.85   2.433% * 22.5402% (1.00   1.0 10.00   0.59   0.02) =   0.999%  kept
        T QD1   LEU  104 - HG3   LYS+ 121  10.00 +/- 6.26   5.683% *  0.1470% (0.19   1.0 10.00   0.02   0.02) =   0.015%
          QD2   LEU  115 - QD2   LEU   73  11.00 +/- 3.64  10.193% *  0.0636% (0.84   1.0  1.00   0.02   0.02) =   0.012%
        T QD1   LEU  104 - QD2   LEU   73   9.91 +/- 2.20   1.176% *  0.4310% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   63 - HG3   LYS+ 121  11.35 +/- 3.01   0.904% *  0.2596% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - QD2   LEU   73   8.63 +/- 3.13   2.617% *  0.0610% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - HG3   LYS+ 121  16.42 +/- 4.83   0.422% *  0.2596% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QD2   LEU   73   7.79 +/- 1.56   1.887% *  0.0431% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU   73   8.68 +/- 2.62   1.928% *  0.0133% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121  10.36 +/- 0.70   0.558% *  0.0217% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121  11.46 +/- 3.03   0.700% *  0.0147% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.35 +/- 2.79   0.074% *  0.0208% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  19.91 +/- 3.25   0.100% *  0.0045% (0.06   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 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   2.71 +/- 0.27  81.799% * 99.4757% (0.64  10.0 10.00   6.31 186.64) =  99.989%  kept
          HG    LEU   67 - HA    LYS+  74   9.35 +/- 3.42   6.932% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HA    LYS+  74  10.61 +/- 2.99   2.792% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - HA    LYS+  74  14.11 +/- 3.15   1.734% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+  74  11.15 +/- 3.89   2.231% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    LYS+  74  13.47 +/- 2.18   0.933% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  74  11.45 +/- 2.13   1.632% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.43 +/- 2.36   0.380% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  13.54 +/- 2.95   1.214% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.45 +/- 3.11   0.353% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 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   2.54 +/- 0.46  88.345% * 99.1206% (0.80  10.0 10.00   6.28 186.64) =  99.990%  kept
          HG13  ILE   19 - HA    LYS+  74  12.39 +/- 6.79   3.080% *  0.0915% (0.74   1.0  1.00   0.02   7.69) =   0.003%
          HG    LEU   71 - HA    LYS+  74  11.29 +/- 1.44   1.469% *  0.0989% (0.80   1.0  1.00   0.02   1.13) =   0.002%
        T HG3   LYS+ 111 - HA    LYS+  74  19.39 +/- 3.32   0.323% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    LYS+  74  12.12 +/- 1.62   1.476% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+  74  13.10 +/- 2.02   1.563% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  74  12.38 +/- 1.23   1.069% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    LYS+  74  17.82 +/- 2.25   0.431% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  12.05 +/- 3.27   1.960% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  20.04 +/- 1.94   0.284% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.55, residual support = 180.0:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.57 +/- 0.38  41.784% * 92.2655% (0.80  10.0 10.00   5.57 186.64) =  95.747%  kept
          HB    VAL   75 - HA    LYS+  74   4.35 +/- 0.21  22.984% *  7.3259% (0.25   1.0  1.00   5.15  31.83) =   4.182%  kept
          QD1   LEU   67 - HA    LYS+  74   6.68 +/- 3.06  27.237% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.058%
          QD2   LEU   71 - HA    LYS+  74   8.67 +/- 0.95   3.265% *  0.0634% (0.55   1.0  1.00   0.02   1.13) =   0.005%
          QD2   LEU   40 - HA    LYS+  74  10.77 +/- 2.00   2.150% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.004%
          QG2   ILE  103 - HA    LYS+  74  13.57 +/- 1.10   0.773% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LYS+  74  13.31 +/- 1.64   0.919% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    LYS+  74  14.33 +/- 2.60   0.889% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.32 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.6:
    *   T HD2   LYS+  74 - HA    LYS+  74   3.23 +/- 0.49  77.814% * 99.2156% (0.80 10.00   5.91 186.64) =  99.978%  kept
          QB    ALA   57 - HA    LYS+  74  11.57 +/- 3.55   8.721% *  0.0861% (0.69  1.00   0.02   0.02) =   0.010%
          QD    LYS+  65 - HA    LYS+  74   9.82 +/- 2.93   7.190% *  0.0562% (0.45  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HA    LYS+  74  17.57 +/- 2.54   0.818% *  0.3384% (0.27 10.00   0.02   0.02) =   0.004%
          HB    VAL   83 - HA    LYS+  74  11.53 +/- 1.87   2.591% *  0.0483% (0.39  1.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - HA    LYS+  74  14.75 +/- 3.25   1.420% *  0.0562% (0.45  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LYS+  74  20.62 +/- 3.91   0.478% *  0.0829% (0.67  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  74  18.03 +/- 2.61   0.620% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.96 +/- 3.35   0.349% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.28 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   2.90 +/- 0.64  82.232% * 99.7560% (0.80 10.00   4.93 186.64) =  99.990%  kept
          HB2   PHE   72 - HA    LYS+  74   6.46 +/- 0.77  11.655% *  0.0308% (0.25  1.00   0.02   1.79) =   0.004%
          QB    CYS   50 - HA    LYS+  74  12.06 +/- 2.79   3.049% *  0.0995% (0.80  1.00   0.02   0.02) =   0.004%
          HB3   ASN   69 - HA    LYS+  74  13.90 +/- 2.15   1.306% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+  74  11.49 +/- 0.92   1.758% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 2.87 A violated in 0 structures by 0.28 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   2.71 +/- 0.27  98.150% * 99.8966% (0.64  10.0 10.00   6.31 186.64) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  13.45 +/- 1.69   1.072% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  15.16 +/- 1.85   0.779% *  0.0278% (0.18   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 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.84, residual support = 186.5:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.98 +/- 0.08  85.825% * 98.2984% (0.80  10.0 10.00   5.85 186.64) =  99.943%  kept
          HG13  ILE   19 - HB2   LYS+  74  12.23 +/- 6.79   4.517% *  0.9203% (0.74   1.0  1.00   0.20   7.69) =   0.049%
          HG    LEU   71 - HB2   LYS+  74  11.88 +/- 2.20   2.169% *  0.0981% (0.80   1.0  1.00   0.02   1.13) =   0.003%
        T HG3   LYS+ 111 - HB2   LYS+  74  20.99 +/- 3.82   0.334% *  0.3689% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HB2   LYS+  74  12.57 +/- 2.02   1.444% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  74  13.49 +/- 1.69   1.210% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB2   LYS+  74  19.08 +/- 3.19   0.596% *  0.0981% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  74  13.13 +/- 3.71   2.585% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+  74  14.49 +/- 2.07   0.964% *  0.0441% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   LYS+  74  20.60 +/- 3.05   0.357% *  0.0335% (0.27   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 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.796, support = 5.24, residual support = 184.6:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.68 +/- 0.15  58.668% * 91.5696% (0.80  10.0 10.00   5.27 186.64) =  98.761%  kept
          HB    VAL   75 - HB2   LYS+  74   6.15 +/- 0.64   6.242% *  6.5251% (0.25   1.0  1.00   4.62  31.83) =   0.749%  kept
        T QD1   LEU   67 - HB2   LYS+  74   7.19 +/- 3.49  24.687% *  0.8453% (0.74   1.0 10.00   0.02   0.02) =   0.384%  kept
        T QD2   LEU   40 - HB2   LYS+  74  11.91 +/- 2.86   6.765% *  0.8212% (0.72   1.0 10.00   0.02   0.02) =   0.102%  kept
          QD2   LEU   71 - HB2   LYS+  74   8.99 +/- 1.68   2.269% *  0.0629% (0.55   1.0  1.00   0.02   1.13) =   0.003%
          QG2   ILE  103 - HB2   LYS+  74  15.13 +/- 1.57   0.376% *  0.0898% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  14.76 +/- 2.02   0.463% *  0.0518% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  15.27 +/- 3.25   0.530% *  0.0344% (0.30   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 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 186.6:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.29 +/- 0.33  90.266% * 97.4681% (0.80  10.0 10.00   6.31 186.64) =  99.973%  kept
        T QD    LYS+  65 - HB2   LYS+  74  10.13 +/- 3.21   2.578% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.016%
          QB    ALA   57 - HB2   LYS+  74  12.25 +/- 4.33   4.669% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HB2   LYS+  74  18.11 +/- 3.37   0.746% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.37 +/- 3.56   0.214% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.12 +/- 4.55   0.150% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB2   LYS+  74  12.32 +/- 2.19   0.800% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  14.83 +/- 2.93   0.458% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.97 +/- 4.16   0.120% *  0.0552% (0.45   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 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   3.35 +/- 0.57  73.393% * 99.7560% (0.80 10.00   4.62 186.64) =  99.975%  kept
          QB    CYS   50 - HB2   LYS+  74  12.76 +/- 3.44  13.048% *  0.0995% (0.80  1.00   0.02   0.02) =   0.018%
          HB2   PHE   72 - HB2   LYS+  74   7.68 +/- 1.06   9.181% *  0.0308% (0.25  1.00   0.02   1.79) =   0.004%
          HB3   ASN   69 - HB2   LYS+  74  14.51 +/- 3.03   2.082% *  0.0762% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   LYS+  74  11.70 +/- 1.17   2.296% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.69 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   2.54 +/- 0.46  89.396% * 99.7790% (0.80  10.0 10.00   6.28 186.64) =  99.998%  kept
          HA    THR   94 - HG2   LYS+  74  12.06 +/- 1.62   1.233% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  74 - HG3   LYS+ 111  19.39 +/- 3.32   0.327% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  13.55 +/- 2.09   1.116% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.08 +/- 2.30   3.800% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  12.36 +/- 3.82   4.128% *  0.0030% (0.02   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 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   2.98 +/- 0.08  67.688% * 99.3145% (0.80  10.0 10.00   5.85 186.64) =  99.983%  kept
          HG    LEU   67 - HG2   LYS+  74  10.22 +/- 4.10   8.325% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HG2   LYS+  74  10.97 +/- 3.59   4.119% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  115 - HG2   LYS+  74  14.54 +/- 3.89   2.628% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HG2   LYS+  74  12.00 +/- 4.14   1.990% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG2   LYS+  74  15.18 +/- 2.36   0.928% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - HG2   LYS+  74  14.04 +/- 3.62   1.826% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HG2   LYS+  74  13.19 +/- 2.30   1.604% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG2   LYS+  74  18.03 +/- 2.84   0.391% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  20.99 +/- 3.82   0.264% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   9.40 +/- 1.40   2.796% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.41 +/- 3.37   0.348% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   9.14 +/- 1.73   3.872% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.90 +/- 1.31   0.944% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  20.78 +/- 4.09   0.959% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  17.01 +/- 2.80   0.497% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  23.58 +/- 2.68   0.163% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  22.93 +/- 3.33   0.185% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.52 +/- 3.67   0.255% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.64 +/- 2.82   0.219% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 186.2:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  79.541% * 92.8707% (1.00  10.0 10.00   4.54 186.64) =  99.744%  kept
          HB    VAL   75 - HG2   LYS+  74   5.63 +/- 0.58   2.695% *  6.5104% (0.31   1.0  1.00   4.54  31.83) =   0.237%  kept
          QD1   LEU   67 - HG2   LYS+  74   7.46 +/- 3.66  14.760% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.017%
          QD2   LEU   40 - HG2   LYS+  74  12.18 +/- 2.27   0.974% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   LYS+  74   9.90 +/- 1.07   0.502% *  0.0638% (0.69   1.0  1.00   0.02   1.13) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.79 +/- 1.30   0.145% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.55 +/- 1.86   0.183% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  20.42 +/- 4.24   0.082% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.79 +/- 3.25   0.211% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  20.63 +/- 3.73   0.091% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.74 +/- 2.26   0.172% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  18.01 +/- 3.08   0.133% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  18.04 +/- 2.48   0.091% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  13.05 +/- 0.81   0.200% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  16.34 +/- 2.26   0.121% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.28 +/- 3.02   0.100% *  0.0031% (0.03   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 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 5.52, residual support = 197.2:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.89 +/- 0.15  43.493% * 89.4618% (1.00  10.0 10.00   5.54 186.64) =  91.587%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.86 +/- 0.22  44.425% *  7.9861% (0.09  10.0 10.00   5.40 315.03) =   8.351%  kept
        T QD    LYS+  65 - HG2   LYS+  74   9.91 +/- 3.58   3.617% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.043%
          QB    ALA   57 - HG2   LYS+  74  11.46 +/- 4.23   2.623% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.005%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.71 +/- 4.55   0.217% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  33 - HG2   LYS+  74  16.18 +/- 3.10   0.314% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG3   LYS+ 111  18.61 +/- 4.20   2.040% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG2   LYS+  74  18.97 +/- 2.78   0.212% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HG2   LYS+  74  11.67 +/- 2.36   0.954% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG3   LYS+ 111  20.05 +/- 4.01   0.209% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.99 +/- 2.87   0.196% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  13.11 +/- 2.31   0.899% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.59 +/- 4.10   0.126% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.07 +/- 2.84   0.058% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.56 +/- 2.47   0.053% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.80 +/- 1.75   0.232% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.52 +/- 2.03   0.163% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.21 +/- 3.44   0.169% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.43 +/- 0.52  86.326% * 99.6238% (1.00  10.0 10.00   4.54 186.64) =  99.993%  kept
          QB    CYS   50 - HG2   LYS+  74  11.64 +/- 2.89   3.187% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   72 - HG2   LYS+  74   8.30 +/- 1.05   3.017% *  0.0307% (0.31   1.0  1.00   0.02   1.79) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  10.53 +/- 1.62   1.944% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - HG3   LYS+ 111  16.73 +/- 3.69   0.629% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG2   LYS+  74  15.00 +/- 2.79   0.470% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  13.21 +/- 3.46   1.605% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  20.57 +/- 5.99   2.501% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  25.24 +/- 3.73   0.132% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.51 +/- 3.20   0.188% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.57 +/- 0.38  94.775% * 99.8966% (0.80  10.0 10.00   5.57 186.64) =  99.997%  kept
          HA    THR   94 - HG3   LYS+  74  13.18 +/- 1.93   2.291% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HG3   LYS+  74  14.48 +/- 2.38   2.934% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.27, residual support = 186.6:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.68 +/- 0.15  77.399% * 98.5261% (0.80  10.0 10.00   5.27 186.64) =  99.955%  kept
        T HG    LEU  115 - HG3   LYS+  74  15.39 +/- 4.14   2.472% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.027%
        T HG    LEU   40 - HG3   LYS+  74  13.80 +/- 2.94   2.519% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   67 - HG3   LYS+  74  10.40 +/- 4.49   8.396% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HG3   LYS+  74  11.16 +/- 3.82   3.157% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG3   LYS+  74  15.69 +/- 3.12   1.313% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HG3   LYS+  74  11.79 +/- 4.14   1.914% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - HG3   LYS+  74  14.90 +/- 4.01   2.175% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  18.62 +/- 3.19   0.348% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.14 +/- 3.93   0.308% *  0.0462% (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 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  96.604% * 99.1206% (1.00  10.0 10.00   4.54 186.64) =  99.997%  kept
          HG13  ILE   19 - HG3   LYS+  74  13.59 +/- 6.64   1.076% *  0.0915% (0.92   1.0  1.00   0.02   7.69) =   0.001%
        T HG3   LYS+ 111 - HG3   LYS+  74  20.42 +/- 4.24   0.098% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.18 +/- 1.86   0.286% *  0.0989% (1.00   1.0  1.00   0.02   1.13) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  13.03 +/- 2.02   0.322% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.05 +/- 3.55   0.182% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  12.69 +/- 4.20   0.875% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.73 +/- 1.92   0.250% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  14.35 +/- 2.30   0.240% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  21.88 +/- 3.03   0.068% *  0.0338% (0.34   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 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 +/- 0.13  84.951% * 99.2156% (1.00  10.0 10.00   4.97 186.64) =  99.987%  kept
          QB    ALA   57 - HG3   LYS+  74  11.85 +/- 4.65   5.063% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - HG3   LYS+  74  10.03 +/- 3.81   6.275% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HG3   LYS+  74  19.23 +/- 3.35   0.460% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HG3   LYS+  74  12.37 +/- 2.68   1.721% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HG3   LYS+  74  16.25 +/- 2.88   0.610% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.55 +/- 4.92   0.345% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.72 +/- 3.44   0.349% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  23.13 +/- 4.51   0.225% *  0.0562% (0.57   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 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   3.10 +/- 0.31  78.432% * 99.7560% (1.00  10.0 10.00   4.00 186.64) =  99.979%  kept
          QB    CYS   50 - HG3   LYS+  74  12.18 +/- 3.24  12.773% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.016%
          HB2   PHE   72 - HG3   LYS+  74   8.86 +/- 1.41   5.256% *  0.0308% (0.31   1.0  1.00   0.02   1.79) =   0.002%
          HB3   ASN   69 - HG3   LYS+  74  15.27 +/- 3.11   1.184% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG3   LYS+  74  10.97 +/- 1.92   2.355% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.23 +/- 0.49  94.796% * 99.6012% (0.80 10.00   5.91 186.64) =  99.995%  kept
        T HA    LYS+  74 - QD    LYS+  38  17.57 +/- 2.54   0.992% *  0.2184% (0.18 10.00   0.02   0.02) =   0.002%
          HA    THR   94 - HD2   LYS+  74  12.84 +/- 2.13   2.174% *  0.0754% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HD2   LYS+  74  14.20 +/- 2.36   1.433% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  26.04 +/- 2.15   0.223% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.55 +/- 1.37   0.382% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 186.6:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.29 +/- 0.33  74.863% * 98.0482% (0.80  10.0 10.00   6.31 186.64) =  99.967%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  10.93 +/- 3.69   2.732% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.020%
          HG    LEU   67 - HD2   LYS+  74  10.31 +/- 4.21   8.056% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - HD2   LYS+  74  15.42 +/- 3.35   1.107% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  38  18.11 +/- 3.37   0.550% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - QD    LYS+  38   7.72 +/- 1.16   3.560% *  0.0241% (0.20   1.0  1.00   0.02   0.49) =   0.001%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.67 +/- 3.57   0.175% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HD2   LYS+  74  11.87 +/- 3.82   0.988% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HD2   LYS+  74  14.97 +/- 3.50   0.478% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HD2   LYS+  74  13.53 +/- 2.99   1.655% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  18.53 +/- 2.13   0.218% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  20.01 +/- 5.41   0.240% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  18.22 +/- 2.72   0.193% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  13.58 +/- 2.97   2.006% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  14.45 +/- 3.36   0.483% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.63 +/- 1.11   1.718% *  0.0047% (0.04   1.0  1.00   0.02   0.49) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.76 +/- 1.45   0.483% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  19.16 +/- 4.42   0.254% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  22.59 +/- 2.90   0.121% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  22.16 +/- 2.46   0.121% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.10 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.883, support = 5.53, residual support = 190.4:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.89 +/- 0.15  30.152% * 88.7463% (1.00  10.0 10.00   5.54 186.64) =  87.314%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.31 +/- 0.13  57.119% *  6.6384% (0.07  10.0 10.00   5.54 220.97) =  12.373%  kept
          QG2   THR   39 - QD    LYS+  38   6.04 +/- 0.63   3.828% *  2.2349% (0.13   1.0  1.00   3.79  28.99) =   0.279%  kept
        T HG3   LYS+  99 - QD    LYS+  38   8.82 +/- 2.23   2.547% *  0.1942% (0.22   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+  99 - HD2   LYS+  74  19.85 +/- 3.22   0.216% *  0.8855% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          HG13  ILE   19 - HD2   LYS+  74  13.39 +/- 6.49   1.185% *  0.0819% (0.92   1.0  1.00   0.02   7.69) =   0.003%
        T HG3   LYS+ 111 - HD2   LYS+  74  20.05 +/- 4.01   0.138% *  0.3331% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HD2   LYS+  74  13.15 +/- 2.26   0.457% *  0.0885% (1.00   1.0  1.00   0.02   1.13) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  21.75 +/- 3.34   0.105% *  0.3027% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  18.97 +/- 2.78   0.144% *  0.1946% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.77 +/- 2.44   1.267% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HD2   LYS+  74  12.82 +/- 2.01   0.443% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74  12.37 +/- 3.66   1.191% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  13.58 +/- 1.93   0.360% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+  74  14.07 +/- 2.41   0.336% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.84 +/- 3.07   0.239% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.56 +/- 2.47   0.036% *  0.0730% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.19 +/- 1.74   0.069% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.78 +/- 2.60   0.067% *  0.0087% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.31 +/- 2.39   0.101% *  0.0039% (0.04   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 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.993, support = 4.97, residual support = 185.1:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.84 +/- 0.13  51.225% * 93.1003% (1.00  10.0 10.00   4.97 186.64) =  98.989%  kept
          HB    VAL   75 - HD2   LYS+  74   6.18 +/- 0.98   7.399% *  6.1865% (0.31   1.0  1.00   4.31  31.83) =   0.950%  kept
          QD1   LEU   67 - HD2   LYS+  74   7.55 +/- 3.64  24.081% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.043%
          QD2   LEU   40 - HD2   LYS+  74  12.52 +/- 2.81   6.143% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.011%
          QD2   LEU   71 - HD2   LYS+  74  10.08 +/- 1.74   1.454% *  0.0640% (0.69   1.0  1.00   0.02   1.13) =   0.002%
          QD2   LEU   40 - QD    LYS+  38   7.96 +/- 0.94   2.829% *  0.0183% (0.20   1.0  1.00   0.02   0.49) =   0.001%
        T HG3   LYS+  74 - QD    LYS+  38  19.23 +/- 3.35   0.182% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HD2   LYS+  74  15.36 +/- 1.46   0.352% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - QD    LYS+  38   9.47 +/- 2.31   1.894% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  15.09 +/- 2.12   0.420% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  11.32 +/- 2.33   1.060% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  14.89 +/- 3.14   0.522% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  13.28 +/- 1.96   0.732% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  13.06 +/- 2.59   1.049% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.03 +/- 4.12   0.402% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  17.37 +/- 1.81   0.259% *  0.0063% (0.07   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 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   2.29 +/- 0.12  77.510% * 99.4851% (1.00  10.0 10.00   4.97 186.64) =  99.978%  kept
          QB    CYS   50 - HD2   LYS+  74  11.64 +/- 3.56  14.365% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.018%
        T QE    LYS+  74 - QD    LYS+  38  17.46 +/- 2.78   0.290% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - QD    LYS+  38  11.29 +/- 3.94   3.728% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HD2   LYS+  74  15.01 +/- 3.49   0.813% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HD2   LYS+  74   8.72 +/- 1.04   1.661% *  0.0307% (0.31   1.0  1.00   0.02   1.79) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  10.71 +/- 1.55   0.930% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  13.24 +/- 2.18   0.557% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  24.23 +/- 2.09   0.069% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  25.02 +/- 3.08   0.076% *  0.0082% (0.08   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 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   2.90 +/- 0.64  91.538% * 99.8966% (0.80 10.00   4.93 186.64) =  99.995%  kept
          HA    THR   94 - QE    LYS+  74  10.35 +/- 1.75   5.150% *  0.0757% (0.61  1.00   0.02   0.02) =   0.004%
          HA    MET   92 - QE    LYS+  74  11.47 +/- 1.97   3.312% *  0.0278% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 4.62, residual support = 186.6:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.35 +/- 0.57  59.713% * 99.4757% (0.80 10.00   4.62 186.64) =  99.968%  kept
          HG2   LYS+  65 - QE    LYS+  74   9.42 +/- 3.39   9.976% *  0.0557% (0.45  1.00   0.02   0.02) =   0.009%
          HG    LEU   67 - QE    LYS+  74   9.23 +/- 3.59  15.795% *  0.0310% (0.25  1.00   0.02   0.02) =   0.008%
          HG    LEU  115 - QE    LYS+  74  12.39 +/- 3.13   3.620% *  0.0853% (0.69  1.00   0.02   0.02) =   0.005%
          HB3   LEU   40 - QE    LYS+  74  13.95 +/- 2.23   1.577% *  0.1114% (0.90  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - QE    LYS+  74  11.45 +/- 3.37   2.351% *  0.0654% (0.53  1.00   0.02   0.02) =   0.003%
          HB3   LEU  115 - QE    LYS+  74  11.93 +/- 2.93   3.522% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - QE    LYS+  74  15.71 +/- 2.43   0.801% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  12.19 +/- 1.99   2.020% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  17.20 +/- 2.93   0.627% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.29 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.6:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.43 +/- 0.52  84.381% * 99.1206% (1.00  10.0 10.00   4.54 186.64) =  99.989%  kept
        T HG3   LYS+ 111 - QE    LYS+  74  16.73 +/- 3.69   0.611% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - QE    LYS+  74  12.88 +/- 5.81   2.401% *  0.0915% (0.92   1.0  1.00   0.02   7.69) =   0.003%
          QG2   ILE   56 - QE    LYS+  74  10.14 +/- 3.56   6.983% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QE    LYS+  74  12.16 +/- 1.79   1.126% *  0.0989% (1.00   1.0  1.00   0.02   1.13) =   0.001%
          QB    ALA   91 - QE    LYS+  74  10.68 +/- 1.69   1.806% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  74  12.56 +/- 1.51   0.923% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  11.85 +/- 2.33   1.208% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+  74  17.77 +/- 2.43   0.348% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.93 +/- 2.34   0.213% *  0.0338% (0.34   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 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.983, support = 4.0, residual support = 182.8:
    * O T HG3   LYS+  74 - QE    LYS+  74   3.10 +/- 0.31  49.509% * 93.7831% (1.00  10.0 10.00   4.00 186.64) =  97.538%  kept
          HB    VAL   75 - QE    LYS+  74   5.04 +/- 1.20  19.776% *  5.8016% (0.31   1.0  1.00   4.01  31.83) =   2.410%  kept
          QD1   LEU   67 - QE    LYS+  74   6.80 +/- 3.02  23.435% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.043%
          QD2   LEU   71 - QE    LYS+  74   9.44 +/- 1.45   2.967% *  0.0644% (0.69   1.0  1.00   0.02   1.13) =   0.004%
          QD2   LEU   40 - QE    LYS+  74  11.17 +/- 1.96   1.335% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QE    LYS+  74  13.31 +/- 1.18   0.690% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - QE    LYS+  74  12.78 +/- 2.72   1.570% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QE    LYS+  74  13.16 +/- 1.70   0.719% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.6:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.29 +/- 0.12  82.908% * 99.2156% (1.00  10.0 10.00   4.97 186.64) =  99.985%  kept
          QB    ALA   57 - QE    LYS+  74   9.86 +/- 3.87   6.674% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          QD    LYS+  65 - QE    LYS+  74   8.45 +/- 3.56   7.640% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - QE    LYS+  74  17.46 +/- 2.78   0.309% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  10.63 +/- 2.34   1.263% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - QE    LYS+  74  17.71 +/- 4.33   0.393% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  15.18 +/- 2.71   0.364% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  16.79 +/- 2.46   0.263% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  19.67 +/- 3.65   0.187% *  0.0562% (0.57   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 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 3.44, residual support = 82.5:
    * O T HB    VAL   75 - HA    VAL   75   2.84 +/- 0.21  78.831% * 93.6709% (1.00  10.0 10.00   3.44  83.00) =  99.129%  kept
          HG3   LYS+  74 - HA    VAL   75   5.92 +/- 0.74  11.081% *  5.7868% (0.31   1.0  1.00   4.00  31.83) =   0.861%  kept
        T QD1   ILE  119 - HA    VAL   75  14.37 +/- 2.46   0.895% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU   67 - HA    VAL   75   8.66 +/- 2.21   6.483% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HA    VAL   75  11.84 +/- 1.44   1.357% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    VAL   75  13.34 +/- 1.49   0.870% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  16.84 +/- 2.05   0.482% *  0.0164% (0.18   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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T QG1   VAL   75 - HA    VAL   75   2.75 +/- 0.28  97.958% * 99.9055% (1.00  10.0 10.00   4.00  83.00) =  99.998%  kept
          QD1   LEU  115 - HA    VAL   75  12.12 +/- 2.63   2.042% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T QG2   VAL   75 - HA    VAL   75   2.24 +/- 0.33  97.566% * 99.9036% (1.00  10.0 10.00   4.00  83.00) =  99.998%  kept
          QG2   VAL   42 - HA    VAL   75   8.98 +/- 1.26   2.434% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.0:
    * O T HA    VAL   75 - HB    VAL   75   2.84 +/- 0.21  92.283% * 99.7003% (1.00  10.0 10.00   3.44  83.00) =  99.997%  kept
          HA    ALA   61 - HB    VAL   75   9.88 +/- 2.19   5.740% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  119 - HB    VAL   75  16.17 +/- 2.32   0.669% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - HB    VAL   75  15.44 +/- 2.26   0.684% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  16.59 +/- 2.25   0.624% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.0:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  98.334% * 99.9055% (1.00  10.0 10.00   3.44  83.00) =  99.998%  kept
          QD1   LEU  115 - HB    VAL   75  10.56 +/- 2.32   1.666% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 83.0:
    * O T QG2   VAL   75 - HB    VAL   75   2.11 +/- 0.02  96.767% * 99.0442% (1.00  10.0 10.00   3.31  83.00) =  99.968%  kept
        T QG2   VAL   42 - HB    VAL   75   7.36 +/- 1.16   3.233% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.032%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T HA    VAL   75 - QG1   VAL   75   2.75 +/- 0.28  93.297% * 99.6578% (1.00  10.0 10.00   4.00  83.00) =  99.990%  kept
        T HA    ALA   61 - QG1   VAL   75   9.61 +/- 1.93   3.479% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.008%
          HD3   PRO   58 - QG1   VAL   75  13.55 +/- 2.20   1.275% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG1   VAL   75  14.27 +/- 1.95   0.993% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  13.22 +/- 1.75   0.956% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 82.9:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  90.294% * 94.0162% (1.00  10.0 10.00   3.44  83.00) =  99.778%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.66 +/- 0.55   3.216% *  5.7874% (0.31   1.0  1.00   3.99  31.83) =   0.219%  kept
          QD1   LEU   67 - QG1   VAL   75   7.71 +/- 1.29   2.650% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QG1   VAL   75   9.45 +/- 1.27   1.259% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG1   VAL   75   9.68 +/- 1.41   1.138% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL   75  11.26 +/- 1.99   0.909% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  12.80 +/- 1.88   0.535% *  0.0165% (0.18   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 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T QG2   VAL   75 - QG1   VAL   75   2.03 +/- 0.07  97.156% * 99.9036% (1.00  10.0 10.00   4.00  83.00) =  99.997%  kept
          QG2   VAL   42 - QG1   VAL   75   6.96 +/- 0.96   2.844% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T HA    VAL   75 - QG2   VAL   75   2.24 +/- 0.33  95.577% * 99.8572% (1.00  10.0 10.00   4.00  83.00) =  99.999%  kept
          HA    ALA   61 - QG2   VAL   75   9.47 +/- 1.72   2.705% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   VAL   75  14.35 +/- 1.80   0.617% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG2   VAL   75  14.74 +/- 2.07   0.533% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.75 +/- 1.82   0.569% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 82.8:
    * O T HB    VAL   75 - QG2   VAL   75   2.11 +/- 0.02  86.634% * 94.0023% (1.00  10.0 10.00   3.31  83.00) =  99.672%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.41 +/- 0.93   4.545% *  5.8013% (0.31   1.0  1.00   4.00  31.83) =   0.323%  kept
          QD1   LEU   67 - QG2   VAL   75   6.93 +/- 1.46   4.962% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - QG2   VAL   75   8.73 +/- 1.00   1.399% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG2   VAL   75   9.89 +/- 1.54   1.033% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  11.72 +/- 2.02   0.832% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.64 +/- 2.20   0.596% *  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 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T QG1   VAL   75 - QG2   VAL   75   2.03 +/- 0.07  98.673% * 99.9055% (1.00  10.0 10.00   4.00  83.00) =  99.999%  kept
          QD1   LEU  115 - QG2   VAL   75  10.03 +/- 2.01   1.327% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.988, support = 2.83, residual support = 35.2:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.87 +/- 0.18  62.917% * 91.1380% (1.00  10.0 10.00   2.84  35.63) =  98.169%  kept
        T QE    LYS+  66 - HA    LEU   67   6.47 +/- 1.48  16.522% *  3.3289% (0.04   1.0 10.00   3.52  15.23) =   0.942%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.37 +/- 0.58  10.699% *  4.8132% (0.73   1.0  1.00   1.45   3.93) =   0.882%  kept
        T QE    LYS+  66 - HA    ASP-  76  15.05 +/- 3.35   0.872% *  0.2029% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - HA    LEU   67  16.03 +/- 3.42   0.634% *  0.1495% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - HA    LEU   67   6.95 +/- 0.88   5.452% *  0.0147% (0.16   1.0  1.00   0.02   3.20) =   0.001%
        T QE    LYS+  33 - HA    ASP-  76  19.06 +/- 3.20   0.265% *  0.2029% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  14.04 +/- 2.97   1.129% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    ASP-  76  18.66 +/- 3.00   0.333% *  0.0893% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    ASP-  76  17.94 +/- 4.38   0.358% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.60 +/- 3.88   0.351% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  18.51 +/- 3.56   0.467% *  0.0023% (0.03   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 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.97, residual support = 35.6:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.73 +/- 0.26  85.795% * 99.2676% (0.87  10.0 10.00   2.97  35.63) =  99.994%  kept
        T HB3   ASP-  76 - HA    LEU   67  16.04 +/- 3.33   0.735% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  76  12.78 +/- 1.93   1.083% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  11.50 +/- 1.47   1.363% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ASP-  76  10.70 +/- 1.67   3.129% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ASP-  76  19.23 +/- 4.82   0.462% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  18.38 +/- 1.70   0.324% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  14.85 +/- 3.69   1.749% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  22.35 +/- 2.43   0.267% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  17.61 +/- 2.45   0.430% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  13.47 +/- 3.61   1.844% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  15.92 +/- 2.88   0.796% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  18.20 +/- 3.12   0.471% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  13.44 +/- 2.20   1.005% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  21.09 +/- 3.43   0.288% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  21.48 +/- 2.89   0.258% *  0.0025% (0.02   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 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.987, support = 2.85, residual support = 35.4:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.87 +/- 0.18  76.561% * 94.4931% (1.00  10.0 10.00   2.84  35.63) =  98.663%  kept
        T HA    LEU   67 - QE    LYS+  66   6.47 +/- 1.48  19.915% *  4.8987% (0.05   1.0 10.00   3.52  15.23) =   1.330%  kept
        T HA    ASP-  76 - QE    LYS+  66  15.05 +/- 3.35   1.063% *  0.1965% (0.21   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU   67 - HB2   ASP-  76  16.03 +/- 3.42   0.772% *  0.2356% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU   67 - QE    LYS+  33  14.04 +/- 2.97   1.367% *  0.0351% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  76 - QE    LYS+  33  19.06 +/- 3.20   0.322% *  0.1409% (0.15   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.57 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 = 2.81, residual support = 35.6:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  84.522% * 98.9845% (0.87  10.0 10.00   2.81  35.63) =  99.996%  kept
          HB2   ASP- 105 - QE    LYS+  66  15.23 +/- 5.29   4.365% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QE    LYS+  66  11.49 +/- 3.78   4.915% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - QE    LYS+  66  16.20 +/- 3.47   0.191% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  33   7.21 +/- 1.34   1.913% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  11.48 +/- 3.99   1.589% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  14.75 +/- 1.82   0.163% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  19.08 +/- 3.77   0.090% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  18.70 +/- 6.02   0.140% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  12.96 +/- 1.64   0.253% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  20.21 +/- 1.94   0.063% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  22.89 +/- 3.21   0.075% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  11.35 +/- 1.48   0.397% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  19.27 +/- 4.81   0.170% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  15.05 +/- 3.93   0.422% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  19.73 +/- 2.68   0.073% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  18.50 +/- 4.06   0.123% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  18.42 +/- 2.43   0.093% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  19.98 +/- 3.32   0.080% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  16.20 +/- 2.10   0.129% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.30 +/- 3.18   0.040% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  20.62 +/- 3.97   0.081% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  20.50 +/- 3.49   0.071% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  23.15 +/- 2.85   0.042% *  0.0023% (0.02   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 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.97, residual support = 35.6:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.73 +/- 0.26  99.150% * 99.7513% (0.87  10.0 10.00   2.97  35.63) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  16.04 +/- 3.33   0.850% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.40 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 = 2.81, residual support = 35.6:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  91.299% * 97.5754% (0.87  10.0 10.00   2.81  35.63) =  99.829%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.87 +/- 1.18   8.066% *  1.8794% (0.63   1.0  1.00   0.53   3.93) =   0.170%  kept
        T QE    LYS+  66 - HB3   ASP-  76  16.20 +/- 3.47   0.206% *  0.2172% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  19.08 +/- 3.77   0.097% *  0.2172% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  19.56 +/- 3.26   0.094% *  0.0956% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  17.47 +/- 5.62   0.237% *  0.0151% (0.13   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 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 2.99, residual support = 37.3:
    * O T HB    THR   77 - HA    THR   77   2.61 +/- 0.16  85.507% * 93.4096% (1.00  10.0 10.00   3.00  37.48) =  99.502%  kept
          HA    GLU-  79 - HA    THR   77   6.41 +/- 0.54   6.577% *  5.9961% (0.69   1.0  1.00   1.87   0.02) =   0.491%  kept
          HA    ASP-  44 - HA    THR   77   8.88 +/- 0.83   2.478% *  0.0926% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77   9.61 +/- 1.33   2.062% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HA    THR   77  10.87 +/- 0.97   1.290% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HA    THR   77  16.90 +/- 2.27   0.444% *  0.0916% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    THR   77  17.17 +/- 3.30   0.480% *  0.0455% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  29.16 +/- 5.99   0.169% *  0.0916% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  20.79 +/- 2.19   0.198% *  0.0567% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  16.88 +/- 3.44   0.448% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.47 +/- 5.36   0.206% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  26.96 +/- 5.34   0.141% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.52 +/- 0.38  95.618% * 99.7982% (1.00  10.0 10.00   3.00  37.48) =  99.997%  kept
          QB    ALA   88 - HA    THR   77   9.74 +/- 1.08   2.267% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   23 - HA    THR   77  14.50 +/- 4.74   1.335% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  21.29 +/- 2.63   0.238% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  24.19 +/- 2.26   0.170% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  19.05 +/- 3.92   0.373% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - HB    THR   77   2.61 +/- 0.16  92.086% * 99.9104% (1.00  10.0 10.00   3.00  37.48) =  99.996%  kept
          HD2   PRO   93 - HB    THR   77   9.33 +/- 2.72   6.893% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   27 - HB    THR   77  15.64 +/- 4.53   1.021% *  0.0448% (0.45   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 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.72, residual support = 37.5:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.02  97.506% * 99.5496% (1.00  10.0 10.00   2.72  37.48) =  99.997%  kept
          QB    ALA   88 - HB    THR   77   9.45 +/- 1.58   1.544% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HB    THR   77  15.64 +/- 3.89   0.396% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB    THR   77  17.65 +/- 4.13   0.385% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  22.25 +/- 2.40   0.103% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  25.66 +/- 2.35   0.065% *  0.0446% (0.45   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 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   2.52 +/- 0.38  90.062% * 99.9104% (1.00  10.0 10.00   3.00  37.48) =  99.995%  kept
          HD2   PRO   93 - QG2   THR   77   7.21 +/- 2.09   8.286% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HB2   TRP   27 - QG2   THR   77  12.71 +/- 3.41   1.652% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.3:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.02  87.209% * 92.3534% (1.00  10.0 10.00   2.72  37.48) =  99.622%  kept
          HA    ASP-  44 - QG2   THR   77   6.37 +/- 1.15   4.245% *  7.0871% (0.99   1.0  1.00   1.55   0.02) =   0.372%  kept
          HA    SER   85 - QG2   THR   77   8.38 +/- 1.32   1.842% *  0.0924% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QG2   THR   77   7.23 +/- 0.56   2.514% *  0.0634% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - QG2   THR   77   9.69 +/- 1.70   1.932% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QG2   THR   77  13.78 +/- 1.68   0.417% *  0.0905% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  12.89 +/- 2.25   0.531% *  0.0450% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  24.74 +/- 4.96   0.193% *  0.0905% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  12.81 +/- 3.07   0.656% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  17.64 +/- 1.71   0.182% *  0.0560% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  22.88 +/- 4.26   0.126% *  0.0380% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.69 +/- 4.00   0.153% *  0.0285% (0.31   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 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 = 3.45, residual support = 39.8:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.88 +/- 0.21  85.545% * 96.5939% (1.00  10.0 10.00   3.46  39.98) =  99.621%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.25 +/- 0.72   9.843% *  3.1788% (0.73   1.0  1.00   0.91   3.93) =   0.377%  kept
          HB2   ASP-  86 - HA    ASP-  78  10.99 +/- 1.51   2.604% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASP-  78  18.21 +/- 5.49   1.180% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    ASP-  78  20.51 +/- 5.26   0.410% *  0.0508% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.87 +/- 3.24   0.204% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  23.92 +/- 3.53   0.212% *  0.0586% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 40.0:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.71 +/- 0.21  94.261% * 99.8720% (1.00  10.0 10.00   2.31  39.98) =  99.998%  kept
          QB    CYS   50 - HA    ASP-  78  12.32 +/- 3.81   2.948% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    ASP-  78  10.01 +/- 1.71   2.477% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  25.21 +/- 3.10   0.139% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  23.39 +/- 2.73   0.175% *  0.0154% (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 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.46, residual support = 39.9:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.88 +/- 0.21  90.328% * 97.2204% (1.00  10.0 10.00   3.46  39.98) =  99.798%  kept
          HA    LEU   80 - HB2   ASP-  78   7.48 +/- 0.92   6.660% *  2.6471% (0.49   1.0  1.00   1.12   6.13) =   0.200%  kept
          HA    THR   23 - HB2   ASP-  78  15.84 +/- 6.77   1.777% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB2   ASP-  78  17.28 +/- 6.15   1.036% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  23.01 +/- 1.63   0.198% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.84, residual support = 40.0:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  97.604% * 99.8720% (1.00  10.0 10.00   2.84  39.98) =  99.999%  kept
          QB    CYS   50 - HB2   ASP-  78  11.74 +/- 4.11   1.236% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78   8.86 +/- 1.70   1.069% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  24.65 +/- 3.25   0.045% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  23.34 +/- 2.50   0.047% *  0.0154% (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 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 40.0:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.71 +/- 0.21  91.616% * 99.8154% (1.00  10.0 10.00   2.31  39.98) =  99.995%  kept
          HA    LEU   80 - HB3   ASP-  78   7.58 +/- 0.89   5.933% *  0.0486% (0.49   1.0  1.00   0.02   6.13) =   0.003%
          HA    THR   23 - HB3   ASP-  78  15.75 +/- 6.61   1.400% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - HB3   ASP-  78  17.17 +/- 6.00   0.885% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  23.11 +/- 2.05   0.167% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.84, residual support = 39.9:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  91.719% * 97.4242% (1.00  10.0 10.00   2.84  39.98) =  99.879%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.52 +/- 1.05   4.595% *  2.3466% (0.73   1.0  1.00   0.66   3.93) =   0.121%  kept
          HB2   ASP-  86 - HB3   ASP-  78  12.63 +/- 2.31   3.030% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HB3   ASP-  78  17.24 +/- 5.72   0.453% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  20.54 +/- 4.80   0.091% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  23.31 +/- 3.93   0.061% *  0.0591% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  22.61 +/- 2.98   0.050% *  0.0630% (0.65   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 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 = 4.39, residual support = 56.7:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.89 +/- 0.18  94.730% * 98.4729% (1.00  10.0 10.00   4.39  56.73) =  99.993%  kept
          HG2   PRO   52 - HA    GLU-  79  18.98 +/- 5.30   1.981% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HA    GLU-  79  26.52 +/- 3.87   0.149% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    GLU-  79  25.88 +/- 6.19   0.559% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  20.88 +/- 3.68   0.950% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  19.11 +/- 8.45   1.006% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU-  79  16.14 +/- 1.82   0.626% *  0.0950% (0.97   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 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T QG    GLU-  79 - HA    GLU-  79   2.36 +/- 0.25  99.054% * 99.7507% (1.00  10.0 10.00   3.52  56.73) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  21.44 +/- 5.13   0.247% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  25.10 +/- 4.19   0.163% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  24.99 +/- 3.76   0.148% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  19.94 +/- 1.82   0.213% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  21.41 +/- 1.93   0.175% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.39, residual support = 56.6:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.89 +/- 0.18  87.367% * 97.2351% (1.00  10.0 10.00   4.39  56.73) =  99.846%  kept
          HB    THR   77 - HB2   GLU-  79   7.54 +/- 0.59   5.603% *  2.2511% (0.69   1.0  1.00   0.67   0.02) =   0.148%  kept
          HA1   GLY   51 - HB2   GLU-  79  19.20 +/- 5.39   2.666% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HB2   GLU-  79  12.73 +/- 1.06   1.175% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLU-  79  12.22 +/- 1.04   1.315% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HB2   GLU-  79  27.44 +/- 7.04   0.753% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  18.91 +/- 3.91   0.498% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  21.17 +/- 2.57   0.284% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  19.73 +/- 2.88   0.338% *  0.0779% (0.80   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 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 = 3.52, residual support = 56.7:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.31 +/- 0.15  98.860% * 99.7507% (1.00  10.0 10.00   3.52  56.73) =  99.999%  kept
          QG    GLN   32 - HB2   GLU-  79  20.17 +/- 4.81   0.249% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  23.39 +/- 4.37   0.342% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.47 +/- 1.71   0.223% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  19.67 +/- 2.20   0.200% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  23.66 +/- 3.44   0.126% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T HA    GLU-  79 - QG    GLU-  79   2.36 +/- 0.25  91.888% * 99.4064% (1.00  10.0 10.00   3.52  56.73) =  99.993%  kept
          HA1   GLY   51 - QG    GLU-  79  18.06 +/- 5.14   2.370% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QG    GLU-  79   8.38 +/- 0.62   2.540% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG    GLU-  79  12.23 +/- 1.25   0.800% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG    GLU-  79  12.52 +/- 0.99   0.804% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG    GLU-  79  24.58 +/- 6.71   0.577% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  18.89 +/- 3.09   0.404% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  18.13 +/- 3.93   0.408% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  19.73 +/- 2.47   0.209% *  0.0985% (0.99   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 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.7:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.31 +/- 0.15  96.150% * 99.5443% (1.00  10.0 10.00   3.52  56.73) =  99.997%  kept
          HG2   PRO   52 - QG    GLU-  79  17.50 +/- 5.00   1.205% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - QG    GLU-  79  16.35 +/- 8.12   1.175% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QG    GLU-  79  15.49 +/- 1.56   0.366% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  19.12 +/- 3.04   0.291% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  21.86 +/- 6.07   0.678% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.60 +/- 3.69   0.135% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.65, residual support = 85.5:
    *   T QD1   LEU   80 - HA    LEU   80   2.94 +/- 0.81  86.715% * 98.6414% (0.65 10.00   5.65  85.52) =  99.962%  kept
        T QD2   LEU   98 - HA    LEU   80  13.25 +/- 3.73   2.476% *  0.9864% (0.65 10.00   0.02   0.02) =   0.029%
          QD1   LEU   73 - HA    LEU   80  11.12 +/- 3.34   6.260% *  0.0520% (0.34  1.00   0.02   0.02) =   0.004%
          QG2   VAL   41 - HA    LEU   80  13.50 +/- 3.00   1.995% *  0.1274% (0.84  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HA    LEU   80  16.53 +/- 2.35   1.109% *  0.1408% (0.92  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    LEU   80  16.34 +/- 2.98   1.445% *  0.0520% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.12 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 85.3:
    * O   HA    LEU   80 - HB2   LEU   80   2.71 +/- 0.22  85.627% * 96.1787% (1.00  10.0   5.33  85.52) =  99.737%  kept
          HA    ASP-  78 - HB2   LEU   80   7.09 +/- 0.71   5.743% *  2.6531% (0.49   1.0   1.13   6.13) =   0.185%  kept
          HA    THR   23 - HB2   LEU   80  13.89 +/- 9.23   6.260% *  1.0019% (0.80   1.0   0.26   0.77) =   0.076%
          HB    THR   23 - HB2   LEU   80  15.32 +/- 8.64   2.119% *  0.0928% (0.97   1.0   0.02   0.77) =   0.002%
          HA    ASP- 105 - HB2   LEU   80  20.51 +/- 3.22   0.251% *  0.0735% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 4.91, residual support = 85.5:
    * O T QD1   LEU   80 - HB2   LEU   80   2.78 +/- 0.37  88.390% * 97.5236% (0.65  10.0 10.00   4.92  85.52) =  99.933%  kept
        T QD2   LEU   98 - HB2   LEU   80  11.85 +/- 4.19   3.336% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.038%
        T QG2   VAL   41 - HB2   LEU   80  12.15 +/- 3.52   1.720% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.025%
          QD1   LEU   73 - HB2   LEU   80  10.02 +/- 3.45   4.931% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   LEU   80  15.20 +/- 2.43   0.729% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   LEU   80  15.02 +/- 3.05   0.894% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 5.59, residual support = 84.5:
    *   T HA    LEU   80 - QD1   LEU   80   2.94 +/- 0.81  62.434% * 92.7780% (0.65 10.00   5.65  85.52) =  98.787%  kept
          HA    THR   23 - QD1   LEU   80  11.51 +/- 8.90  14.543% *  3.0818% (0.52  1.00   0.83   0.77) =   0.764%  kept
          HA    ASP-  78 - QD1   LEU   80   7.03 +/- 0.81   8.711% *  1.7464% (0.31  1.00   0.77   6.13) =   0.259%  kept
          HB    THR   23 - QD1   LEU   80  12.69 +/- 8.49   6.067% *  1.6307% (0.62  1.00   0.36   0.77) =   0.169%  kept
        T HA    LEU   80 - QD2   LEU   98  13.25 +/- 3.73   1.775% *  0.5318% (0.37 10.00   0.02   0.02) =   0.016%
          HA    ASP- 105 - QD2   LEU   98   8.68 +/- 0.65   3.528% *  0.0406% (0.28  1.00   0.02   5.97) =   0.002%
          HA    ASP- 105 - QD1   LEU   80  17.51 +/- 3.15   0.596% *  0.0709% (0.49  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - QD2   LEU   98  15.26 +/- 2.95   0.702% *  0.0513% (0.36  1.00   0.02   0.02) =   0.001%
          HA    THR   23 - QD2   LEU   98  14.60 +/- 2.78   0.831% *  0.0426% (0.30  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QD2   LEU   98  14.95 +/- 2.55   0.813% *  0.0259% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.08 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   2.39 +/- 0.15  94.445% * 97.5498% (1.00  10.0 10.00   5.16 110.64) =  99.993%  kept
          HB3   GLN   90 - HA    LYS+  81   9.00 +/- 1.98   2.708% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   ARG+  54 - HA    LYS+  81  21.82 +/- 3.87   0.172% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LYS+  81  24.59 +/- 2.77   0.106% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  20.52 +/- 4.32   0.279% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  16.57 +/- 2.16   0.366% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.80 +/- 2.26   0.685% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  21.88 +/- 4.68   0.176% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  19.95 +/- 3.03   0.191% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  22.20 +/- 3.59   0.184% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  19.68 +/- 6.24   0.324% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  22.24 +/- 2.17   0.130% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  27.33 +/- 2.20   0.070% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  25.11 +/- 3.68   0.098% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  29.30 +/- 3.57   0.066% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 110.6:
    * O T QG    LYS+  81 - HA    LYS+  81   2.51 +/- 0.54  97.611% * 98.1658% (1.00  10.0 10.00   5.21 110.64) =  99.991%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  18.63 +/- 2.98   0.628% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  33 - HA    LYS+  81  23.70 +/- 5.25   0.213% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HA    LYS+  81  14.25 +/- 2.24   0.993% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  21.99 +/- 3.29   0.556% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.08 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 110.6:
    *   T QD    LYS+  81 - HA    LYS+  81   3.75 +/- 0.62  94.460% * 99.7569% (1.00 10.00   3.44 110.64) =  99.995%  kept
          HB    VAL   43 - HA    LYS+  81  12.91 +/- 2.21   3.826% *  0.0989% (0.99  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HA    LYS+  81  23.54 +/- 2.54   0.548% *  0.0995% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    LYS+  81  25.50 +/- 7.50   1.167% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.04 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   3.86 +/- 0.62  96.686% * 99.9825% (1.00 10.00   3.44 110.64) =  99.999%  kept
          HB3   TRP   49 - HA    LYS+  81  16.43 +/- 3.47   3.314% *  0.0175% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 5.15 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   2.39 +/- 0.15  91.913% * 98.7606% (1.00  10.0 10.00   5.16 110.64) =  99.993%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.59 +/- 0.33   2.996% *  0.0733% (0.07   1.0 10.00   0.02   1.97) =   0.002%
        T HA    ARG+  54 - QB    LYS+  81  20.66 +/- 3.89   0.228% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU  115 - QB    LYS+  81  20.91 +/- 3.64   0.843% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HB3   PRO   52  20.52 +/- 4.32   0.271% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.47 +/- 2.05   1.624% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  17.31 +/- 6.79   0.636% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  26.34 +/- 3.65   0.085% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  23.54 +/- 5.08   0.796% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  20.06 +/- 3.45   0.257% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  31.37 +/- 3.82   0.053% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  21.92 +/- 3.78   0.176% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.13 +/- 3.33   0.037% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  26.51 +/- 3.49   0.086% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.44, residual support = 110.6:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.03  96.294% * 97.8497% (1.00  10.0 10.00   5.45 110.64) =  99.996%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  18.41 +/- 2.73   0.220% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QB    LYS+  81  22.13 +/- 5.09   0.120% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - HB3   PRO   52  19.26 +/- 4.26   0.259% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  19.53 +/- 3.73   0.259% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.16 +/- 2.24   0.400% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  21.37 +/- 3.69   0.312% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.95 +/- 2.96   0.041% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  11.49 +/- 4.12   1.376% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  16.31 +/- 4.68   0.720% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.18 +/- 0.10  98.412% * 99.6151% (1.00  10.0 10.00   3.93 110.64) =  99.999%  kept
          HB    VAL   43 - QB    LYS+  81  13.37 +/- 1.87   0.525% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HB3   PRO   52  20.32 +/- 4.51   0.252% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  22.51 +/- 2.48   0.109% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.93 +/- 6.94   0.200% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  18.14 +/- 2.83   0.222% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.21 +/- 4.54   0.194% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  24.86 +/- 4.01   0.086% *  0.0051% (0.05   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 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   2.95 +/- 0.65  92.980% * 99.8426% (1.00   3.93 110.64) =  99.997%  kept
          HB3   TRP   49 - QB    LYS+  81  15.90 +/- 3.84   1.739% *  0.0889% (0.18   0.02   0.02) =   0.002%
          QE    LYS+  81 - HB3   PRO   52  19.30 +/- 4.58   1.042% *  0.0582% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52   9.40 +/- 1.33   4.239% *  0.0102% (0.02   0.02   3.04) =   0.000%
    Distance limit 4.97 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 = 5.21, residual support = 110.6:
    * O T HA    LYS+  81 - QG    LYS+  81   2.51 +/- 0.54  84.089% * 98.8267% (1.00  10.0 10.00   5.21 110.64) =  99.993%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.51 +/- 0.88   3.963% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+ 106  18.63 +/- 2.98   0.539% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG2   LYS+  33  23.70 +/- 5.25   0.183% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG2   LYS+  33  26.43 +/- 9.16   0.774% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  19.97 +/- 3.51   0.410% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.70 +/- 0.74   3.150% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  17.62 +/- 6.67   1.169% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  20.50 +/- 3.31   1.211% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  26.63 +/- 3.67   0.116% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  31.09 +/- 3.70   0.089% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.18 +/- 2.25   1.974% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.78 +/- 3.33   0.129% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.16 +/- 2.60   0.259% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  21.12 +/- 4.17   0.213% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.15 +/- 1.89   0.161% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  21.52 +/- 3.87   0.207% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.49 +/- 3.28   0.427% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.78 +/- 3.15   0.422% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  18.26 +/- 3.37   0.366% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.59 +/- 3.09   0.148% *  0.0073% (0.07   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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.783, support = 5.48, residual support = 124.5:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.03  33.775% * 56.4033% (1.00  10.0 10.00   5.45 110.64) =  64.476%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.24 +/- 0.09  28.012% * 26.0615% (0.46  10.0 10.00   5.64 156.43) =  24.709%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.32 +/- 0.12  25.475% * 12.3827% (0.22  10.0 10.00   5.37 135.46) =  10.677%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.36 +/- 0.85   1.515% *  2.4930% (0.20   1.0  1.00   4.48  21.95) =   0.128%  kept
        T QB    LYS+ 106 - QG    LYS+  81  16.35 +/- 1.90   0.089% *  0.5628% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HG2   LYS+  33  16.10 +/- 3.94   1.997% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG    LYS+  81   9.21 +/- 2.49   0.659% *  0.0559% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.10 +/- 0.90   3.124% *  0.0101% (0.18   1.0  1.00   0.02   0.30) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  20.52 +/- 4.63   0.052% *  0.5443% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   LYS+ 106   5.73 +/- 1.42   2.694% *  0.0104% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  18.84 +/- 2.03   0.055% *  0.2694% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  22.13 +/- 5.09   0.041% *  0.2700% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.41 +/- 2.73   0.073% *  0.1241% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  19.26 +/- 4.26   0.087% *  0.0870% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.77 +/- 1.95   0.053% *  0.1198% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.19 +/- 1.80   0.392% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  20.30 +/- 3.73   0.055% *  0.0489% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.63 +/- 2.63   0.185% *  0.0141% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.58 +/- 2.86   0.051% *  0.0471% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  21.05 +/- 3.42   0.058% *  0.0410% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  18.60 +/- 3.05   0.084% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.80 +/- 5.91   0.088% *  0.0212% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.54 +/- 1.92   0.034% *  0.0506% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.17 +/- 3.39   0.075% *  0.0226% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  19.53 +/- 3.73   0.086% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.07 +/- 2.72   0.029% *  0.0452% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  24.71 +/- 6.99   0.240% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  17.54 +/- 2.41   0.068% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  16.39 +/- 2.02   0.084% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.68 +/- 2.33   0.020% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.25 +/- 3.71   0.063% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.95 +/- 2.96   0.014% *  0.0417% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.80 +/- 3.07   0.048% *  0.0108% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.60 +/- 2.50   0.024% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.50 +/- 3.56   0.017% *  0.0268% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.75 +/- 3.88   0.019% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.35 +/- 1.90   0.133% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.17 +/- 2.77   0.077% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.18 +/- 2.31   0.044% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  18.70 +/- 3.78   0.132% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.68 +/- 3.17   0.029% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  27.49 +/- 3.42   0.020% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.56 +/- 3.45   0.026% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.69 +/- 3.42   0.036% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  18.47 +/- 3.03   0.066% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.07, residual support = 110.6:
    * O T QD    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  93.832% * 98.8994% (1.00  10.0 10.00   4.07 110.64) =  99.997%  kept
          HB2   LYS+  99 - HG2   LYS+  33  13.55 +/- 4.16   2.047% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   43 - QG    LYS+  81  13.26 +/- 2.07   0.451% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  23.73 +/- 5.12   0.091% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+ 106   9.50 +/- 2.22   1.554% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  19.53 +/- 2.63   0.151% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.37 +/- 0.99   0.619% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  13.88 +/- 3.71   0.624% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.59 +/- 2.48   0.281% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  22.60 +/- 2.69   0.087% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  23.86 +/- 6.58   0.149% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.03 +/- 4.48   0.114% *  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 = 4.07, residual support = 110.6:
    * O   QE    LYS+  81 - QG    LYS+  81   2.19 +/- 0.14  98.524% * 99.9005% (1.00  10.0   4.07 110.64) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  15.24 +/- 3.83   0.875% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  23.99 +/- 4.86   0.113% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  19.09 +/- 2.23   0.167% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  21.40 +/- 4.17   0.275% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.57 +/- 4.06   0.046% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.75 +/- 0.62  90.373% * 99.7133% (1.00 10.00   3.44 110.64) =  99.997%  kept
          HA    LEU  115 - QD    LYS+  81  21.72 +/- 3.82   5.109% *  0.0154% (0.15  1.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QD    LYS+  81  21.19 +/- 3.82   1.143% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD    LYS+  81  18.90 +/- 6.77   2.253% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  27.98 +/- 3.71   0.298% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  32.32 +/- 4.13   0.276% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  23.07 +/- 4.01   0.548% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 110.6:
    * O T QB    LYS+  81 - QD    LYS+  81   2.18 +/- 0.10  95.901% * 98.9997% (1.00  10.0 10.00   3.93 110.64) =  99.996%  kept
          HB3   GLN   90 - QD    LYS+  81   9.52 +/- 2.77   1.799% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   52 - QD    LYS+  81  20.32 +/- 4.51   0.246% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  17.33 +/- 1.98   0.265% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  22.32 +/- 3.92   0.257% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  21.46 +/- 4.01   0.174% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  21.78 +/- 4.62   0.141% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  14.43 +/- 2.86   0.493% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  20.68 +/- 2.65   0.135% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  22.86 +/- 1.99   0.099% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  20.28 +/- 5.88   0.215% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  24.66 +/- 2.73   0.075% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  27.12 +/- 2.24   0.054% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  25.03 +/- 3.45   0.086% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  28.76 +/- 3.76   0.059% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.07, residual support = 110.6:
    * O T QG    LYS+  81 - QD    LYS+  81   2.08 +/- 0.03  99.081% * 98.1658% (1.00  10.0 10.00   4.07 110.64) =  99.997%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  19.53 +/- 2.63   0.160% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QD    LYS+  81  23.73 +/- 5.12   0.096% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD    LYS+  81  21.82 +/- 3.83   0.364% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  15.29 +/- 2.09   0.300% *  0.0219% (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 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  99.313% * 99.9825% (1.00  10.0   3.00 110.64) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  15.99 +/- 4.06   0.687% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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   3.86 +/- 0.62  91.108% * 99.7133% (1.00 10.00   3.44 110.64) =  99.997%  kept
          HA    ARG+  54 - QE    LYS+  81  20.22 +/- 4.07   1.567% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - QE    LYS+  81  20.91 +/- 3.60   4.201% *  0.0154% (0.15  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QE    LYS+  81  19.24 +/- 6.33   1.821% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  28.38 +/- 3.42   0.280% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  31.72 +/- 3.98   0.297% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  22.69 +/- 4.18   0.726% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.16 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   2.72 +/- 0.27  81.304% * 97.1708% (0.95  10.0 10.00   2.96  34.68) =  99.968%  kept
        T HB2   SER   82 - HA    GLU-  25  17.57 +/-10.83   2.819% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.011%
        T HA    SER   48 - HA    SER   82  17.58 +/- 3.30   0.840% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.010%
          HA    ALA   88 - HA    SER   82   8.26 +/- 0.82   3.220% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - HA    GLU-  25   7.03 +/- 0.42   5.383% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HA    GLU-  25  23.74 +/- 5.63   0.228% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    SER   82  23.12 +/- 2.22   0.161% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  18.05 +/- 3.11   0.403% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HA    GLU-  25  14.07 +/- 3.04   1.606% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HA    SER   82  22.29 +/- 8.62   0.395% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.53 +/- 0.79   1.219% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  25.12 +/- 8.90   0.272% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  23.01 +/- 7.62   0.300% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.43 +/- 1.13   0.788% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  25.10 +/- 6.51   0.176% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  21.91 +/- 3.57   0.198% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  22.57 +/- 6.34   0.254% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  26.56 +/- 3.14   0.105% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  26.21 +/- 6.19   0.231% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  26.81 +/- 4.33   0.099% *  0.0175% (0.17   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 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   2.79 +/- 0.23  86.241% * 98.8194% (1.00  10.0 10.00   2.00  34.68) =  99.985%  kept
        T HB3   SER   82 - HA    GLU-  25  17.39 +/-10.76   2.688% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.010%
          QB    SER   13 - HA    GLU-  25  16.20 +/- 5.66   3.981% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    SER   82  10.93 +/- 0.40   1.512% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    SER   82  21.39 +/- 3.55   0.271% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.55 +/- 0.41   2.218% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  22.29 +/- 7.39   0.337% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  27.67 +/- 5.31   0.183% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  24.01 +/- 3.42   0.178% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  22.72 +/- 3.62   0.229% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.49 +/- 2.05   0.434% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  24.98 +/- 3.81   0.179% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  25.54 +/- 4.50   0.150% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  16.94 +/- 1.45   0.423% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.44 +/- 2.85   0.182% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  22.19 +/- 4.65   0.245% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  24.52 +/- 5.64   0.396% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  27.84 +/- 4.69   0.153% *  0.0207% (0.21   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 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   2.72 +/- 0.27  82.245% * 97.8439% (0.95  10.0 10.00   2.96  34.68) =  99.969%  kept
        T HA    GLU-  25 - HB2   SER   82  17.57 +/-10.83   2.842% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.021%
        T HA    SER   82 - HA    SER   48  17.58 +/- 3.30   0.854% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLU-  25 - HA    VAL   70  18.05 +/- 3.11   0.408% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  25 - HA    SER   48  23.74 +/- 5.63   0.231% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HA    SER   48  10.07 +/- 2.54   6.714% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  23.12 +/- 2.22   0.163% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - HA    SER   48  16.50 +/- 4.19   1.455% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  22.39 +/- 8.69   0.576% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.27 +/- 1.64   1.833% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  13.05 +/- 2.79   1.232% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  20.59 +/- 6.84   0.409% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  24.48 +/- 3.42   0.179% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  18.50 +/- 3.80   0.700% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  22.96 +/- 2.90   0.158% *  0.0171% (0.17   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 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 = 0.945, support = 2.33, residual support = 34.6:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  82.810% * 93.9105% (0.95  10.0 10.00   2.33  34.68) =  99.774%  kept
        T HD3   PRO   52 - HA    SER   48   8.74 +/- 2.16   5.286% *  3.2342% (0.34   1.0 10.00   0.19   0.02) =   0.219%  kept
        T HB3   SER   37 - HA    VAL   70  10.43 +/- 1.91   0.487% *  0.2240% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    VAL   70   7.06 +/- 2.33   2.920% *  0.0272% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   SER   82 - HA    SER   48  18.22 +/- 3.07   0.116% *  0.5156% (0.52   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HA    SER   48   8.29 +/- 2.23   5.463% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    VAL   70  14.68 +/- 1.73   0.166% *  0.2829% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    SER   48  12.86 +/- 3.63   0.864% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  23.65 +/- 3.42   0.045% *  0.6075% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  22.09 +/- 2.94   0.053% *  0.3261% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.41 +/- 0.64   0.239% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  23.14 +/- 3.89   0.058% *  0.2109% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.94 +/- 2.36   0.395% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  20.73 +/- 8.42   0.131% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  22.57 +/- 4.35   0.054% *  0.0784% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  26.43 +/- 5.86   0.051% *  0.0815% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  23.94 +/- 5.64   0.048% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.11 +/- 3.49   0.305% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.17 +/- 5.11   0.057% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  18.21 +/- 2.59   0.092% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  25.40 +/- 2.97   0.032% *  0.0431% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  20.81 +/- 2.25   0.057% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  24.78 +/- 4.45   0.040% *  0.0292% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  24.44 +/- 2.61   0.038% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  21.94 +/- 3.27   0.056% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.10 +/- 3.12   0.023% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  18.64 +/- 3.44   0.112% *  0.0065% (0.07   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 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   2.79 +/- 0.23  94.974% * 99.1601% (1.00  10.0 10.00   2.00  34.68) =  99.980%  kept
        T HA    GLU-  25 - HB3   SER   82  17.39 +/-10.76   2.957% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.019%
          HA    ILE   19 - HB3   SER   82  22.24 +/- 8.73   1.642% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HB3   SER   82  22.75 +/- 3.30   0.254% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  24.34 +/- 3.13   0.173% *  0.0276% (0.28   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 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  98.591% * 97.6038% (0.95  10.0 10.00   2.33  34.68) =  99.997%  kept
        T HA    SER   48 - HB3   SER   82  18.22 +/- 3.07   0.138% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB3   SER   82  10.30 +/- 0.50   0.497% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  22.52 +/- 3.62   0.068% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  22.09 +/- 2.94   0.063% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  20.68 +/- 9.42   0.203% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  24.06 +/- 9.36   0.166% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  21.54 +/- 8.23   0.158% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  23.55 +/- 7.29   0.078% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  26.59 +/- 3.22   0.039% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 85.7:
    * O T HB    VAL   83 - HA    VAL   83   2.85 +/- 0.17  94.771% * 96.5761% (0.90  10.0 10.00   3.97  85.70) =  99.977%  kept
        T HD2   LYS+  74 - HA    VAL   83  14.32 +/- 2.65   1.166% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  65 - HA    VAL   83  19.33 +/- 4.10   0.555% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - HA    VAL   83  21.14 +/- 3.64   0.326% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   57 - HA    VAL   83  19.13 +/- 3.20   0.409% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    VAL   83  16.86 +/- 5.20   1.038% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  24.33 +/- 3.36   0.187% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  16.36 +/- 1.55   0.571% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  22.98 +/- 3.54   0.259% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  19.53 +/- 5.53   0.523% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  28.69 +/- 2.80   0.103% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  29.78 +/- 2.92   0.092% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.16, residual support = 85.6:
    * O T QG1   VAL   83 - HA    VAL   83   2.21 +/- 0.25  86.328% * 98.0013% (0.87  10.0 10.00   4.17  85.70) =  99.854%  kept
          QD2   LEU   80 - HA    VAL   83   5.72 +/- 1.15   7.208% *  1.6822% (0.80   1.0  1.00   0.37   0.20) =   0.143%  kept
          QG2   ILE   89 - HA    VAL   83   6.76 +/- 0.57   4.048% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    VAL   83  11.38 +/- 3.19   1.314% *  0.0464% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   83  16.05 +/- 3.67   0.396% *  0.1090% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HA    VAL   83  17.42 +/- 2.55   0.284% *  0.0863% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.03 +/- 3.11   0.423% *  0.0464% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.38, residual support = 85.6:
    * O T QG2   VAL   83 - HA    VAL   83   2.79 +/- 0.30  87.089% * 98.5252% (1.00  10.0 10.00   4.39  85.70) =  99.865%  kept
          QD1   ILE   89 - HA    VAL   83   6.81 +/- 1.03   8.045% *  1.4032% (0.90   1.0  1.00   0.32   0.02) =   0.131%  kept
          QD2   LEU   31 - HA    VAL   83  12.40 +/- 6.47   4.866% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.14 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 = 85.7:
    * O T HA    VAL   83 - HB    VAL   83   2.85 +/- 0.17  98.222% * 97.8171% (0.90  10.0 10.00   3.97  85.70) =  99.991%  kept
        T HA    GLU- 100 - HB    VAL   83  19.16 +/- 4.89   0.597% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.006%
        T HD2   PRO   58 - HB    VAL   83  22.45 +/- 2.89   0.238% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HB    VAL   83  21.44 +/- 3.86   0.298% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB    VAL   83  17.96 +/- 3.07   0.645% *  0.0439% (0.40   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 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 = 0.777, support = 4.23, residual support = 85.0:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.01  68.012% * 97.5584% (0.78  10.0 10.00   4.26  85.70) =  99.130%  kept
          QD2   LEU   80 - HB    VAL   83   3.95 +/- 1.15  27.302% *  2.1266% (0.72   1.0  1.00   0.47   0.20) =   0.867%  kept
          QG2   ILE   89 - HB    VAL   83   6.47 +/- 0.74   2.801% *  0.0280% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83  10.31 +/- 3.12   1.050% *  0.0462% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB    VAL   83  16.04 +/- 3.53   0.264% *  0.1085% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  16.67 +/- 2.69   0.220% *  0.0860% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  14.95 +/- 3.14   0.352% *  0.0462% (0.37   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 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 4.46, residual support = 85.6:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.01  92.981% * 98.5252% (0.90  10.0 10.00   4.46  85.70) =  99.923%  kept
          QD1   ILE   89 - HB    VAL   83   6.91 +/- 1.24   4.920% *  1.4032% (0.80   1.0  1.00   0.32   0.02) =   0.075%
          QD2   LEU   31 - HB    VAL   83  11.84 +/- 6.07   2.098% *  0.0715% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.12 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 = 85.7:
    * O T HA    VAL   83 - QG1   VAL   83   2.21 +/- 0.25  98.313% * 99.7372% (0.87  10.0 10.00   4.17  85.70) =  99.999%  kept
          HA    GLU- 100 - QG1   VAL   83  14.71 +/- 4.61   0.659% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG1   VAL   83  18.73 +/- 2.30   0.227% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  15.38 +/- 2.33   0.477% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  16.72 +/- 3.89   0.325% *  0.0197% (0.17   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 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.26, residual support = 85.7:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.01  94.937% * 99.3915% (0.78  10.0 10.00   4.26  85.70) =  99.997%  kept
          HD2   LYS+  74 - QG1   VAL   83  10.27 +/- 2.45   1.618% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QG1   VAL   83  14.72 +/- 3.36   0.503% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QG1   VAL   83  13.83 +/- 4.49   0.877% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  16.39 +/- 3.20   0.267% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  15.01 +/- 2.61   0.356% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  19.27 +/- 2.79   0.154% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  14.73 +/- 4.89   0.532% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.57 +/- 1.27   0.405% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  19.04 +/- 3.25   0.193% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  22.80 +/- 2.39   0.085% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  23.69 +/- 2.48   0.076% *  0.0219% (0.17   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 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 = 0.867, support = 4.62, residual support = 85.0:
    * O T QG2   VAL   83 - QG1   VAL   83   2.05 +/- 0.04  87.627% * 87.4776% (0.87  10.0 10.00   4.66  85.70) =  99.197%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.03 +/- 1.02   4.941% * 12.4588% (0.78   1.0 10.00   0.32   0.02) =   0.797%  kept
          QD2   LEU   31 - QG1   VAL   83   8.98 +/- 5.54   7.432% *  0.0635% (0.63   1.0  1.00   0.02   0.02) =   0.006%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 85.7:
    * O T HA    VAL   83 - QG2   VAL   83   2.79 +/- 0.30  96.946% * 99.7372% (1.00  10.0 10.00   4.39  85.70) =  99.998%  kept
          HA    GLU- 100 - QG2   VAL   83  15.48 +/- 3.66   1.012% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG2   VAL   83  17.51 +/- 2.29   0.511% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG2   VAL   83  13.86 +/- 1.99   1.022% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  17.45 +/- 3.08   0.509% *  0.0197% (0.20   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 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.46, residual support = 85.7:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.01  94.616% * 99.3915% (0.90  10.0 10.00   4.46  85.70) =  99.996%  kept
          HD2   LYS+  74 - QG2   VAL   83   9.62 +/- 2.06   1.734% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - QG2   VAL   83  14.13 +/- 3.70   0.767% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QG2   VAL   83  14.12 +/- 3.74   0.553% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  14.04 +/- 2.54   0.451% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  17.03 +/- 2.63   0.218% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  18.50 +/- 2.44   0.170% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  11.46 +/- 1.22   0.715% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  17.48 +/- 2.82   0.231% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  15.57 +/- 4.02   0.364% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  21.98 +/- 2.14   0.095% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  22.89 +/- 2.28   0.085% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.862, support = 4.6, residual support = 84.6:
    * O T QG1   VAL   83 - QG2   VAL   83   2.05 +/- 0.04  67.267% * 92.8253% (0.87  10.0 10.00   4.66  85.70) =  98.735%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.16 +/- 0.52   9.051% *  5.3312% (0.25   1.0 10.00   0.40   0.02) =   0.763%  kept
          QD2   LEU   80 - QG2   VAL   83   4.14 +/- 1.05  20.078% *  1.5705% (0.80   1.0  1.00   0.37   0.20) =   0.499%  kept
          QD1   LEU   73 - QG2   VAL   83   8.12 +/- 2.40   1.977% *  0.0440% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QG2   VAL   83  12.46 +/- 2.98   0.585% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - QG2   VAL   83  11.53 +/- 2.51   0.680% *  0.0440% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  12.76 +/- 1.85   0.363% *  0.0818% (0.76   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 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.84, residual support = 17.9:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  91.852% * 99.1332% (0.93  10.0 10.00   2.84  17.90) =  99.994%  kept
          HB3   LEU   80 - HA    ALA   84   6.32 +/- 0.91   4.439% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HA    ALA   84  11.64 +/- 1.22   0.633% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    ALA   84  12.19 +/- 1.00   0.526% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ALA   84  15.51 +/- 3.18   0.322% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  14.73 +/- 2.77   0.356% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  18.74 +/- 5.34   0.229% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  18.74 +/- 2.37   0.153% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  13.73 +/- 1.98   0.406% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  19.52 +/- 2.26   0.134% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  26.56 +/- 2.45   0.051% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  15.65 +/- 1.87   0.286% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  19.99 +/- 2.38   0.131% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  20.59 +/- 4.53   0.206% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  20.89 +/- 3.67   0.122% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  22.01 +/- 2.60   0.094% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  25.42 +/- 2.34   0.058% *  0.0180% (0.17   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 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.84, residual support = 17.9:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  98.724% * 99.6067% (0.93  10.0 10.00   2.84  17.90) =  99.999%  kept
          HB2   TRP   49 - QB    ALA   84  13.81 +/- 2.32   0.534% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QB    ALA   84  14.99 +/- 2.61   0.453% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  19.52 +/- 1.88   0.153% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  19.87 +/- 1.88   0.135% *  0.1012% (0.95   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 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.41 +/- 0.13  48.324% * 98.0072% (1.00  10.0 10.00   2.26  18.02) =  99.958%  kept
          HA    ALA   88 - HA    SER   85   2.54 +/- 0.81  49.498% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.028%
        T QB    SER   48 - HA    SER   85  14.42 +/- 4.21   0.839% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.011%
        T HD2   PRO   52 - HA    SER   85  20.15 +/- 3.74   0.111% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HA2   GLY   51 - HA    SER   85  22.18 +/- 3.00   0.076% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   85  11.73 +/- 1.15   0.447% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  22.23 +/- 2.44   0.075% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  23.49 +/- 4.27   0.085% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  31.04 +/- 7.65   0.067% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  16.27 +/- 4.00   0.347% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  29.26 +/- 2.64   0.029% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  24.53 +/- 5.97   0.072% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  28.70 +/- 3.04   0.031% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.992, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.41 +/- 0.13  65.495% * 91.4187% (1.00  10.0 10.00   2.26  18.02) =  98.710%  kept
          HA    ASP-  86 - QB    SER   85   4.00 +/- 0.24  15.445% *  4.9654% (0.38   1.0  1.00   2.89  13.44) =   1.264%  kept
        T HA1   GLY   51 - QB    SER   48   8.38 +/- 1.45   4.620% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.008%
        T HA    SER   85 - QB    SER   48  14.42 +/- 4.21   1.025% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ILE  103 - QB    SER   85  17.06 +/- 3.01   0.232% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - QB    SER   85   9.55 +/- 1.59   1.443% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   85  20.81 +/- 2.97   0.124% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.65 +/- 0.84   0.863% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    SER   48   9.98 +/- 2.33   2.362% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  22.79 +/- 2.41   0.093% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  15.11 +/- 2.68   0.341% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER   48  20.92 +/- 2.98   0.203% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  13.96 +/- 0.93   0.364% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   48  12.38 +/- 3.74   1.424% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  22.23 +/- 2.44   0.107% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  17.33 +/- 1.91   0.216% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  23.88 +/- 2.76   0.088% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  20.67 +/- 3.04   0.132% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.69 +/- 0.91   0.483% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.81 +/- 3.87   1.983% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.09 +/- 1.44   0.498% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.36 +/- 6.04   0.173% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  31.82 +/- 5.84   0.052% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.45 +/- 3.90   0.465% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  18.16 +/- 2.35   0.240% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  28.62 +/- 6.06   0.119% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  29.77 +/- 5.58   0.063% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.90 +/- 3.42   0.106% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.62 +/- 1.36   0.513% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  23.34 +/- 2.79   0.126% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  28.63 +/- 7.13   0.073% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  26.70 +/- 5.52   0.101% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  24.46 +/- 6.03   0.133% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  22.18 +/- 3.06   0.101% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  24.01 +/- 4.86   0.114% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  26.74 +/- 6.19   0.080% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.00 +/- 0.08  95.972% * 99.6568% (1.00  10.0 10.00   3.55  42.50) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  19.65 +/- 8.20   0.923% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    ASP-  86  23.19 +/- 6.21   0.563% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  14.69 +/- 1.92   1.865% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  22.99 +/- 4.34   0.321% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  22.06 +/- 4.96   0.356% *  0.0685% (0.69   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 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   2.66 +/- 0.15  94.753% * 98.9853% (1.00  10.0 10.00   2.31  42.50) =  99.996%  kept
        T HB3   ASP-  62 - HA    ASP-  86  23.99 +/- 2.94   0.165% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    ASP-  86  11.66 +/- 1.79   2.507% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HA    ASP-  86  12.83 +/- 3.32   1.166% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  23.08 +/- 7.74   0.319% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  20.06 +/- 3.85   0.576% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.71 +/- 2.19   0.364% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  26.01 +/- 4.96   0.152% *  0.0173% (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 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 3.55, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.00 +/- 0.08  79.652% * 94.7264% (1.00  10.0 10.00   3.55  42.50) =  99.198%  kept
          HA    SER   85 - HB2   ASP-  86   5.58 +/- 0.10  12.467% *  4.8659% (0.38   1.0  1.00   2.74  13.44) =   0.798%  kept
          HB    THR   77 - HB2   ASP-  86   9.64 +/- 1.65   3.560% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB2   ASP-  86  11.92 +/- 1.67   1.665% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB2   ASP-  86  26.76 +/- 6.52   0.655% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB2   ASP-  86  18.27 +/- 4.17   0.498% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  14.59 +/- 4.51   1.219% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  29.53 +/- 5.91   0.157% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  31.90 +/- 6.28   0.127% *  0.0461% (0.49   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 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 42.5:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  97.929% * 99.6638% (1.00  10.0 10.00   2.85  42.50) =  99.999%  kept
          HB3   PHE   45 - HB2   ASP-  86   9.63 +/- 1.35   0.895% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  11.31 +/- 3.83   0.658% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  21.42 +/- 7.36   0.111% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  18.46 +/- 3.45   0.150% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  21.71 +/- 2.61   0.065% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  16.08 +/- 2.14   0.146% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  24.54 +/- 4.70   0.048% *  0.0175% (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 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 2.31, residual support = 42.4:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.66 +/- 0.15  86.826% * 94.7258% (1.00  10.0 10.00   2.31  42.50) =  99.590%  kept
          HA    SER   85 - HB3   ASP-  86   6.27 +/- 0.31   6.891% *  4.8666% (0.38   1.0  1.00   2.74  13.44) =   0.406%  kept
          HB    THR   77 - HB3   ASP-  86  10.63 +/- 1.70   2.471% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB3   ASP-  86  26.97 +/- 6.76   0.903% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   ASP-  86  12.42 +/- 1.85   1.250% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB3   ASP-  86  17.71 +/- 4.23   0.416% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  14.06 +/- 4.55   0.965% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  29.77 +/- 6.10   0.162% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  32.18 +/- 6.51   0.118% *  0.0461% (0.49   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 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  98.854% * 99.6568% (1.00  10.0 10.00   2.85  42.50) =  99.999%  kept
          HB2   ASN   28 - HB3   ASP-  86  18.16 +/- 8.02   0.262% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  21.44 +/- 6.16   0.141% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  13.62 +/- 2.04   0.559% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  21.27 +/- 4.31   0.086% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  20.35 +/- 5.15   0.097% *  0.0685% (0.69   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 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.30 +/- 0.11  99.468% * 99.9010% (1.00  10.0 10.00   4.31  74.42) =  99.999%  kept
          HB2   PHE   60 - HA    TRP   87  18.69 +/- 3.50   0.532% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.96 +/- 0.04  99.441% * 99.8563% (1.00  10.0 10.00   4.31  74.42) = 100.000%  kept
          HG3   GLN  116 - HA    TRP   87  23.90 +/- 3.23   0.231% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    TRP   87  23.02 +/- 6.04   0.327% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.30 +/- 0.11  99.142% * 99.8808% (1.00  10.0 10.00   4.31  74.42) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  15.81 +/- 4.10   0.439% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  19.26 +/- 2.68   0.222% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  27.04 +/- 5.40   0.197% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.875% * 99.8563% (1.00  10.0 10.00   4.00  74.42) = 100.000%  kept
          HG3   GLN  116 - HB2   TRP   87  22.13 +/- 2.94   0.059% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   TRP   87  22.56 +/- 5.19   0.066% *  0.0448% (0.45   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 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.96 +/- 0.04  98.454% * 99.3033% (1.00  10.0 10.00   4.31  74.42) =  99.997%  kept
        T HA    PHE   59 - HB3   TRP   87  19.15 +/- 2.30   0.440% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  104 - HB3   TRP   87  16.79 +/- 3.64   0.734% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  27.00 +/- 5.37   0.372% *  0.0134% (0.14   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 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  99.837% * 99.9010% (1.00  10.0 10.00   4.00  74.42) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.55 +/- 2.96   0.163% *  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 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 = 2.31, residual support = 12.0:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  96.349% * 99.6403% (1.00  10.0 10.00   2.31  12.01) =  99.998%  kept
          QG2   THR   77 - HA    ALA   88   8.21 +/- 1.24   2.059% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ALA   88  10.92 +/- 1.15   0.788% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  19.95 +/- 3.40   0.401% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  21.33 +/- 5.57   0.159% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  23.74 +/- 1.94   0.075% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  27.70 +/- 2.92   0.051% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  21.70 +/- 3.09   0.118% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 12.0:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  88.207% * 97.3461% (1.00  10.0 10.00   2.31  12.01) =  99.952%  kept
        T HA    SER   48 - QB    ALA   88  13.51 +/- 4.40   3.273% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.034%
        T HD2   PRO   52 - QB    ALA   88  16.10 +/- 4.08   0.533% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   SER   82 - QB    ALA   88  10.08 +/- 0.59   0.857% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QB    SER   85 - QB    ALA   88   5.21 +/- 0.38   6.259% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QB    ALA   88  21.14 +/- 4.16   0.126% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  19.67 +/- 4.22   0.263% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  22.01 +/- 5.86   0.153% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  21.38 +/- 4.22   0.115% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  26.17 +/- 5.97   0.132% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  22.91 +/- 2.88   0.082% *  0.0300% (0.31   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 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 216.5:
    * O T HB    ILE   89 - HA    ILE   89   2.86 +/- 0.24  93.846% * 99.6008% (0.80  10.0 10.00   5.44 216.48) =  99.991%  kept
        T HB    VAL   43 - HA    ILE   89  10.80 +/- 2.08   2.587% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.008%
          QD    LYS+  81 - HA    ILE   89  11.15 +/- 1.62   2.178% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  15.09 +/- 2.43   0.822% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  20.92 +/- 2.05   0.283% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  20.94 +/- 2.16   0.285% *  0.0192% (0.15   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 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 216.5:
    * O T QG2   ILE   89 - HA    ILE   89   2.52 +/- 0.31  96.995% * 99.9320% (1.00  10.0 10.00   6.43 216.48) =  99.999%  kept
          QG1   VAL   83 - HA    ILE   89   8.61 +/- 0.52   2.593% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    ILE   89  16.75 +/- 2.41   0.412% *  0.0154% (0.15   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 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.83, residual support = 216.5:
    * O T HG12  ILE   89 - HA    ILE   89   2.99 +/- 0.57  93.925% * 99.3078% (1.00  10.0 10.00   5.83 216.48) =  99.995%  kept
          HG3   LYS+ 111 - HA    ILE   89  15.97 +/- 2.63   1.457% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HA    ILE   89  22.79 +/- 2.24   0.293% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   89  14.35 +/- 2.32   1.724% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    ILE   89  17.14 +/- 4.21   1.353% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  21.36 +/- 3.31   0.423% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  20.80 +/- 3.00   0.403% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  23.40 +/- 5.60   0.422% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 216.5:
    * O T HA    ILE   89 - HB    ILE   89   2.86 +/- 0.24  88.175% * 99.2091% (0.80  10.0 10.00   5.44 216.48) =  99.990%  kept
        T HA    ILE   89 - HB    VAL   43  10.80 +/- 2.08   2.430% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.006%
          HB3   SER   82 - HB    ILE   89  10.86 +/- 1.01   1.924% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HB    ILE   89  18.16 +/- 1.67   0.395% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  21.90 +/- 1.99   0.225% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  13.53 +/- 2.32   1.124% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  13.54 +/- 2.97   1.269% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.74 +/- 0.97   0.900% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  24.23 +/- 1.92   0.165% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  26.13 +/- 3.55   0.165% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.33 +/- 1.41   0.544% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  17.12 +/- 3.04   0.543% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.10 +/- 3.48   0.382% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  21.43 +/- 3.91   0.292% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  14.45 +/- 3.37   1.099% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.83 +/- 2.33   0.369% *  0.0043% (0.03   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 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.9, residual support = 216.5:
    * O T QG2   ILE   89 - HB    ILE   89   2.12 +/- 0.02  80.604% * 99.5317% (0.80  10.0 10.00   5.90 216.48) =  99.987%  kept
        T QG2   ILE   89 - HB    VAL   43   7.53 +/- 1.60   2.784% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU  104 - HB    VAL   43   9.56 +/- 2.16   6.783% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB    ILE   89   7.08 +/- 1.04   2.566% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB    VAL   43   7.13 +/- 3.30   7.032% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB    ILE   89  16.04 +/- 2.38   0.232% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 5.19, residual support = 216.5:
    * O T HG12  ILE   89 - HB    ILE   89   2.67 +/- 0.28  81.326% * 98.9436% (0.80  10.0 10.00   5.19 216.48) =  99.986%  kept
        T HG12  ILE   89 - HB    VAL   43   9.48 +/- 2.58   3.374% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  99 - HB    ILE   89  21.72 +/- 2.59   0.198% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    VAL   43  13.58 +/- 1.58   0.864% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    ILE   89  12.68 +/- 2.19   1.202% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB    ILE   89  17.07 +/- 2.56   0.452% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    VAL   43   9.48 +/- 1.84   3.588% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  11.63 +/- 2.42   2.713% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  17.68 +/- 3.84   0.529% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  12.02 +/- 2.46   1.526% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  19.26 +/- 3.16   0.429% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  19.89 +/- 3.32   0.303% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  15.21 +/- 5.95   2.338% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  21.85 +/- 6.11   0.343% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.98 +/- 2.01   0.307% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  16.61 +/- 3.17   0.511% *  0.0067% (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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 216.5:
    * O T HA    ILE   89 - QG2   ILE   89   2.52 +/- 0.31  94.830% * 99.5272% (1.00  10.0 10.00   6.43 216.48) =  99.997%  kept
          HB3   SER   82 - QG2   ILE   89   9.55 +/- 0.58   2.163% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  14.16 +/- 1.29   0.618% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QG2   ILE   89  18.08 +/- 1.27   0.288% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  12.81 +/- 2.47   1.285% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.32 +/- 2.93   0.243% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  20.14 +/- 1.32   0.213% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  17.72 +/- 3.09   0.361% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.9, residual support = 216.5:
    * O T HB    ILE   89 - QG2   ILE   89   2.12 +/- 0.02  93.748% * 99.0138% (0.80  10.0 10.00   5.90 216.48) =  99.988%  kept
        T HB    VAL   43 - QG2   ILE   89   7.53 +/- 1.60   3.240% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   LYS+  99 - QG2   ILE   89  16.46 +/- 1.78   0.223% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - QG2   ILE   89  16.57 +/- 1.70   0.214% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   8.49 +/- 1.18   1.855% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  11.42 +/- 1.73   0.720% *  0.0344% (0.28   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 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 216.5:
    * O T HG12  ILE   89 - QG2   ILE   89   2.86 +/- 0.37  89.339% * 99.3078% (1.00  10.0 10.00   6.31 216.48) =  99.993%  kept
          HG2   LYS+  74 - QG2   ILE   89   9.73 +/- 1.63   3.971% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - QG2   ILE   89  18.06 +/- 1.85   0.414% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QG2   ILE   89  13.10 +/- 2.03   1.468% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - QG2   ILE   89  13.33 +/- 3.41   1.684% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QG2   ILE   89  17.65 +/- 5.06   1.603% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  16.14 +/- 2.49   0.730% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  15.62 +/- 2.30   0.790% *  0.0373% (0.38   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 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.83, residual support = 216.4:
    * O T HA    ILE   89 - HG12  ILE   89   2.99 +/- 0.57  78.306% * 98.5945% (1.00  10.0 10.00   5.83 216.48) =  99.978%  kept
        T HB    THR   39 - HG3   LYS+  99   9.87 +/- 1.83   2.724% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.014%
          HB3   SER   82 - HG12  ILE   89  11.52 +/- 1.61   2.379% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   SER   37 - HG3   LYS+  99  11.35 +/- 2.91   2.618% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE   89 - HG3   LYS+  99  22.79 +/- 2.24   0.244% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG3   LYS+  99  18.85 +/- 5.03   2.143% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HG3   LYS+  99  13.68 +/- 4.72   7.961% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG12  ILE   89  17.54 +/- 1.77   0.495% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HG12  ILE   89  22.00 +/- 2.47   0.299% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.87 +/- 3.66   0.741% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  26.42 +/- 3.73   0.232% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  24.35 +/- 2.37   0.209% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  17.31 +/- 3.34   0.653% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  23.65 +/- 4.65   0.238% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  21.62 +/- 3.76   0.409% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  28.54 +/- 4.22   0.349% *  0.0079% (0.08   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.653, support = 5.28, residual support = 207.4:
    * O T HB    ILE   89 - HG12  ILE   89   2.67 +/- 0.28  31.248% * 78.0851% (0.80  10.0 10.00   5.19 216.48) =  78.226%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.72 +/- 0.30  31.466% * 14.8429% (0.15  10.0  1.00   5.24 174.90) =  14.974%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.60 +/- 0.28  34.707% *  6.1021% (0.06  10.0 10.00   6.43 174.90) =   6.790%  kept
        T HB    VAL   43 - HG12  ILE   89   9.48 +/- 2.58   1.180% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.008%
        T HB    VAL   43 - HG3   LYS+  99  13.58 +/- 1.58   0.299% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  21.72 +/- 2.59   0.068% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - HG12  ILE   89  19.41 +/- 2.63   0.091% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.56 +/- 2.82   0.112% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  11.06 +/- 1.29   0.483% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.91 +/- 1.99   0.208% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  19.40 +/- 2.59   0.091% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.17 +/- 3.03   0.047% *  0.0069% (0.07   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 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.3, residual support = 215.8:
    * O T QG2   ILE   89 - HG12  ILE   89   2.86 +/- 0.37  59.994% * 98.9337% (1.00  10.0 10.00   6.31 216.48) =  99.673%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.91 +/- 1.15  33.035% *  0.5767% (0.06   1.0  1.00   1.86  17.37) =   0.320%  kept
          QG1   VAL   83 - HG12  ILE   89   7.34 +/- 1.46   5.462% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   ILE   89 - HG3   LYS+  99  18.06 +/- 1.85   0.265% *  0.4012% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HG3   LYS+  99  16.03 +/- 4.13   0.593% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  15.49 +/- 2.66   0.651% *  0.0153% (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 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 = 94.8:
    * O T HB2   GLN   90 - HA    GLN   90   2.57 +/- 0.23  98.405% * 98.5005% (0.78  10.0 10.00   3.96  94.86) =  99.985%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.15 +/- 1.84   1.186% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.014%
          HB3   GLU-  29 - HA    GLN   90  26.37 +/- 4.80   0.116% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  27.05 +/- 2.23   0.094% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  26.05 +/- 5.45   0.129% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.85 +/- 1.94   0.069% *  0.0243% (0.19   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 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 94.8:
    * O T HB3   GLN   90 - HA    GLN   90   2.81 +/- 0.25  86.293% * 99.0333% (0.82  10.0 10.00   3.96  94.86) =  99.986%  kept
          QB    LYS+  81 - HA    GLN   90   8.41 +/- 2.38   6.278% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.008%
          HB2   MET   92 - HA    GLN   90   7.99 +/- 0.92   4.723% *  0.0577% (0.48   1.0  1.00   0.02   0.17) =   0.003%
          QB    LYS+ 106 - HA    GLN   90  14.70 +/- 1.35   0.669% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   90  19.84 +/- 3.00   0.302% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  19.57 +/- 3.37   0.340% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  19.31 +/- 2.53   0.309% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  21.97 +/- 4.35   0.252% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  20.98 +/- 1.22   0.220% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  24.21 +/- 3.03   0.162% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  25.07 +/- 3.87   0.179% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  29.06 +/- 2.03   0.088% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  23.39 +/- 3.75   0.186% *  0.0366% (0.30   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 94.9:
    * O T QG    GLN   90 - HA    GLN   90   2.64 +/- 0.47  94.251% * 99.3855% (0.88  10.0 10.00   3.59  94.86) =  99.997%  kept
          HB2   ASP-  44 - HA    GLN   90  13.70 +/- 1.50   1.064% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    GLN   90   8.85 +/- 1.10   3.243% *  0.0171% (0.15   1.0  1.00   0.02   0.17) =   0.001%
          HB3   PHE   72 - HA    GLN   90  19.41 +/- 1.83   0.326% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  27.31 +/- 5.92   0.241% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  26.88 +/- 5.07   0.200% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  31.07 +/- 5.35   0.254% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  21.92 +/- 1.95   0.215% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  25.23 +/- 5.18   0.206% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 94.9:
    * O T HA    GLN   90 - HB2   GLN   90   2.57 +/- 0.23  95.575% * 98.8405% (0.78  10.0 10.00   3.96  94.86) =  99.989%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.15 +/- 1.84   1.152% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA  110 - HB3   GLU-  79  20.83 +/- 4.81   0.798% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   GLN   90  16.32 +/- 2.97   0.521% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  22.09 +/- 3.52   0.254% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.09 +/- 4.47   0.286% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  15.61 +/- 2.02   0.569% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  18.91 +/- 1.49   0.292% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.26 +/- 1.46   0.352% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.81 +/- 1.85   0.202% *  0.0113% (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 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 = 94.9:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  93.954% * 96.7995% (0.67  10.0 10.00   3.98  94.86) =  99.994%  kept
        T HB3   GLN   90 - HB3   GLU-  79  13.88 +/- 1.55   0.214% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HB3   GLU-  79   7.12 +/- 0.83   1.626% *  0.0752% (0.52   1.0  1.00   0.02   1.28) =   0.001%
          QB    LYS+  81 - HB2   GLN   90   9.39 +/- 2.19   0.917% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB2   GLN   90   8.41 +/- 1.65   1.542% *  0.0564% (0.39   1.0  1.00   0.02   0.17) =   0.001%
        T HB3   LYS+  38 - HB2   GLN   90  30.95 +/- 2.00   0.018% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  15.56 +/- 1.52   0.148% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  16.87 +/- 5.98   0.220% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  20.58 +/- 3.97   0.123% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.77 +/- 1.81   0.103% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  21.07 +/- 3.34   0.069% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  19.80 +/- 4.62   0.143% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  20.68 +/- 3.76   0.090% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  19.22 +/- 4.24   0.099% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  16.15 +/- 1.70   0.137% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  20.47 +/- 2.57   0.068% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.01 +/- 3.31   0.091% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  20.70 +/- 3.83   0.083% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  23.84 +/- 4.28   0.048% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  22.34 +/- 1.39   0.047% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  21.97 +/- 2.16   0.054% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  25.85 +/- 3.03   0.033% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  24.55 +/- 2.75   0.039% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  27.16 +/- 3.72   0.033% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  24.83 +/- 3.82   0.043% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  22.73 +/- 3.93   0.060% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.91, residual support = 94.8:
    * O T QG    GLN   90 - HB2   GLN   90   2.48 +/- 0.11  91.003% * 96.7466% (0.72  10.0 10.00   3.91  94.86) =  99.981%  kept
        T QG    GLN   90 - HB3   GLU-  79  11.63 +/- 1.42   1.092% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.009%
        T QB    MET   11 - HB3   GLU-  79  24.42 +/- 6.36   0.833% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  29 - HB3   GLU-  79  19.12 +/- 7.10   0.420% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB2   GLN   90  32.80 +/- 5.30   0.087% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  12.75 +/- 1.60   0.796% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   GLN   90   9.18 +/- 1.88   2.937% *  0.0166% (0.12   1.0  1.00   0.02   0.17) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  15.61 +/- 1.48   0.422% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   GLU-  79  15.47 +/- 2.04   0.538% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  20.74 +/- 5.98   0.426% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  22.20 +/- 6.26   0.343% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  26.99 +/- 5.23   0.098% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.34 +/- 1.61   0.157% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  29.00 +/- 5.90   0.131% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  28.63 +/- 5.10   0.084% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  23.35 +/- 2.20   0.124% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  22.16 +/- 2.78   0.158% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  16.46 +/- 1.80   0.351% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 94.9:
    * O T HA    GLN   90 - HB3   GLN   90   2.81 +/- 0.25  98.162% * 99.7400% (0.82  10.0 10.00   3.96  94.86) =  99.999%  kept
          HA    ALA  110 - HB3   GLN   90  16.26 +/- 2.95   0.736% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLN   90  22.03 +/- 3.64   0.297% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  18.43 +/- 1.44   0.382% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  17.95 +/- 1.37   0.423% *  0.0157% (0.13   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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 94.9:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.654% * 98.2851% (0.67  10.0 10.00   3.98  94.86) =  99.997%  kept
        T HB3   GLU-  79 - HB3   GLN   90  13.88 +/- 1.55   0.227% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  38 - HB3   GLN   90  31.28 +/- 1.83   0.018% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  27.72 +/- 5.01   0.034% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  27.37 +/- 5.66   0.041% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  28.25 +/- 2.19   0.025% *  0.1203% (0.82   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 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 = 94.9:
    * O T QG    GLN   90 - HB3   GLN   90   2.30 +/- 0.12  95.479% * 99.3855% (0.75  10.0 10.00   3.91  94.86) =  99.998%  kept
          HG3   MET   92 - HB3   GLN   90   9.13 +/- 2.18   3.528% *  0.0171% (0.13   1.0  1.00   0.02   0.17) =   0.001%
          HB2   ASP-  44 - HB3   GLN   90  15.18 +/- 1.49   0.369% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  28.78 +/- 5.84   0.151% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  20.88 +/- 1.92   0.136% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  28.34 +/- 5.12   0.078% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  23.08 +/- 2.14   0.104% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  32.48 +/- 5.15   0.066% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  26.60 +/- 5.32   0.087% *  0.0247% (0.19   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 94.9:
    * O T HA    GLN   90 - QG    GLN   90   2.64 +/- 0.47  97.043% * 99.7400% (0.88  10.0 10.00   3.59  94.86) =  99.998%  kept
          HA    ALA  110 - QG    GLN   90  14.93 +/- 3.12   1.327% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QG    GLN   90  19.77 +/- 2.98   0.397% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  16.35 +/- 1.25   0.563% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  16.27 +/- 1.58   0.670% *  0.0157% (0.14   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.91, residual support = 94.8:
    * O T HB2   GLN   90 - QG    GLN   90   2.48 +/- 0.11  98.313% * 97.8434% (0.72  10.0 10.00   3.91  94.86) =  99.984%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.63 +/- 1.42   1.179% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   GLU-  29 - QG    GLN   90  24.08 +/- 5.22   0.181% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QG    GLN   90  24.42 +/- 4.62   0.147% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  24.94 +/- 1.94   0.105% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  27.61 +/- 1.60   0.075% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.748, support = 3.9, residual support = 94.4:
    * O T HB3   GLN   90 - QG    GLN   90   2.30 +/- 0.12  90.355% * 86.9072% (0.75  10.0 10.00   3.91  94.86) =  99.537%  kept
        T HB2   MET   92 - QG    GLN   90   8.16 +/- 1.41   2.925% * 12.2951% (0.44   1.0 10.00   0.49   0.17) =   0.456%  kept
          QB    LYS+  81 - QG    GLN   90   7.63 +/- 1.92   4.686% *  0.0933% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+ 106 - QG    GLN   90  13.73 +/- 1.68   0.571% *  0.0960% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QG    GLN   90  18.81 +/- 2.80   0.198% *  0.0984% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  18.38 +/- 3.14   0.267% *  0.0631% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  17.83 +/- 2.61   0.248% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  20.65 +/- 3.98   0.162% *  0.0673% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  19.64 +/- 1.49   0.162% *  0.0673% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  22.43 +/- 2.80   0.111% *  0.0795% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  23.71 +/- 3.30   0.097% *  0.0547% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  26.92 +/- 1.72   0.059% *  0.0869% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  22.08 +/- 3.43   0.157% *  0.0321% (0.28   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 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.25, residual support = 14.4:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  98.076% * 98.3255% (1.00  10.0 10.00   2.25  14.40) =  99.997%  kept
        T QG2   THR   39 - HA    ALA   91  21.51 +/- 1.96   0.107% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ALA   91  18.67 +/- 3.85   0.262% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  13.89 +/- 2.97   0.616% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  14.46 +/- 2.27   0.432% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.43 +/- 6.09   0.158% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.17 +/- 2.38   0.145% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.05 +/- 3.42   0.107% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  25.63 +/- 1.96   0.061% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.41 +/- 2.25   0.036% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.25, residual support = 14.4:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  88.571% * 99.0540% (1.00  10.0 10.00   2.25  14.40) =  99.996%  kept
          HA    VAL  107 - QB    ALA   91  12.37 +/- 2.05   0.595% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   91  10.55 +/- 3.27   2.643% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA   91 - QG2   THR   39  21.51 +/- 1.96   0.096% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   39  10.65 +/- 1.85   0.979% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.53 +/- 1.01   4.343% *  0.0096% (0.10   1.0  1.00   0.02   1.13) =   0.000%
          HA    PRO   52 - QB    ALA   91  12.81 +/- 3.38   1.060% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  17.55 +/- 3.60   0.296% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  18.67 +/- 3.85   0.237% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  17.31 +/- 1.45   0.181% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  19.85 +/- 3.75   0.399% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.32 +/- 2.03   0.074% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.62 +/- 4.57   0.307% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  21.92 +/- 2.24   0.091% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  21.44 +/- 3.95   0.129% *  0.0021% (0.02   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 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD2   PRO   93   3.87 +/- 0.09 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.34) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HD2   PRO   93   3.78 +/- 0.25  65.145% * 99.2584% (0.73  10.0 10.00   5.40 132.34) =  99.974%  kept
          HG3   PRO   52 - HD2   PRO   93  10.75 +/- 5.59  20.317% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.010%
          HB    VAL  108 - HD2   PRO   93  11.06 +/- 2.27   5.440% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HD2   PRO   93  13.30 +/- 3.83   3.100% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HD2   PRO   93  16.46 +/- 3.22   3.048% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   GLN   30 - HD2   PRO   93  22.42 +/- 3.39   0.382% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   58 - HD2   PRO   93  15.42 +/- 3.56   1.561% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  21.90 +/- 3.00   0.424% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.29 +/- 2.57   0.256% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  28.99 +/- 4.59   0.180% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  33.57 +/- 5.85   0.148% *  0.0408% (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 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HG2   PRO   93 - HD2   PRO   93   2.66 +/- 0.30  76.229% * 99.4388% (0.73  10.0 10.00   4.00 132.34) =  99.987%  kept
          HB3   PRO   52 - HD2   PRO   93  10.84 +/- 5.47  18.049% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+  65 - HD2   PRO   93  15.21 +/- 4.81   2.291% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HD2   PRO   93  16.89 +/- 4.05   0.801% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   93  17.31 +/- 2.55   1.039% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   93  18.74 +/- 2.39   0.422% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.78 +/- 2.26   0.306% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.71 +/- 3.44   0.271% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.93 +/- 3.95   0.432% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  24.93 +/- 4.99   0.161% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  94.193% * 98.6805% (0.65  10.0 10.00   4.00 132.34) =  99.993%  kept
          HB3   CYS   53 - HD2   PRO   93   9.99 +/- 3.89   3.324% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.004%
          QB    PHE   55 - HD2   PRO   93  11.33 +/- 4.31   1.652% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HD2   PRO   93  20.04 +/- 4.45   0.127% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HD2   PRO   93  14.70 +/- 3.78   0.333% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  13.70 +/- 3.08   0.370% *  0.0579% (0.38   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 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HD3   PRO   93   3.89 +/- 0.09  97.682% * 99.8223% (0.90  10.0 10.00   5.31 132.34) =  99.996%  kept
        T HA    PRO   93 - HD3   PRO   68  17.27 +/- 3.81   2.318% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.06, 3.34, 50.24 ppm):
    22 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.2:
    * O T HB2   PRO   93 - HD3   PRO   93   3.83 +/- 0.25  55.831% * 97.2654% (0.90  10.0 10.00   5.40 132.34) =  99.921%  kept
        T HB2   ARG+  54 - HD3   PRO   93  12.94 +/- 3.46   2.609% *  0.8437% (0.78   1.0 10.00   0.02   0.02) =   0.041%
          HG3   PRO   52 - HD3   PRO   93  10.47 +/- 5.23  15.689% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.009%
        T HB2   PRO   93 - HD3   PRO   68  16.92 +/- 4.43   2.034% *  0.1731% (0.16   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL  108 - HD3   PRO   93  11.03 +/- 2.18   3.555% *  0.0779% (0.72   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   ARG+  54 - HD3   PRO   68  19.64 +/- 4.42   1.189% *  0.1502% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  14 - HD3   PRO   68  17.68 +/- 4.03   2.149% *  0.0650% (0.06   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   GLN   30 - HD3   PRO   93  22.42 +/- 3.42   0.383% *  0.2704% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HD3   PRO   68  20.99 +/- 6.30   1.333% *  0.0712% (0.07   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HD3   PRO   93  16.17 +/- 3.05   1.614% *  0.0551% (0.51   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   GLU-  14 - HD3   PRO   93  28.94 +/- 4.55   0.198% *  0.3650% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   PRO   68  14.84 +/- 3.14   1.398% *  0.0481% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   93  33.49 +/- 5.60   0.151% *  0.3999% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  15.18 +/- 3.18   1.630% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   68  15.42 +/- 4.31   4.150% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   PRO   93  21.92 +/- 3.12   0.501% *  0.0551% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   PRO   68  14.82 +/- 3.02   2.023% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  26.38 +/- 2.68   0.291% *  0.0473% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  17.88 +/- 3.39   1.088% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.88 +/- 2.98   0.465% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.09 +/- 2.16   0.990% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  22.04 +/- 5.01   0.726% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.892, support = 3.98, residual support = 131.5:
    * O T HG2   PRO   93 - HD3   PRO   93   2.54 +/- 0.30  55.058% * 97.6747% (0.90  10.0 10.00   4.00 132.34) =  99.342%  kept
          QB    LYS+  66 - HD3   PRO   68   4.35 +/- 1.65  27.953% *  1.1981% (0.14   1.0  1.00   1.54   0.02) =   0.619%  kept
        T HB3   PRO   52 - HD3   PRO   93  10.59 +/- 5.06   5.632% *  0.3015% (0.28   1.0 10.00   0.02   0.02) =   0.031%
          QB    LYS+  65 - HD3   PRO   93  14.99 +/- 4.72   1.428% *  0.0816% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HD3   PRO   93  16.63 +/- 4.14   0.656% *  0.0876% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HD3   PRO   68  18.45 +/- 4.82   0.309% *  0.1738% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   68   7.27 +/- 1.19   2.805% *  0.0145% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD3   PRO   93  17.33 +/- 2.60   0.544% *  0.0553% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD3   PRO   68  10.31 +/- 1.40   1.326% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  20.64 +/- 3.64   0.232% *  0.0782% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  18.75 +/- 2.61   0.244% *  0.0709% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  20.83 +/- 2.32   0.147% *  0.0902% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  21.06 +/- 4.66   0.245% *  0.0537% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  20.62 +/- 3.92   0.237% *  0.0301% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.03 +/- 1.89   0.540% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  14.37 +/- 4.19   1.271% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  16.71 +/- 5.27   0.769% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.69 +/- 2.94   0.250% *  0.0160% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  17.11 +/- 3.04   0.274% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  24.85 +/- 5.00   0.081% *  0.0272% (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 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  98.674% * 99.5607% (0.65  10.0 10.00   4.00 132.34) =  99.999%  kept
          HA    THR   77 - HD3   PRO   93  11.24 +/- 2.05   0.571% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HD3   PRO   68  20.04 +/- 4.45   0.133% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  19.99 +/- 2.99   0.123% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  16.85 +/- 3.95   0.390% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  18.41 +/- 2.86   0.109% *  0.0219% (0.14   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 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.3:
    * O T HB2   PRO   93 - HA    PRO   93   2.35 +/- 0.13  92.501% * 99.2584% (1.00  10.0 10.00   5.98 132.34) =  99.995%  kept
          HB    VAL  108 - HA    PRO   93  10.15 +/- 1.84   1.736% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   52 - HA    PRO   93  11.44 +/- 4.33   3.238% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    PRO   93  13.36 +/- 2.57   0.752% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  19.45 +/- 3.15   0.204% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    PRO   93  15.28 +/- 2.43   0.545% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  14.34 +/- 2.78   0.554% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.86 +/- 2.51   0.210% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  23.40 +/- 1.39   0.100% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  26.20 +/- 4.12   0.087% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  30.86 +/- 5.48   0.074% *  0.0408% (0.41   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 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  63.859% * 99.4388% (1.00  10.0 10.00   5.31 132.34) =  99.965%  kept
          QB    LYS+  65 - HA    PRO   93  12.93 +/- 4.47  15.579% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.020%
          HB3   PRO   52 - HA    PRO   93  11.42 +/- 4.09  12.146% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HA    PRO   93  14.68 +/- 3.31   1.876% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HA    PRO   93  17.62 +/- 2.91   1.563% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HA    PRO   93  14.68 +/- 1.72   1.770% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    PRO   93  15.67 +/- 1.40   1.152% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  18.58 +/- 1.42   0.695% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  19.71 +/- 2.98   0.788% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  22.19 +/- 4.82   0.573% *  0.0276% (0.28   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 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.3:
    * O T HD2   PRO   93 - HA    PRO   93   3.87 +/- 0.09  83.912% * 99.7770% (0.73  10.0 10.00   5.31 132.34) =  99.977%  kept
          HA    THR   77 - HA    PRO   93   8.55 +/- 2.04  14.906% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.022%
          HB2   TRP   27 - HA    PRO   93  17.13 +/- 2.36   1.182% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.3:
    * O T HD3   PRO   93 - HA    PRO   93   3.89 +/- 0.09  73.420% * 98.6805% (0.90  10.0 10.00   5.31 132.34) =  99.945%  kept
        T HD3   PRO   68 - HA    PRO   93  17.27 +/- 3.81   1.711% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.023%
          HB3   CYS   53 - HA    PRO   93   9.35 +/- 2.69  12.067% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.018%
          QB    PHE   55 - HA    PRO   93  11.31 +/- 3.30   7.043% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.009%
          HB2   PHE   59 - HA    PRO   93  12.11 +/- 2.55   3.940% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HA    PRO   93  14.65 +/- 2.57   1.819% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.39, residual support = 132.2:
    * O T HG2   PRO   93 - HB2   PRO   93   2.85 +/- 0.23  53.884% * 99.0260% (1.00  10.0 10.00   5.40 132.34) =  99.908%  kept
        T HB3   PRO   52 - HB2   PRO   93  10.46 +/- 4.74  11.297% *  0.3056% (0.31   1.0 10.00   0.02   0.02) =   0.065%
          QB    LYS+  65 - HB2   PRO   93  12.41 +/- 4.73  12.765% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.020%
          QB    LYS+  66 - HB2   PRO   93  14.15 +/- 3.80   1.325% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HB2   PRO   93  15.97 +/- 2.25   0.853% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HG3   GLN   30  12.48 +/- 3.52   1.606% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   PRO   93  17.93 +/- 2.95   0.422% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   PRO   93  16.64 +/- 1.91   0.365% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30  10.00 +/- 3.28   4.452% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.60 +/- 1.91   0.246% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   GLN   30  10.29 +/- 3.20   3.201% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  22.56 +/- 6.85   5.873% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  21.75 +/- 3.09   0.157% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  18.98 +/- 3.74   0.347% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  15.69 +/- 4.41   1.344% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  22.03 +/- 4.86   0.203% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  14.90 +/- 3.11   0.560% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  14.62 +/- 3.02   0.554% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.37 +/- 3.16   0.450% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.23 +/- 3.63   0.098% *  0.0024% (0.02   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 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HD2   PRO   93 - HB2   PRO   93   3.78 +/- 0.25  71.475% * 99.6822% (0.73  10.0 10.00   5.40 132.34) =  99.980%  kept
          HA    THR   77 - HB2   PRO   93   9.85 +/- 2.54   9.260% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.016%
          HB2   TRP   27 - HG3   GLN   30   6.62 +/- 0.69  16.557% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  17.93 +/- 2.34   0.776% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HG3   GLN   30  22.42 +/- 3.39   0.417% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  17.73 +/- 5.38   1.514% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.2:
    * O T HD3   PRO   93 - HB2   PRO   93   3.83 +/- 0.25  57.671% * 97.4649% (0.90  10.0 10.00   5.40 132.34) =  99.870%  kept
          HB3   CYS   53 - HB2   PRO   93   8.46 +/- 3.37  19.784% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.038%
        T HD3   PRO   68 - HB2   PRO   93  16.92 +/- 4.43   2.073% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.035%
        T HD2   ARG+  54 - HB2   PRO   93  13.50 +/- 3.24   1.713% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.033%
          QB    PHE   55 - HB2   PRO   93  10.24 +/- 4.07  10.745% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.017%
          HB2   PHE   59 - HB2   PRO   93  11.37 +/- 2.96   4.018% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   68 - HG3   GLN   30  14.84 +/- 3.14   1.488% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HG3   GLN   30  25.10 +/- 5.09   0.465% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  22.42 +/- 3.42   0.403% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HG3   GLN   30  22.02 +/- 3.66   0.529% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  21.55 +/- 3.65   0.493% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  19.45 +/- 3.32   0.619% *  0.0045% (0.04   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 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HG2   PRO   93   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.34) = 100.000%  kept
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HG2   PRO   93   2.85 +/- 0.23  80.563% * 98.7141% (1.00  10.0 10.00   5.40 132.34) =  99.946%  kept
        T HG3   PRO   52 - HG2   PRO   93  10.25 +/- 5.23  10.956% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.042%
        T HG2   PRO   58 - HG2   PRO   93  13.59 +/- 3.24   1.305% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          HB    VAL  108 - HG2   PRO   93  10.83 +/- 2.27   3.075% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HG2   PRO   93  12.13 +/- 3.47   1.907% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HG2   PRO   93  14.47 +/- 3.17   1.306% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   PRO   93  21.75 +/- 3.09   0.233% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG2   PRO   93  21.34 +/- 2.74   0.263% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  25.70 +/- 2.71   0.185% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  27.87 +/- 4.34   0.127% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  32.31 +/- 5.82   0.080% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HG2   PRO   93   2.66 +/- 0.30  97.399% * 99.7770% (0.73  10.0 10.00   4.00 132.34) =  99.997%  kept
          HA    THR   77 - HG2   PRO   93  11.96 +/- 2.38   2.200% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   27 - HG2   PRO   93  19.72 +/- 2.47   0.401% *  0.0998% (0.73   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 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.54 +/- 0.30  74.068% * 98.6805% (0.90  10.0 10.00   4.00 132.34) =  99.959%  kept
          HB3   CYS   53 - HG2   PRO   93   8.92 +/- 3.62  17.923% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.027%
          QB    PHE   55 - HG2   PRO   93   9.88 +/- 4.29   5.501% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.007%
        T HD3   PRO   68 - HG2   PRO   93  18.45 +/- 4.82   0.424% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HG2   PRO   93  13.57 +/- 3.35   0.784% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   93  11.72 +/- 2.95   1.300% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 25.4:
    * O T HB    THR   94 - HA    THR   94   3.01 +/- 0.13  89.222% * 99.2375% (0.84  10.0 10.00   2.43  25.37) =  99.991%  kept
          QB    SER   48 - HA    THR   94  12.59 +/- 1.35   1.513% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - HA    THR   94  15.08 +/- 3.66   1.783% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HA    THR   94  10.97 +/- 1.00   2.050% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    THR   94  14.44 +/- 1.28   0.873% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  14.92 +/- 1.83   0.942% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  16.91 +/- 1.63   0.562% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  12.56 +/- 2.49   2.161% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  17.26 +/- 1.67   0.519% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    THR   94  24.45 +/- 5.43   0.376% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.01, residual support = 25.4:
    * O T QG2   THR   94 - HA    THR   94   2.51 +/- 0.26  89.048% * 99.7175% (1.00  10.0 10.00   3.01  25.37) =  99.990%  kept
          HD2   LYS+ 112 - HA    THR   94  10.06 +/- 3.56   6.341% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LYS+ 112 - HA    THR   94  10.42 +/- 2.34   2.566% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   71 - HA    THR   94  17.11 +/- 3.16   0.832% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HA    THR   94  11.79 +/- 1.05   1.215% *  0.0308% (0.31   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 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.4:
    * O T HA    THR   94 - HB    THR   94   3.01 +/- 0.13  97.833% * 99.9751% (0.84  10.0 10.00   2.43  25.37) =  99.999%  kept
          HA    LYS+  74 - HB    THR   94  10.99 +/- 0.97   2.167% *  0.0249% (0.21   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 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 = 2.54, residual support = 25.4:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.02  96.715% * 99.7175% (0.84  10.0 10.00   2.54  25.37) =  99.998%  kept
          HD2   LYS+ 112 - HB    THR   94  12.31 +/- 3.30   1.209% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HB    THR   94  12.84 +/- 2.11   0.709% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HB    THR   94  17.14 +/- 2.84   0.518% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    THR   94  10.91 +/- 1.05   0.849% *  0.0308% (0.26   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 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.01, residual support = 25.4:
    * O T HA    THR   94 - QG2   THR   94   2.51 +/- 0.26  97.978% * 99.9751% (1.00  10.0 10.00   3.01  25.37) =  99.999%  kept
          HA    LYS+  74 - QG2   THR   94  10.10 +/- 0.90   2.022% *  0.0249% (0.25   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 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.54, residual support = 25.4:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.02  93.566% * 99.2375% (0.84  10.0 10.00   2.54  25.37) =  99.995%  kept
          QB    SER   48 - QG2   THR   94  11.37 +/- 1.66   1.051% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QG2   THR   94  10.84 +/- 1.31   0.888% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QG2   THR   94  13.49 +/- 3.14   0.911% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94   9.77 +/- 1.17   1.185% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QG2   THR   94  20.65 +/- 4.82   0.402% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  14.88 +/- 1.67   0.326% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  14.23 +/- 1.87   0.424% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.67 +/- 2.15   0.355% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  12.19 +/- 2.41   0.891% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.01 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.47) = 100.000%  kept
    Distance limit 3.83 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   2.51 +/- 0.19  98.882% * 99.8670% (1.00  10.0 10.00   4.00  73.47) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  12.81 +/- 1.94   0.953% *  0.0990% (0.99   1.0  1.00   0.02   0.75) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  22.00 +/- 1.67   0.165% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.01 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.47) = 100.000%  kept
    Distance limit 3.92 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  99.418% * 99.8670% (1.00  10.0 10.00   3.31  73.47) =  99.999%  kept
          HG2   GLN  116 - HB2   PHE   95  10.92 +/- 1.84   0.538% *  0.0990% (0.99   1.0  1.00   0.02   0.75) =   0.001%
          HG2   GLU-  25 - HB2   PHE   95  23.76 +/- 2.26   0.045% *  0.0341% (0.34   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 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   2.51 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.47) = 100.000%  kept
    Distance limit 3.56 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  73.47) = 100.000%  kept
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.977, support = 4.98, residual support = 114.7:
    * O T HB2   MET   96 - HA    MET   96   2.93 +/- 0.18  83.949% * 95.8097% (0.98  10.0 10.00   5.00 115.41) =  99.422%  kept
          HB2   ASP- 105 - HA    MET   96   5.96 +/- 0.97  12.032% *  3.8655% (0.40   1.0  1.00   1.96   0.02) =   0.575%  kept
          HB    VAL   70 - HA    MET   96  11.62 +/- 1.58   1.578% *  0.0732% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    MET   96  17.98 +/- 4.40   0.808% *  0.0658% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.63 +/- 0.73   0.698% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  15.26 +/- 1.56   0.684% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    MET   96  21.63 +/- 2.34   0.251% *  0.0542% (0.55   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 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   2.75 +/- 0.18  97.803% * 99.7402% (0.98  10.0 10.00   5.00 115.41) =  99.998%  kept
          HB2   LEU   40 - HA    MET   96  11.82 +/- 1.12   1.370% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  23.14 +/- 3.65   0.286% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  28.43 +/- 5.20   0.159% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  18.66 +/- 2.26   0.382% *  0.0249% (0.24   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 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   3.17 +/- 0.59  98.867% * 99.6261% (0.98  10.0 10.00   4.44 115.41) =  99.996%  kept
        T HB2   PRO   52 - HA    MET   96  17.47 +/- 3.74   1.133% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 3.97 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   2.68 +/- 0.46  93.039% * 99.7437% (0.59  10.0 10.00   4.44 115.41) =  99.997%  kept
          HB3   TRP   87 - HA    MET   96  10.15 +/- 3.12   3.644% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    MET   96  13.30 +/- 2.94   2.307% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN  116 - HA    MET   96  15.44 +/- 2.35   0.776% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  21.35 +/- 1.66   0.234% *  0.1374% (0.82   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 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   2.93 +/- 0.18  96.141% * 99.9773% (0.98  10.0 10.00   5.00 115.41) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96  10.05 +/- 1.89   3.859% *  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 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  99.296% * 99.7402% (1.00  10.0 10.00   5.00 115.41) =  99.999%  kept
          HB2   LEU   40 - HB2   MET   96  11.40 +/- 1.53   0.461% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  22.12 +/- 4.19   0.105% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  27.52 +/- 5.21   0.044% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.07 +/- 2.15   0.093% *  0.0249% (0.25   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 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   2.61 +/- 0.27  99.539% * 99.6261% (1.00  10.0 10.00   4.44 115.41) =  99.998%  kept
        T HB2   PRO   52 - HB2   MET   96  18.08 +/- 3.37   0.461% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB2   MET   96   2.74 +/- 0.23  92.132% * 99.7437% (0.61  10.0 10.00   4.44 115.41) =  99.997%  kept
          HB3   TRP   87 - HB2   MET   96   8.74 +/- 2.85   5.585% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HB2   MET   96  13.87 +/- 3.11   1.592% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB2   MET   96  20.26 +/- 1.65   0.247% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  17.22 +/- 2.23   0.445% *  0.0457% (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 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   2.75 +/- 0.18  97.623% * 99.9773% (0.98  10.0 10.00   5.00 115.41) =  99.999%  kept
          HA    PHE   72 - HB3   MET   96  10.45 +/- 1.75   2.377% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.82 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  97.578% * 99.6213% (1.00  10.0 10.00   5.00 115.41) =  99.999%  kept
          HB2   ASP- 105 - HB3   MET   96   8.43 +/- 1.10   1.097% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  11.43 +/- 1.78   0.446% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.54 +/- 5.25   0.361% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.41 +/- 1.84   0.268% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  14.65 +/- 1.22   0.182% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  20.41 +/- 2.35   0.068% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.70 +/- 0.26  99.507% * 99.6261% (1.00  10.0 10.00   4.44 115.41) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  17.82 +/- 3.76   0.493% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.92 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 +/- 0.26  89.592% * 99.7437% (0.61  10.0 10.00   4.44 115.41) =  99.995%  kept
          HB3   TRP   87 - HB3   MET   96   8.56 +/- 3.44   7.655% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HB3   MET   96  14.02 +/- 3.04   1.986% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB3   MET   96  20.79 +/- 2.01   0.263% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.09 +/- 2.24   0.504% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.17 +/- 0.59  93.952% * 99.6779% (0.98  10.0 10.00   4.44 115.41) =  99.996%  kept
        T HA    MET   96 - HB2   PRO   52  17.47 +/- 3.74   1.076% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          HA    PHE   72 - HG2   MET   96  11.55 +/- 2.25   4.177% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   PRO   52  20.85 +/- 4.57   0.794% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 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   2.61 +/- 0.27  87.033% * 96.8815% (1.00  10.0 10.00   4.44 115.41) =  99.873%  kept
          HB2   ASP- 105 - HG2   MET   96   8.18 +/- 1.33   4.313% *  2.3972% (0.41   1.0  1.00   1.20   0.02) =   0.122%  kept
        T HB2   MET   96 - HB2   PRO   52  18.08 +/- 3.37   0.403% *  0.2846% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   MET   96  12.58 +/- 1.88   1.249% *  0.0740% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG2   MET   96  18.41 +/- 5.21   0.720% *  0.0665% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.94 +/- 1.09   0.669% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  14.66 +/- 1.72   0.574% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  19.06 +/- 4.60   2.458% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  18.02 +/- 5.04   1.398% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  20.92 +/- 3.03   0.213% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  20.31 +/- 3.97   0.530% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  22.30 +/- 4.06   0.201% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  29.57 +/- 4.58   0.126% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  28.35 +/- 5.25   0.114% *  0.0161% (0.17   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 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   2.70 +/- 0.26  91.015% * 99.3732% (1.00  10.0 10.00   4.44 115.41) =  99.996%  kept
        T HB3   MET   96 - HB2   PRO   52  17.82 +/- 3.76   0.450% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - HG2   MET   96  12.16 +/- 1.56   1.314% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG2   MET   96  23.19 +/- 4.97   0.544% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.08 +/- 0.79   5.927% *  0.0073% (0.07   1.0  1.00   0.02   1.97) =   0.000%
          HG3   MET   11 - HG2   MET   96  28.72 +/- 5.94   0.168% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.44 +/- 2.15   0.242% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  24.04 +/- 3.86   0.155% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.36 +/- 4.02   0.085% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  33.18 +/- 7.60   0.098% *  0.0201% (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 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  96.868% * 99.2819% (0.61  10.0 10.00   4.00 115.41) =  99.998%  kept
          HB3   TRP   87 - HG2   MET   96   8.69 +/- 3.44   1.751% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   MET   96 - HB2   PRO   52  19.10 +/- 3.87   0.126% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.29 +/- 3.06   0.296% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  15.47 +/- 3.15   0.266% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  20.58 +/- 2.34   0.069% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  14.23 +/- 3.47   0.391% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.08 +/- 2.56   0.103% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  18.64 +/- 3.70   0.115% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  34.01 +/- 4.40   0.016% *  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   2.68 +/- 0.46  97.011% * 99.9773% (0.59  10.0 10.00   4.44 115.41) =  99.999%  kept
          HA    PHE   72 - HG3   MET   96  11.62 +/- 2.27   2.989% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 4.44, residual support = 115.3:
    * O T HB2   MET   96 - HG3   MET   96   2.74 +/- 0.23  90.808% * 97.6273% (0.61  10.0 10.00   4.44 115.41) =  99.871%  kept
          HB2   ASP- 105 - HG3   MET   96   7.53 +/- 0.97   5.482% *  2.0417% (0.25   1.0  1.00   1.02   0.02) =   0.126%  kept
          HB    VAL   70 - HG3   MET   96  12.51 +/- 1.70   1.253% *  0.0746% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG3   MET   96  18.50 +/- 4.85   0.863% *  0.0671% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.82 +/- 0.95   0.746% *  0.0709% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  15.28 +/- 1.64   0.615% *  0.0632% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  21.18 +/- 2.98   0.233% *  0.0553% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.26  97.320% * 99.7402% (0.61  10.0 10.00   4.44 115.41) =  99.998%  kept
          HB2   LEU   40 - HG3   MET   96  12.05 +/- 1.50   1.656% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG3   MET   96  23.33 +/- 4.34   0.472% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  28.87 +/- 5.49   0.203% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.42 +/- 2.39   0.349% *  0.0249% (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 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  99.870% * 99.6261% (0.61  10.0 10.00   4.00 115.41) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  19.10 +/- 3.87   0.130% *  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   2.88 +/- 0.23  83.280% * 99.7149% (1.00  10.0 10.00   2.89  62.26) =  99.989%  kept
          QE    LYS+ 106 - HA    PHE   97   7.93 +/- 0.82   4.605% *  0.0724% (0.73   1.0  1.00   0.02  10.88) =   0.004%
          HB3   PHE   60 - HA    PHE   97  11.74 +/- 2.88   4.974% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+  99 - HA    PHE   97   7.72 +/- 0.69   4.814% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HA    PHE   97  13.07 +/- 2.66   1.343% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  38 - HA    PHE   97  13.64 +/- 1.55   0.985% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.3:
    * O T HB3   PHE   97 - HA    PHE   97   2.75 +/- 0.24  96.095% * 99.7224% (0.95  10.0 10.00   3.44  62.26) =  99.997%  kept
          HB2   GLU- 100 - HA    PHE   97  11.24 +/- 0.76   1.592% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PHE   97  15.70 +/- 3.29   1.068% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  15.69 +/- 2.44   0.729% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    PHE   97  17.07 +/- 2.22   0.516% *  0.0185% (0.18   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 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.3:
    * O T HA    PHE   97 - HB2   PHE   97   2.88 +/- 0.23 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.26) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.3:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.022% * 99.7224% (0.95  10.0 10.00   3.31  62.26) =  99.999%  kept
          HB2   PRO   58 - HB2   PHE   97  15.76 +/- 3.99   0.329% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   97  11.81 +/- 1.11   0.352% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.90 +/- 2.66   0.206% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  18.98 +/- 2.06   0.091% *  0.0185% (0.18   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 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.3:
    * O T HA    PHE   97 - HB3   PHE   97   2.75 +/- 0.24 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.26) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.3:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  95.747% * 99.7149% (0.95  10.0 10.00   3.31  62.26) =  99.997%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.32 +/- 1.10   1.740% *  0.0724% (0.69   1.0  1.00   0.02  10.88) =   0.001%
          QE    LYS+  99 - HB3   PHE   97   7.98 +/- 1.07   1.204% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB3   PHE   97  14.97 +/- 3.36   0.442% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.75 +/- 3.23   0.659% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.38 +/- 1.98   0.208% *  0.0197% (0.19   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 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 = 75.9:
    * O T QB    LEU   98 - HA    LEU   98   2.23 +/- 0.08  89.972% * 99.2568% (0.87  10.0 10.00   4.97  75.93) =  99.995%  kept
          HD3   LYS+ 121 - HA    LEU   98  14.57 +/- 6.97   1.159% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LEU   98   8.06 +/- 1.46   3.309% *  0.0226% (0.20   1.0  1.00   0.02   0.41) =   0.001%
          QB    ALA   61 - HA    LEU   98  14.32 +/- 3.83   1.786% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LEU   98  16.09 +/- 2.43   0.429% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    LEU   98  17.51 +/- 4.17   0.286% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  20.33 +/- 3.85   0.367% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.66 +/- 3.34   0.307% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  18.24 +/- 4.57   0.278% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  13.97 +/- 2.70   0.534% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.46 +/- 1.45   0.252% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  14.15 +/- 2.86   0.610% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  14.10 +/- 2.56   0.506% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  17.94 +/- 2.31   0.207% *  0.0226% (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 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.962, support = 4.91, residual support = 72.3:
    *   T QD1   LEU   98 - HA    LEU   98   3.13 +/- 0.44  53.146% * 93.5485% (1.00 10.00   4.94  75.93) =  94.490%  kept
          QD2   LEU  104 - HA    LEU   98   3.60 +/- 1.20  45.307% *  6.3979% (0.31  1.00   4.43  10.11) =   5.509%  kept
          QG2   ILE   19 - HA    LEU   98  14.76 +/- 2.97   0.621% *  0.0351% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.14 +/- 2.79   0.926% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 4.04, residual support = 73.5:
    *   T QD2   LEU   98 - HA    LEU   98   3.84 +/- 0.21  63.327% * 89.4007% (1.00 10.00   4.13  75.93) =  95.055%  kept
          QG2   VAL   41 - HA    LEU   98   5.58 +/- 1.45  30.285% *  9.6686% (0.95  1.00   2.29  26.26) =   4.916%  kept
        T QD1   LEU   80 - HA    LEU   98  14.88 +/- 3.88   1.715% *  0.8940% (1.00 10.00   0.02   0.02) =   0.026%
          QD2   LEU   63 - HA    LEU   98  11.01 +/- 2.48   4.672% *  0.0368% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 4.60 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 = 75.9:
    * O T HA    LEU   98 - QB    LEU   98   2.23 +/- 0.08 100.000% *100.0000% (0.87  10.0 10.00   4.97  75.93) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.863, support = 3.96, residual support = 75.5:
    * O T QD1   LEU   98 - QB    LEU   98   2.10 +/- 0.12  86.022% * 95.0582% (0.87  10.0 10.00   3.96  75.93) =  99.302%  kept
          QD2   LEU  104 - QB    LEU   98   4.72 +/- 1.02  12.128% *  4.7180% (0.27   1.0  1.00   3.22  10.11) =   0.695%  kept
        T QD1   ILE   19 - QB    LEU   98  12.03 +/- 3.00   1.029% *  0.1881% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QG2   ILE   19 - QB    LEU   98  12.53 +/- 3.04   0.820% *  0.0357% (0.33   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 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.856, support = 3.05, residual support = 63.5:
    * O T QD2   LEU   98 - QB    LEU   98   2.06 +/- 0.07  72.700% * 51.1151% (0.87  10.0 10.00   3.19  75.93) =  74.953%  kept
        T QG2   VAL   41 - QB    LEU   98   3.67 +/- 1.32  25.674% * 48.3528% (0.82   1.0 10.00   2.65  26.26) =  25.039%  kept
        T QD1   LEU   80 - QB    LEU   98  11.78 +/- 3.60   0.649% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - QB    LEU   98   9.82 +/- 2.21   0.977% *  0.0210% (0.36   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 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.94, residual support = 75.9:
    *   T HA    LEU   98 - QD1   LEU   98   3.13 +/- 0.44 100.000% *100.0000% (1.00 10.00   4.94  75.93) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.96, residual support = 75.9:
    * O T QB    LEU   98 - QD1   LEU   98   2.10 +/- 0.12  85.500% * 98.1517% (0.87  10.0 10.00   3.96  75.93) =  99.984%  kept
        T HG    LEU   80 - QD1   LEU   98  13.43 +/- 4.23   0.801% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HG12  ILE   19 - QD1   LEU   98  14.35 +/- 3.77   0.473% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QD1   LEU   98   7.50 +/- 1.82   5.633% *  0.0224% (0.20   1.0  1.00   0.02   0.41) =   0.002%
          HD3   LYS+ 121 - QD1   LEU   98  14.24 +/- 5.70   0.743% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  12.73 +/- 3.98   0.703% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   98  17.30 +/- 3.70   0.973% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   98  12.99 +/- 2.17   0.485% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   LEU   98  12.61 +/- 3.04   1.431% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QD1   LEU   98  13.89 +/- 1.51   0.348% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  11.17 +/- 2.87   1.176% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.92 +/- 2.43   0.650% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.61 +/- 2.16   0.672% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  15.86 +/- 2.43   0.412% *  0.0224% (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 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 2.58, residual support = 75.4:
    * O T QD2   LEU   98 - QD1   LEU   98   2.05 +/- 0.06  82.285% * 94.1834% (1.00  10.0 10.00   2.59  75.93) =  99.026%  kept
          QG2   VAL   41 - QD1   LEU   98   4.35 +/- 1.28  15.529% *  4.8360% (0.95   1.0  1.00   1.09  26.26) =   0.960%  kept
        T QD1   LEU   80 - QD1   LEU   98  10.84 +/- 3.61   1.150% *  0.9418% (1.00   1.0 10.00   0.02   0.02) =   0.014%
          QD2   LEU   63 - QD1   LEU   98  10.28 +/- 2.34   1.036% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 75.9:
    *   T HA    LEU   98 - QD2   LEU   98   3.84 +/- 0.21  97.418% * 99.4301% (1.00 10.00   4.13  75.93) =  99.985%  kept
        T HA    LEU   98 - QD1   LEU   80  14.88 +/- 3.88   2.582% *  0.5699% (0.57 10.00   0.02   0.02) =   0.015%
    Distance limit 4.55 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 = 0.698, support = 3.77, residual support = 79.5:
    * O T QB    LEU   98 - QD2   LEU   98   2.06 +/- 0.07  36.610% * 50.3539% (0.87  10.0 10.00   3.19  75.93) =  62.571%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.78 +/- 0.37  17.183% * 32.1120% (0.55  10.0 10.00   4.92  85.52) =  18.729%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  33.981% * 16.1964% (0.28  10.0  1.00   4.60  85.52) =  18.681%  kept
        T HB2   LEU   80 - QD2   LEU   98  11.85 +/- 4.19   0.477% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.009%
        T QB    LEU   98 - QD1   LEU   80  11.78 +/- 3.60   0.314% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QD1   LEU   80   9.65 +/- 3.67   1.106% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD2   LEU   98   6.42 +/- 1.34   2.513% *  0.0115% (0.20   1.0  1.00   0.02   0.41) =   0.001%
          HB3   LYS+  74 - QD2   LEU   98  11.58 +/- 2.12   0.446% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD1   LEU   80  15.33 +/- 8.71   0.807% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD2   LEU   98  12.51 +/- 4.43   0.509% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  14.74 +/- 5.32   0.231% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  13.03 +/- 4.19   0.359% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  11.90 +/- 2.71   0.449% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   9.74 +/- 4.06   1.498% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   9.75 +/- 2.66   0.764% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.56 +/- 2.77   0.441% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.51 +/- 2.93   0.172% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  15.03 +/- 2.79   0.264% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  14.18 +/- 1.49   0.125% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.46 +/- 1.73   0.266% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  12.85 +/- 3.73   0.449% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  18.35 +/- 5.34   0.128% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.92 +/- 2.91   0.227% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  15.98 +/- 6.78   0.201% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  14.78 +/- 2.01   0.122% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  21.23 +/- 2.84   0.039% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  15.92 +/- 3.66   0.171% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  14.59 +/- 2.61   0.149% *  0.0066% (0.11   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 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 2.58, residual support = 75.5:
    * O T QD1   LEU   98 - QD2   LEU   98   2.05 +/- 0.06  82.801% * 90.1402% (1.00  10.0 10.00   2.59  75.93) =  99.363%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.78 +/- 0.97   5.166% *  9.1023% (0.31   1.0 10.00   0.65  10.11) =   0.626%  kept
        T QD1   LEU   98 - QD1   LEU   80  10.84 +/- 3.61   1.155% *  0.5167% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QG2   ILE   19 - QD1   LEU   80  12.43 +/- 7.38   3.254% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - QD1   LEU   80  14.69 +/- 3.25   0.370% *  0.1595% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD2   LEU   98  11.47 +/- 3.46   1.237% *  0.0338% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD1   LEU   80  12.86 +/- 7.54   3.899% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD2   LEU   98  11.00 +/- 3.53   2.117% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.44, residual support = 174.7:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.42 +/- 0.48  72.892% * 98.3792% (1.00  10.0 10.00   6.44 174.90) =  99.884%  kept
          QG2   THR   39 - HA    LYS+  99   7.16 +/- 1.39  11.849% *  0.4393% (0.65   1.0  1.00   0.14   0.02) =   0.073%
        T HG3   LYS+  38 - HA    LYS+  99  10.60 +/- 2.37   5.915% *  0.3692% (0.38   1.0 10.00   0.02   0.02) =   0.030%
          HG    LEU   71 - HA    LYS+  99  10.47 +/- 1.93   4.528% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.006%
        T HG12  ILE   89 - HA    LYS+  99  18.52 +/- 2.69   0.582% *  0.4044% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HA    LYS+  99  15.75 +/- 3.62   1.436% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    LYS+  99  16.92 +/- 2.49   0.818% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  99  19.04 +/- 1.77   0.522% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.75 +/- 2.73   1.208% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  24.10 +/- 2.34   0.251% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.715, support = 5.93, residual support = 174.9:
    *   T QD    LYS+  99 - HA    LYS+  99   3.67 +/- 0.71  29.279% * 69.7607% (1.00   1.0 10.00   5.82 174.90) =  51.630%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.46 +/- 0.24  66.694% * 28.6795% (0.41  10.0 10.00   6.06 174.90) =  48.350%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.34 +/- 0.93   0.786% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.014%
        T QG1   ILE   56 - HA    LYS+  99  17.40 +/- 2.48   0.276% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  123 - HA    LYS+  99  20.67 +/- 5.81   0.284% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+  99   8.58 +/- 0.91   1.872% *  0.0155% (0.22   1.0  1.00   0.02   1.66) =   0.001%
          HB2   LEU   73 - HA    LYS+  99  14.52 +/- 2.22   0.438% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+  99  21.61 +/- 2.29   0.137% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.45 +/- 2.13   0.083% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.39 +/- 2.47   0.150% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.985, support = 7.0, residual support = 171.9:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.91 +/- 0.45  59.338% * 94.9942% (1.00  10.0 10.00   7.07 174.90) =  98.060%  kept
          HG    LEU   98 - HA    LYS+  99   4.78 +/- 1.43  30.327% *  3.6031% (0.22   1.0  1.00   3.41  18.51) =   1.901%  kept
        T HG2   LYS+  38 - HA    LYS+  99  10.09 +/- 1.75   1.817% *  0.9311% (0.98   1.0 10.00   0.02   0.02) =   0.029%
          HB2   LEU   31 - HA    LYS+  99  10.76 +/- 3.20   5.325% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU   63 - HA    LYS+  99  14.54 +/- 1.92   0.535% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+  99  14.44 +/- 1.21   0.538% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  17.59 +/- 1.37   0.292% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  18.96 +/- 6.26   0.660% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  19.18 +/- 4.36   0.295% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  15.62 +/- 1.77   0.446% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  24.36 +/- 2.55   0.107% *  0.0852% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.62 +/- 2.14   0.318% *  0.0147% (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 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.42, residual support = 173.7:
    *   T QE    LYS+  99 - HA    LYS+  99   3.49 +/- 0.70  75.001% * 91.7278% (1.00 10.00   5.45 174.90) =  99.306%  kept
        T QE    LYS+ 102 - HA    LYS+  99   9.01 +/- 0.82   5.617% *  7.3708% (0.69 10.00   0.23   1.66) =   0.598%  kept
        T QE    LYS+  38 - HA    LYS+  99   9.37 +/- 2.01   7.590% *  0.8226% (0.90 10.00   0.02   0.02) =   0.090%
          HB2   PHE   97 - HA    LYS+  99   8.00 +/- 0.51   8.434% *  0.0377% (0.41  1.00   0.02   0.02) =   0.005%
          HB3   TRP   27 - HA    LYS+  99  13.91 +/- 3.52   3.358% *  0.0411% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 4.34 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 = 0.998, support = 6.98, residual support = 174.4:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.90 +/- 0.21  79.506% * 98.0244% (1.00  10.0 10.00   7.00 174.90) =  99.726%  kept
          HA    LEU   40 - HB2   LYS+  99   5.82 +/- 1.05  13.503% *  1.5553% (0.25   1.0  1.00   1.27  10.79) =   0.269%  kept
          HA    ASN   35 - HB2   LYS+  99  10.79 +/- 2.12   2.458% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HB2   LYS+  99  18.88 +/- 6.98   0.943% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB2   LYS+  99  21.68 +/- 3.61   0.288% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.36 +/- 4.62   1.478% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  16.87 +/- 3.15   0.658% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  22.25 +/- 2.33   0.191% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  19.49 +/- 3.90   0.485% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  21.46 +/- 5.19   0.489% *  0.0133% (0.14   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 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.42, residual support = 174.8:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.60 +/- 0.28  88.077% * 97.9377% (1.00  10.0 10.00   6.43 174.90) =  99.921%  kept
          QG2   THR   39 - HB2   LYS+  99   8.55 +/- 1.52   6.486% *  0.8861% (0.65   1.0  1.00   0.28   0.02) =   0.067%
        T HG3   LYS+  38 - HB2   LYS+  99  11.45 +/- 2.40   1.925% *  0.3676% (0.38   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   71 - HB2   LYS+  99  11.87 +/- 1.96   1.467% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - HB2   LYS+  99  19.41 +/- 2.63   0.267% *  0.4026% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  99  16.87 +/- 3.30   0.481% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  99  18.34 +/- 2.35   0.434% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.68 +/- 1.86   0.232% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.47 +/- 2.99   0.485% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  23.46 +/- 2.46   0.146% *  0.0334% (0.34   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 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.675, support = 5.2, residual support = 174.9:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  73.513% * 29.0322% (0.41  10.0   4.79 174.90) =  55.182%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.69 +/- 0.40  24.545% * 70.6187% (1.00  10.0   5.69 174.90) =  44.816%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.87 +/- 0.81   0.331% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   7.98 +/- 1.50   1.129% *  0.0157% (0.22   1.0   0.02   1.66) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  16.20 +/- 2.25   0.111% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.18 +/- 2.82   0.110% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  19.18 +/- 5.99   0.122% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  21.98 +/- 2.08   0.049% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.78 +/- 2.48   0.059% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.77 +/- 2.21   0.032% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 7.03, residual support = 174.1:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.81 +/- 0.25  80.305% * 96.1359% (1.00  10.0   7.05 174.90) =  99.508%  kept
          HG    LEU   98 - HB2   LYS+  99   5.95 +/- 1.03  11.424% *  3.2927% (0.22   1.0   3.08  18.51) =   0.485%  kept
          HB2   LEU   31 - HB2   LYS+  99  12.41 +/- 3.40   2.576% *  0.0803% (0.84   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HB2   LYS+  99  11.17 +/- 1.70   1.779% *  0.0942% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HB2   LYS+  99  14.66 +/- 1.90   0.744% *  0.0544% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  99  17.50 +/- 6.47   1.042% *  0.0297% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.24 +/- 1.31   0.550% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  18.26 +/- 1.45   0.334% *  0.0698% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  20.92 +/- 4.01   0.287% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  16.58 +/- 1.63   0.468% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  23.70 +/- 2.73   0.168% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  18.74 +/- 1.99   0.322% *  0.0148% (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 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.22, residual support = 174.7:
    *     QE    LYS+  99 - HB2   LYS+  99   3.42 +/- 0.66  70.592% * 99.0737% (1.00   5.23 174.90) =  99.906%  kept
          QE    LYS+ 102 - HB2   LYS+  99   8.37 +/- 1.46  10.311% *  0.2604% (0.69   0.02   1.66) =   0.038%
          HB2   PHE   97 - HB2   LYS+  99   6.97 +/- 0.94  10.612% *  0.1559% (0.41   0.02   0.02) =   0.024%
          QE    LYS+  38 - HB2   LYS+  99  10.09 +/- 2.05   4.635% *  0.3400% (0.90   0.02   0.02) =   0.023%
          HB3   TRP   27 - HB2   LYS+  99  15.33 +/- 4.66   3.850% *  0.1700% (0.45   0.02   0.02) =   0.009%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 6.44, residual support = 174.7:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.42 +/- 0.48  44.086% * 97.6166% (1.00  10.0 10.00   6.44 174.90) =  99.872%  kept
          HA    LEU   40 - HG3   LYS+  99   6.09 +/- 1.41  11.806% *  0.3235% (0.25   1.0  1.00   0.27  10.79) =   0.089%
          HA    ASN   35 - HG3   LYS+  99   9.93 +/- 2.70   5.970% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.013%
        T HA    LYS+  99 - HG3   LYS+  38  10.60 +/- 2.37   3.616% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.009%
        T HA    ILE   56 - HG3   LYS+  99  23.10 +/- 3.57   0.240% *  0.9234% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          HA    ASN   35 - HG3   LYS+  38   5.10 +/- 1.52  21.176% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  99 - HG12  ILE   89  18.52 +/- 2.69   0.350% *  0.3959% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HG3   LYS+  99  19.61 +/- 7.54   0.973% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HG3   LYS+  99  18.16 +/- 4.90   1.925% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG3   LYS+  99  23.89 +/- 2.51   0.155% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  18.17 +/- 3.03   0.486% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  19.38 +/- 2.60   0.303% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  28.11 +/- 2.91   0.098% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  19.92 +/- 2.23   0.284% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.62 +/- 0.84   3.454% *  0.0025% (0.03   1.0  1.00   0.02   0.49) =   0.000%
          HA    SER   13 - HG3   LYS+  99  21.10 +/- 5.37   0.546% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  23.88 +/- 2.81   0.161% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  20.61 +/- 3.81   0.399% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  26.72 +/- 2.45   0.111% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  24.58 +/- 8.06   0.384% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  18.84 +/- 1.96   0.338% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  19.16 +/- 2.45   0.310% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  20.51 +/- 3.37   0.390% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  26.61 +/- 5.67   0.295% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  16.51 +/- 4.99   0.909% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  18.38 +/- 5.05   0.713% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  29.95 +/- 2.99   0.075% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.49 +/- 4.32   0.112% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  23.04 +/- 2.64   0.173% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  24.68 +/- 3.12   0.162% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.09 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 = 0.913, support = 4.74, residual support = 179.1:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.90 +/- 0.50  38.544% * 89.0505% (1.00  10.0 10.00   4.79 174.90) =  90.407%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.76 +/- 0.46  43.252% *  8.3338% (0.09  10.0 10.00   4.38 220.97) =   9.494%  kept
        T QE    LYS+  38 - HG3   LYS+  99   9.17 +/- 2.12   2.022% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.043%
        T QE    LYS+ 102 - HG3   LYS+  99   9.29 +/- 1.67   2.067% *  0.6117% (0.69   1.0 10.00   0.02   1.66) =   0.033%
        T QE    LYS+  99 - HG3   LYS+  38   8.14 +/- 2.04   3.520% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.009%
          HB3   TRP   27 - HG3   LYS+  99  16.00 +/- 4.88   6.326% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HG3   LYS+  38  15.81 +/- 3.86   1.140% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG12  ILE   89  16.72 +/- 3.41   0.236% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HG3   LYS+  99   9.06 +/- 0.89   1.427% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG12  ILE   89  19.14 +/- 2.38   0.142% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG12  ILE   89  22.98 +/- 3.05   0.102% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG12  ILE   89  16.47 +/- 4.36   0.458% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  15.08 +/- 2.51   0.326% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.83 +/- 2.19   0.244% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.35 +/- 1.99   0.193% *  0.0042% (0.05   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 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.997, support = 5.8, residual support = 174.4:
    *   T HA    LYS+  99 - QD    LYS+  99   3.67 +/- 0.71  46.600% * 95.3501% (1.00 10.00   5.82 174.90) =  99.685%  kept
          HA    LEU   40 - QD    LYS+  99   5.13 +/- 1.38  22.388% *  0.3159% (0.25  1.00   0.27  10.79) =   0.159%  kept
        T HA    LEU  123 - QD    LYS+  99  16.57 +/- 6.79   3.092% *  0.8271% (0.87 10.00   0.02   0.02) =   0.057%
        T HA    LYS+  99 - QD    LYS+ 106  11.34 +/- 0.93   1.932% *  0.7677% (0.81 10.00   0.02   0.02) =   0.033%
          HA    ASN   35 - QD    LYS+  99   8.78 +/- 2.61  10.105% *  0.0920% (0.97  1.00   0.02   0.02) =   0.021%
        T HA    ILE   56 - QD    LYS+ 106  16.26 +/- 2.52   0.988% *  0.7262% (0.76 10.00   0.02   0.02) =   0.016%
        T HA    ILE   56 - QD    LYS+  99  19.91 +/- 3.58   0.538% *  0.9020% (0.95 10.00   0.02   0.02) =   0.011%
        T HA    LEU  123 - QD    LYS+ 106  18.38 +/- 3.40   0.690% *  0.6659% (0.70 10.00   0.02   0.02) =   0.010%
          HA    ASP- 113 - QD    LYS+ 106  14.86 +/- 1.40   0.973% *  0.0641% (0.67  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+ 106  17.84 +/- 2.27   0.593% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+ 106  14.09 +/- 2.55   1.928% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD    LYS+  99  15.73 +/- 4.37   2.712% *  0.0129% (0.14  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+  99  15.43 +/- 3.02   1.338% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD    LYS+ 106  12.93 +/- 1.46   1.619% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  20.64 +/- 2.06   0.342% *  0.0796% (0.84  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QD    LYS+  99  17.53 +/- 3.89   1.260% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  18.30 +/- 4.80   1.118% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  16.72 +/- 3.12   1.093% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.76 +/- 4.05   0.436% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  24.91 +/- 3.99   0.255% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.85, residual support = 174.7:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.40 +/- 0.15  73.790% * 94.9990% (1.00  10.0  1.00   5.85 174.90) =  99.865%  kept
          HG    LEU   98 - QD    LYS+  99   7.23 +/- 0.97   3.140% *  2.5041% (0.22   1.0  1.00   2.37  18.51) =   0.112%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  13.54 +/- 2.26   0.622% *  0.6860% (0.72   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LEU   31 - QD    LYS+  99  11.19 +/- 3.80   4.420% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  38 - QD    LYS+  99   8.88 +/- 1.81   2.142% *  0.0931% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QD    LYS+ 106  10.05 +/- 2.11   1.800% *  0.0555% (0.58   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  99  22.38 +/- 2.30   0.101% *  0.8520% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   8.08 +/- 1.68   4.512% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  99  15.25 +/- 6.40   1.599% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+ 106  10.81 +/- 2.30   1.326% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+ 106  12.89 +/- 0.85   0.513% *  0.0765% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+ 106  10.54 +/- 2.03   1.497% *  0.0261% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  99  13.32 +/- 2.14   0.581% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  13.89 +/- 2.40   0.569% *  0.0433% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.77 +/- 2.94   0.341% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  15.66 +/- 3.60   0.414% *  0.0525% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  14.79 +/- 1.50   0.351% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.78 +/- 2.09   0.179% *  0.0750% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  17.99 +/- 1.33   0.189% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  12.06 +/- 2.27   0.996% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.06 +/- 3.55   0.158% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  16.04 +/- 1.64   0.276% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  17.14 +/- 3.12   0.299% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  18.16 +/- 1.75   0.187% *  0.0147% (0.15   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 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.27, residual support = 174.8:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.30 +/- 0.14  78.127% * 94.6730% (1.00  10.0 10.00   5.27 174.90) =  99.948%  kept
        T HG3   LYS+  38 - QD    LYS+  99   9.02 +/- 2.15   2.648% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.013%
          QG2   THR   39 - QD    LYS+  99   7.16 +/- 1.67  10.014% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.008%
        T HG12  ILE   89 - QD    LYS+ 106  10.34 +/- 2.98   1.522% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  99 - QD    LYS+ 106  12.72 +/- 0.74   0.487% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  74 - QD    LYS+  99  17.16 +/- 2.59   0.361% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  74 - QD    LYS+ 106  15.46 +/- 1.88   0.317% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 111 - QD    LYS+ 106  13.14 +/- 1.89   0.566% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   ILE   56 - QD    LYS+  99  16.22 +/- 3.02   0.693% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QD    LYS+  99  10.36 +/- 1.79   1.397% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   ILE   56 - QD    LYS+ 106  12.52 +/- 1.90   0.698% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QD    LYS+  99  19.20 +/- 2.36   0.165% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD    LYS+ 106  11.17 +/- 2.41   1.182% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  19.26 +/- 2.46   0.177% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  99  14.89 +/- 3.34   0.488% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  22.24 +/- 1.97   0.098% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.06 +/- 2.47   0.294% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.03 +/- 1.69   0.431% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  18.50 +/- 2.57   0.178% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.02 +/- 1.76   0.157% *  0.0612% (0.65   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 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 174.6:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  83.218% * 93.9732% (1.00  10.0 10.00   4.47 174.90) =  99.809%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.43 +/- 1.00   3.928% *  2.4689% (0.33   1.0  1.00   1.59  10.88) =   0.124%  kept
        T QE    LYS+  38 - QD    LYS+  99   7.90 +/- 1.98   3.538% *  0.8428% (0.90   1.0 10.00   0.02   0.02) =   0.038%
        T QE    LYS+ 102 - QD    LYS+  99   9.14 +/- 1.41   1.237% *  0.6455% (0.69   1.0 10.00   0.02   1.66) =   0.010%
        T QE    LYS+ 102 - QD    LYS+ 106   8.47 +/- 1.29   1.474% *  0.5197% (0.55   1.0 10.00   0.02   0.02) =   0.010%
        T QE    LYS+  99 - QD    LYS+ 106  12.11 +/- 0.83   0.447% *  0.7566% (0.81   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  38 - QD    LYS+ 106  16.91 +/- 2.52   0.248% *  0.6786% (0.72   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    LYS+  99  14.22 +/- 4.44   3.015% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.77 +/- 1.15   2.596% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+ 106  15.39 +/- 2.89   0.299% *  0.0339% (0.36   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 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.983, support = 5.35, residual support = 170.7:
    *   T HA    LYS+  99 - QE    LYS+  99   3.49 +/- 0.70  31.450% * 89.5904% (1.00 10.00   5.45 174.90) =  97.508%  kept
          HA    LEU   40 - QE    LYS+  99   4.05 +/- 1.17  26.118% *  2.0150% (0.25  1.00   1.80  10.79) =   1.821%  kept
        T HA    LYS+  99 - QE    LYS+ 102   9.01 +/- 0.82   2.268% *  7.1474% (0.68 10.00   0.23   1.66) =   0.561%  kept
          HA    LEU   40 - QE    LYS+  38   7.55 +/- 1.44   5.796% *  0.2406% (0.07  1.00   0.80   0.49) =   0.048%
        T HA    LYS+  99 - QE    LYS+  38   9.37 +/- 2.01   2.798% *  0.2417% (0.27 10.00   0.02   0.02) =   0.023%
          HA    ASN   35 - QE    LYS+  99   8.13 +/- 2.21   4.961% *  0.0865% (0.97  1.00   0.02   0.02) =   0.015%
          HA    ASN   35 - QE    LYS+  38   5.29 +/- 1.72  14.187% *  0.0233% (0.26  1.00   0.02   0.02) =   0.011%
          HA    LEU  123 - QE    LYS+  99  17.01 +/- 6.64   1.340% *  0.0777% (0.87  1.00   0.02   0.02) =   0.004%
          HA    ASN   35 - QE    LYS+ 102  14.71 +/- 3.59   1.093% *  0.0590% (0.66  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - QE    LYS+  99  19.92 +/- 3.46   0.267% *  0.0847% (0.95  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QE    LYS+  99  15.14 +/- 4.50   1.771% *  0.0121% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+  38  21.48 +/- 8.10   0.809% *  0.0210% (0.23  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+ 102  22.04 +/- 5.72   0.308% *  0.0530% (0.59  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QE    LYS+ 102  12.15 +/- 1.75   0.976% *  0.0152% (0.17  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  21.02 +/- 2.23   0.164% *  0.0748% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  15.43 +/- 2.84   0.535% *  0.0223% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.54 +/- 3.01   0.163% *  0.0578% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.48 +/- 2.02   0.139% *  0.0510% (0.57  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  17.43 +/- 3.60   0.469% *  0.0138% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  17.68 +/- 4.49   0.433% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  14.48 +/- 4.73   1.277% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  20.21 +/- 2.54   0.264% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.09 +/- 5.74   0.376% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  16.08 +/- 5.10   0.936% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  24.56 +/- 3.10   0.121% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.17 +/- 5.40   0.246% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  26.19 +/- 3.15   0.092% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  22.84 +/- 3.21   0.185% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  20.09 +/- 3.08   0.236% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  21.59 +/- 3.33   0.220% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.547, support = 4.66, residual support = 174.8:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  62.717% * 59.3800% (0.41  10.0 10.00   4.47 174.90) =  76.898%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.02 +/- 0.70  29.166% * 38.3049% (1.00   1.0  1.00   5.30 174.90) =  23.068%  kept
        T QD    LYS+  99 - QE    LYS+  38   7.90 +/- 1.98   2.627% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+ 106 - QE    LYS+ 102   8.47 +/- 1.29   1.099% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  99 - QE    LYS+ 102   9.14 +/- 1.41   0.937% *  0.4050% (0.28   1.0 10.00   0.02   1.66) =   0.008%
        T QD    LYS+ 106 - QE    LYS+  99  12.11 +/- 0.83   0.340% *  0.5421% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  99 - QE    LYS+ 102   9.20 +/- 1.27   0.933% *  0.0985% (0.68   1.0  1.00   0.02   1.66) =   0.002%
          QG1   ILE   56 - QE    LYS+  99  15.97 +/- 2.89   0.223% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    LYS+  38   9.87 +/- 1.93   0.772% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  38  16.91 +/- 2.52   0.167% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QE    LYS+ 102  17.57 +/- 3.75   0.179% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  19.45 +/- 2.15   0.090% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.85 +/- 2.01   0.103% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.49 +/- 1.89   0.225% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  20.24 +/- 2.74   0.086% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  18.53 +/- 2.85   0.121% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  23.16 +/- 3.09   0.056% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.40 +/- 2.39   0.160% *  0.0087% (0.06   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.899, support = 4.71, residual support = 177.0:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.90 +/- 0.50  31.697% * 83.6761% (1.00  10.0 10.00   4.79 174.90) =  88.415%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.76 +/- 0.46  35.357% *  8.4724% (0.10  10.0 10.00   4.38 220.97) =   9.986%  kept
          QG2   THR   39 - QE    LYS+  38   6.17 +/- 1.36  11.218% *  2.5379% (0.17   1.0  1.00   3.48  28.99) =   0.949%  kept
          QG2   THR   39 - QE    LYS+  99   6.12 +/- 1.34   6.373% *  2.6036% (0.65   1.0  1.00   0.96   0.02) =   0.553%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   9.29 +/- 1.67   1.700% *  0.5707% (0.68   1.0 10.00   0.02   1.66) =   0.032%
        T HG3   LYS+  38 - QE    LYS+  99   8.14 +/- 2.04   2.944% *  0.3140% (0.38   1.0 10.00   0.02   0.02) =   0.031%
        T HG3   LYS+  99 - QE    LYS+  38   9.17 +/- 2.12   1.498% *  0.2257% (0.27   1.0 10.00   0.02   0.02) =   0.011%
        T HG3   LYS+  38 - QE    LYS+ 102  15.81 +/- 3.86   0.936% *  0.2142% (0.26   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   71 - QE    LYS+  99   9.29 +/- 1.80   2.122% *  0.0829% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   71 - QE    LYS+  38  10.81 +/- 2.75   2.343% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+ 102  16.72 +/- 3.41   0.191% *  0.2346% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QE    LYS+  99  19.14 +/- 2.38   0.116% *  0.3440% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QE    LYS+  99  14.54 +/- 3.21   0.366% *  0.0792% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  16.51 +/- 2.83   0.316% *  0.0835% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+ 102  12.92 +/- 1.70   0.487% *  0.0369% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 102  17.26 +/- 2.30   0.217% *  0.0566% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  22.98 +/- 3.05   0.085% *  0.0928% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.25 +/- 3.00   0.406% *  0.0186% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.45 +/- 2.40   0.185% *  0.0369% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.34 +/- 3.49   0.126% *  0.0540% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  15.38 +/- 3.27   0.310% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  18.91 +/- 1.72   0.122% *  0.0541% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.64 +/- 1.91   0.092% *  0.0569% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  18.97 +/- 2.88   0.201% *  0.0225% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.77 +/- 2.49   0.173% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  22.62 +/- 2.45   0.074% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.76 +/- 2.70   0.093% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  22.34 +/- 2.16   0.085% *  0.0146% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  20.25 +/- 2.85   0.127% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  27.64 +/- 2.44   0.039% *  0.0077% (0.09   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 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 = 75.7:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.78 +/- 0.30  78.912% * 99.1823% (1.00  10.0 10.00   4.26  75.73) =  99.988%  kept
        T HB2   GLU- 100 - HA    LYS+  38   8.81 +/- 3.19  10.628% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PHE   97 - HA    GLU- 100  11.49 +/- 0.69   1.237% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    GLU- 100  11.33 +/- 4.00   3.356% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  24.66 +/- 3.37   0.167% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU- 100  20.41 +/- 4.46   0.499% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.67 +/- 2.84   0.116% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   8.88 +/- 1.11   3.921% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  23.97 +/- 2.57   0.152% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  14.37 +/- 1.61   0.673% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  21.14 +/- 2.58   0.223% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.27 +/- 3.26   0.116% *  0.0059% (0.06   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 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.60 +/- 0.21  77.765% * 99.2716% (1.00  10.0 10.00   4.26  75.73) =  99.986%  kept
        T HB3   GLU- 100 - HA    LYS+  38   8.47 +/- 3.32  11.078% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - HA    GLU- 100  12.85 +/- 3.83   1.446% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    GLU- 100  13.99 +/- 4.00   1.054% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU- 100  17.40 +/- 5.90   1.876% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    GLU- 100  17.82 +/- 3.73   0.556% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  23.16 +/- 4.17   0.148% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.74 +/- 0.80   0.166% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  19.83 +/- 5.63   0.470% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  10.95 +/- 0.97   1.277% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  11.64 +/- 1.23   1.204% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  22.99 +/- 1.96   0.131% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  29.71 +/- 2.86   0.058% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  15.12 +/- 3.50   0.822% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  27.30 +/- 2.09   0.078% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.76 +/- 4.61   0.994% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.41 +/- 4.46   0.171% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  24.05 +/- 1.77   0.123% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  16.96 +/- 3.59   0.353% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.39 +/- 1.29   0.102% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  29.65 +/- 3.05   0.058% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.98 +/- 2.61   0.071% *  0.0017% (0.02   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 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.80 +/- 0.55  76.084% * 99.4988% (1.00  10.0 10.00   4.72  75.73) =  99.986%  kept
        T HG2   GLU- 100 - HA    LYS+  38   7.74 +/- 2.76  12.122% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.010%
          HB2   MET   96 - HA    GLU- 100  13.13 +/- 0.97   1.132% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLU- 100  21.77 +/- 3.32   0.778% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.71 +/- 0.87   0.787% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU- 100  13.70 +/- 2.26   1.103% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  16.48 +/- 3.93   0.905% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.06 +/- 5.22   0.586% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  25.53 +/- 2.60   0.149% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.93 +/- 3.57   0.362% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.92 +/- 2.09   1.862% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  13.76 +/- 1.37   1.397% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.55 +/- 1.66   0.472% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  16.10 +/- 1.59   0.553% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  15.38 +/- 3.43   0.958% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  22.18 +/- 2.02   0.218% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  18.82 +/- 1.77   0.435% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  27.62 +/- 2.55   0.098% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.78 +/- 0.30  87.582% * 98.6741% (1.00  10.0 10.00   4.26  75.73) =  99.968%  kept
        T HA    LYS+  38 - HB2   GLU- 100   8.81 +/- 3.19  11.779% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.030%
        T HD2   PRO   58 - HB2   GLU- 100  26.21 +/- 3.44   0.159% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   GLU- 100  20.22 +/- 4.57   0.346% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  27.25 +/- 2.96   0.134% *  0.0406% (0.41   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 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 = 75.7:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  97.479% * 99.3690% (1.00  10.0 10.00   2.00  75.73) =  99.998%  kept
          HB2   GLN   30 - HB2   GLU- 100  14.14 +/- 4.28   1.133% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HB2   GLU- 100  15.24 +/- 4.47   0.563% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HB2   GLU- 100  18.69 +/- 3.97   0.158% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  18.26 +/- 5.43   0.331% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  23.12 +/- 4.62   0.056% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.85 +/- 1.21   0.060% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  20.92 +/- 5.35   0.123% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  23.89 +/- 2.25   0.047% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  30.39 +/- 3.37   0.023% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  27.46 +/- 2.21   0.027% *  0.0276% (0.28   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 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.99 +/- 0.04  94.693% * 99.5837% (1.00  10.0 10.00   3.24  75.73) =  99.997%  kept
          HB2   ASP- 105 - HB2   GLU- 100  14.41 +/- 1.08   0.899% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  13.97 +/- 1.06   0.984% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   GLU- 100  23.27 +/- 3.23   0.440% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  17.74 +/- 4.35   0.837% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  14.75 +/- 2.13   0.976% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  18.95 +/- 4.96   0.669% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  26.38 +/- 2.62   0.166% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.29 +/- 3.98   0.336% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.60 +/- 0.21  87.113% * 99.5406% (1.00  10.0 10.00   4.26  75.73) =  99.968%  kept
        T HA    LYS+  38 - HB3   GLU- 100   8.47 +/- 3.32  12.403% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.032%
          HA    VAL   83 - HB3   GLU- 100  20.48 +/- 4.88   0.311% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  26.75 +/- 3.10   0.092% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  27.75 +/- 2.62   0.081% *  0.0409% (0.41   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 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  98.355% * 99.6840% (1.00  10.0 10.00   2.00  75.73) =  99.999%  kept
          QG    GLN   32 - HB3   GLU- 100  11.98 +/- 4.30   1.137% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU- 100  12.16 +/- 0.94   0.314% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  21.89 +/- 4.40   0.120% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.36 +/- 2.94   0.033% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  25.53 +/- 3.57   0.041% *  0.0447% (0.45   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 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 = 75.7:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.71 +/- 0.12  96.171% * 99.0882% (1.00  10.0 10.00   3.24  75.73) =  99.994%  kept
        T HB    VAL   70 - HB3   GLU- 100  15.04 +/- 2.40   0.815% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QG    GLN   17 - HB3   GLU- 100  19.00 +/- 4.98   0.488% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   GLU- 100  15.07 +/- 0.88   0.594% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU- 100  14.48 +/- 0.77   0.650% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  23.50 +/- 3.16   0.281% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.62 +/- 4.49   0.642% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  26.86 +/- 2.45   0.118% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.28 +/- 4.05   0.242% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.80 +/- 0.55  85.613% * 99.5406% (1.00  10.0 10.00   4.72  75.73) =  99.964%  kept
        T HA    LYS+  38 - HG2   GLU- 100   7.74 +/- 2.76  13.637% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.035%
          HA    VAL   83 - HG2   GLU- 100  20.89 +/- 4.69   0.427% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  25.60 +/- 3.59   0.177% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.01 +/- 2.81   0.146% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.99 +/- 0.04  89.379% * 99.6840% (1.00  10.0 10.00   3.24  75.73) =  99.995%  kept
          QG    GLN   32 - HG2   GLU- 100  11.82 +/- 3.74   8.050% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HG2   GLU- 100  11.37 +/- 0.92   1.729% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - HG2   GLU- 100  21.93 +/- 4.13   0.434% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.39 +/- 2.94   0.164% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  24.25 +/- 4.08   0.244% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.71 +/- 0.12  89.861% * 98.4783% (1.00  10.0 10.00   3.24  75.73) =  99.982%  kept
        T HB3   PRO   68 - HG2   GLU- 100  17.33 +/- 4.08   0.893% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLN   30 - HG2   GLU- 100  13.52 +/- 4.36   3.762% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T QB    GLU-  15 - HG2   GLU- 100  17.26 +/- 5.05   1.320% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HG2   GLU- 100  14.52 +/- 4.35   3.028% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLN   17 - HG2   GLU- 100  19.86 +/- 4.75   0.410% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   GLU- 100  22.60 +/- 4.46   0.211% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.32 +/- 0.91   0.192% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  23.86 +/- 1.84   0.150% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  29.98 +/- 3.31   0.081% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.49 +/- 2.16   0.093% *  0.0274% (0.28   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 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  99.922% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  19.84 +/- 2.47   0.078% *  0.0375% (0.38   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 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  98.352% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.999%  kept
          HA    ALA   34 - HA2   GLY  101  11.36 +/- 3.25   0.898% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HA2   GLY  101  14.99 +/- 3.99   0.366% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.27 +/- 4.55   0.161% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.51 +/- 2.44   0.060% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  24.33 +/- 2.16   0.040% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  26.21 +/- 7.47   0.097% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  28.51 +/- 2.72   0.026% *  0.0277% (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 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 = 0.991, support = 6.31, residual support = 158.0:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.42 +/- 0.11  84.270% * 90.1279% (1.00  10.0 10.00   6.31 159.83) =  98.643%  kept
          HG12  ILE  103 - HA    LYS+ 102   5.08 +/- 0.69  11.423% *  9.0413% (0.34   1.0  1.00   5.88  23.56) =   1.341%  kept
        T HB    VAL   41 - HA    LYS+ 102   9.47 +/- 2.15   2.519% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.014%
          HB2   LEU   71 - HA    LYS+ 102  15.83 +/- 2.42   0.376% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  21.66 +/- 2.94   0.382% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  19.94 +/- 2.04   0.171% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  22.98 +/- 5.79   0.331% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  19.25 +/- 2.76   0.212% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.76 +/- 4.50   0.182% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  23.52 +/- 4.76   0.135% *  0.0139% (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 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.8:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   2.92 +/- 0.52  91.031% * 99.3298% (1.00  10.0 10.00   5.75 159.83) =  99.994%  kept
          HG    LEU   40 - HA    LYS+ 102  11.90 +/- 1.35   1.848% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - HA    LYS+ 102  16.35 +/- 3.24   0.986% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 102  18.37 +/- 3.63   1.142% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HA    LYS+ 102  19.64 +/- 3.29   0.444% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.70 +/- 2.57   0.447% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.97 +/- 2.99   0.515% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  20.06 +/- 5.62   0.990% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  18.55 +/- 2.65   0.440% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  18.48 +/- 3.87   0.705% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  18.98 +/- 1.42   0.524% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.93 +/- 3.92   0.531% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  20.56 +/- 2.69   0.399% *  0.0248% (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 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 5.01, residual support = 158.3:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.09 +/- 0.74  53.116% * 94.7418% (1.00  10.0 10.00   5.05 159.83) =  99.004%  kept
          QB    LEU   98 - HA    LYS+ 102   4.68 +/- 0.77  22.518% *  2.0641% (0.34   1.0  1.00   1.28   2.21) =   0.914%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.33 +/- 0.92   2.801% *  0.8962% (0.95   1.0 10.00   0.02   0.02) =   0.049%
        T HG3   LYS+  33 - HA    LYS+ 102  15.81 +/- 3.72   0.753% *  0.8962% (0.95   1.0 10.00   0.02   0.02) =   0.013%
          HG    LEU   98 - HA    LYS+ 102   5.73 +/- 1.06  12.709% *  0.0263% (0.28   1.0  1.00   0.02   2.21) =   0.007%
          QB    ALA   12 - HA    LYS+ 102  22.63 +/- 5.13   4.500% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - HA    LYS+ 102  22.65 +/- 2.41   0.187% *  0.9287% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    LYS+ 102  12.69 +/- 1.54   0.992% *  0.0929% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+ 102  17.54 +/- 3.12   0.456% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 102  16.89 +/- 2.89   0.532% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.15 +/- 2.32   0.469% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  24.34 +/- 1.91   0.141% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  21.34 +/- 5.88   0.470% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.88 +/- 2.60   0.358% *  0.0146% (0.15   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 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.04 +/- 0.77  82.100% * 98.2489% (1.00 10.00   5.05 159.83) =  99.987%  kept
        T QD    LYS+  65 - HA    LYS+ 102  21.23 +/- 2.30   0.429% *  0.5562% (0.57 10.00   0.02   0.02) =   0.003%
          QD    LYS+  38 - HA    LYS+ 102  13.15 +/- 3.42   2.295% *  0.0787% (0.80  1.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HA    LYS+ 102  24.21 +/- 2.15   0.249% *  0.6749% (0.69 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HA    LYS+ 102   8.39 +/- 0.86   6.215% *  0.0219% (0.22  1.00   0.02   1.66) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 102   8.92 +/- 1.00   4.534% *  0.0245% (0.25  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 102  17.56 +/- 4.98   1.028% *  0.0636% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 102  18.36 +/- 6.48   1.067% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 102  22.16 +/- 3.07   0.412% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  17.87 +/- 3.01   0.935% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  23.63 +/- 5.17   0.407% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.32 +/- 2.38   0.328% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 159.7:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.37 +/- 0.48  88.974% * 98.4155% (1.00 10.00   5.05 159.83) =  99.906%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.94 +/- 1.10   7.757% *  0.6760% (0.69 10.00   0.02   1.66) =   0.060%
        T QE    LYS+  38 - HA    LYS+ 102  13.54 +/- 3.35   3.269% *  0.9085% (0.92 10.00   0.02   0.02) =   0.034%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.8:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.42 +/- 0.11  94.158% * 99.1785% (1.00  10.0 10.00   6.31 159.83) =  99.985%  kept
        T HA    LYS+ 102 - HB    VAL   41   9.47 +/- 2.15   2.821% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.013%
          HA    CYS   21 - QB    LYS+ 102  19.78 +/- 3.87   0.339% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  14.79 +/- 3.25   0.632% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  26.33 +/- 3.66   0.148% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.25 +/- 0.77   0.193% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.72 +/- 3.48   0.197% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  14.72 +/- 4.32   0.805% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.89 +/- 3.20   0.270% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.64 +/- 1.54   0.164% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  23.74 +/- 2.37   0.119% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.02 +/- 2.31   0.154% *  0.0200% (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 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 0.995, support = 5.3, residual support = 158.8:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.39 +/- 0.14  72.582% * 89.4679% (1.00  10.0 10.00   5.31 159.83) =  99.303%  kept
          HG    LEU   40 - HB    VAL   41   5.92 +/- 0.66   5.564% *  6.7106% (0.36   1.0  1.00   4.17  21.35) =   0.571%  kept
          HG    LEU   73 - HB    VAL   41   8.81 +/- 2.96   8.149% *  0.8023% (0.44   1.0  1.00   0.41   0.02) =   0.100%
        T HG2   LYS+ 102 - HB    VAL   41  11.21 +/- 2.43   1.317% *  0.4020% (0.45   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU   67 - HB    VAL   41  11.26 +/- 2.34   1.103% *  0.2761% (0.31   1.0 10.00   0.02   0.02) =   0.005%
        T QG    LYS+  66 - QB    LYS+ 102  17.91 +/- 3.18   0.270% *  0.7761% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   67 - QB    LYS+ 102  16.67 +/- 2.93   0.337% *  0.6146% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T QG    LYS+  66 - HB    VAL   41  13.95 +/- 2.17   0.499% *  0.3487% (0.39   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   40 - QB    LYS+ 102  11.13 +/- 1.43   0.872% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+ 102  15.97 +/- 2.74   0.365% *  0.0877% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  13.16 +/- 5.11   3.081% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  11.43 +/- 2.41   1.004% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  13.00 +/- 2.94   1.131% *  0.0212% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  16.96 +/- 3.44   0.441% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  17.22 +/- 2.65   0.274% *  0.0615% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.98 +/- 2.35   0.202% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  15.47 +/- 4.96   0.654% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  16.69 +/- 2.56   0.268% *  0.0322% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  16.09 +/- 3.70   0.370% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  19.74 +/- 4.84   0.226% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.41 +/- 1.19   0.200% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.49 +/- 3.68   0.203% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  18.73 +/- 2.35   0.174% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  17.28 +/- 3.40   0.281% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.91 +/- 1.72   0.198% *  0.0124% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  17.52 +/- 2.82   0.232% *  0.0100% (0.11   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 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.915, support = 4.62, residual support = 144.9:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.33 +/- 0.17  44.866% * 58.8071% (1.00  10.0 10.00   4.75 159.83) =  88.833%  kept
        T QB    LEU   98 - HB    VAL   41   4.24 +/- 1.77  24.416% *  9.0134% (0.15   1.0 10.00   3.51  26.26) =   7.409%  kept
        T HB    VAL   42 - HB    VAL   41   5.66 +/- 0.62   3.806% * 25.9005% (0.44   1.0 10.00   4.14  28.76) =   3.319%  kept
          QB    LEU   98 - QB    LYS+ 102   5.47 +/- 0.70   4.137% *  1.4199% (0.34   1.0  1.00   1.42   2.21) =   0.198%  kept
          HG    LEU   98 - HB    VAL   41   5.38 +/- 1.66  11.304% *  0.4756% (0.12   1.0  1.00   1.29  26.26) =   0.181%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   8.91 +/- 0.68   0.861% *  0.5563% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+  33 - QB    LYS+ 102  14.80 +/- 3.73   0.460% *  0.5563% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  33 - HB    VAL   41   9.96 +/- 2.27   1.018% *  0.2500% (0.43   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   42 - QB    LYS+ 102  12.23 +/- 1.37   0.401% *  0.5764% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 102 - HB    VAL   41  11.69 +/- 2.36   0.549% *  0.2642% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HB    VAL   41  11.00 +/- 1.82   0.536% *  0.2500% (0.43   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   98 - QB    LYS+ 102   6.43 +/- 0.96   3.386% *  0.0164% (0.28   1.0  1.00   0.02   2.21) =   0.002%
        T HG3   LYS+  65 - HB    VAL   41  15.62 +/- 2.06   0.203% *  0.2590% (0.44   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QB    LYS+ 102  20.85 +/- 2.17   0.071% *  0.5764% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.11 +/- 1.75   0.058% *  0.5829% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HB    VAL   41  10.01 +/- 2.49   1.291% *  0.0264% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QB    LYS+ 102  20.59 +/- 4.70   0.658% *  0.0357% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - HB    VAL   41  21.36 +/- 2.21   0.068% *  0.2619% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 102  17.11 +/- 2.66   0.154% *  0.0587% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  16.57 +/- 2.50   0.153% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.06 +/- 1.88   0.111% *  0.0242% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.81 +/- 3.09   0.153% *  0.0160% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  18.31 +/- 5.59   0.199% *  0.0116% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  14.73 +/- 1.83   0.215% *  0.0099% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.33 +/- 1.96   0.195% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.24 +/- 2.09   0.431% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  19.98 +/- 5.35   0.198% *  0.0052% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.14 +/- 2.27   0.102% *  0.0091% (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 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.8:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.36 +/- 0.24  77.102% * 94.6216% (1.00  10.0 10.00   4.75 159.83) =  99.955%  kept
        T QD    LYS+  38 - QB    LYS+ 102  11.71 +/- 3.16   1.501% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.016%
        T QD    LYS+ 102 - HB    VAL   41  11.07 +/- 2.25   1.522% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  38 - HB    VAL   41  10.60 +/- 1.38   1.203% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   PRO   93 - QB    LYS+ 102  20.89 +/- 2.53   0.291% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   PRO   93 - HB    VAL   41  18.46 +/- 2.46   0.274% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QB    LYS+ 102   6.95 +/- 1.27   4.267% *  0.0211% (0.22   1.0  1.00   0.02   1.66) =   0.001%
        T QD    LYS+  65 - HB    VAL   41  15.11 +/- 1.97   0.368% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QB    LYS+ 102  19.53 +/- 2.06   0.162% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HB    VAL   41  21.16 +/- 5.03   0.197% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.96 +/- 1.98   0.108% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   8.54 +/- 0.89   2.024% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HB    VAL   41   7.88 +/- 1.96   4.543% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+ 102  16.01 +/- 6.07   0.608% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.99 +/- 2.30   0.097% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41  10.30 +/- 2.42   1.595% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  17.54 +/- 4.31   0.310% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  14.37 +/- 4.34   0.660% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  10.93 +/- 2.05   1.566% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  20.59 +/- 4.87   0.186% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  16.67 +/- 5.19   0.580% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.19 +/- 2.00   0.189% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.59 +/- 2.66   0.411% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  17.39 +/- 2.58   0.238% *  0.0389% (0.41   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 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.985, support = 4.67, residual support = 156.5:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.42 +/- 0.43  81.336% * 83.7407% (1.00 10.00   4.75 159.83) =  97.905%  kept
        T QE    LYS+  99 - HB    VAL   41   7.35 +/- 1.73   9.942% * 14.1875% (0.31 10.00   1.10   0.02) =   2.028%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.64 +/- 1.18   4.615% *  0.5752% (0.69 10.00   0.02   1.66) =   0.038%
        T QE    LYS+  38 - QB    LYS+ 102  12.08 +/- 3.15   1.399% *  0.7730% (0.92 10.00   0.02   0.02) =   0.016%
        T QE    LYS+ 102 - HB    VAL   41  11.30 +/- 2.07   1.555% *  0.3763% (0.45 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  38 - HB    VAL   41  10.83 +/- 1.70   1.153% *  0.3473% (0.41 10.00   0.02   0.02) =   0.006%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.8:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   2.92 +/- 0.52  98.564% * 99.7392% (1.00  10.0 10.00   5.75 159.83) =  99.999%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.51 +/- 4.25   0.514% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.93 +/- 1.27   0.269% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  30.41 +/- 4.10   0.133% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  22.78 +/- 3.32   0.365% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.76 +/- 3.96   0.156% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 159.4:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.39 +/- 0.14  93.158% * 91.7095% (1.00  10.0 10.00   5.31 159.83) =  99.685%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.60 +/- 0.97   3.786% *  6.8782% (0.34   1.0  1.00   4.40  23.56) =   0.304%  kept
        T HB    VAL   41 - HG2   LYS+ 102  11.21 +/- 2.43   1.692% *  0.4464% (0.49   1.0 10.00   0.02   0.02) =   0.009%
        T QB    LYS+  66 - HG2   LYS+ 102  20.62 +/- 2.95   0.194% *  0.6300% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+ 102  17.24 +/- 2.73   0.315% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.91 +/- 3.10   0.236% *  0.0847% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  21.49 +/- 2.09   0.151% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  24.11 +/- 5.68   0.195% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.82 +/- 4.70   0.141% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  24.62 +/- 5.36   0.132% *  0.0142% (0.15   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 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  93.912% * 96.7067% (1.00  10.0 10.00   4.42 159.83) =  99.990%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.38 +/- 1.49   0.439% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - HG2   LYS+ 102  16.42 +/- 4.49   0.273% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   12 - HG2   LYS+ 102  23.13 +/- 5.65   1.250% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG2   LYS+ 102   6.74 +/- 0.93   1.990% *  0.0330% (0.34   1.0  1.00   0.02   2.21) =   0.001%
          HG    LEU   98 - HG2   LYS+ 102   7.83 +/- 1.36   1.425% *  0.0269% (0.28   1.0  1.00   0.02   2.21) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  24.33 +/- 2.70   0.040% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.55 +/- 1.69   0.193% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.60 +/- 3.03   0.089% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.85 +/- 3.13   0.095% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.21 +/- 2.31   0.030% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.41 +/- 2.54   0.067% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  21.79 +/- 6.57   0.134% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  21.95 +/- 2.68   0.062% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.21 +/- 0.08  93.855% * 98.2489% (1.00  10.0 10.00   4.42 159.83) =  99.996%  kept
          QD    LYS+  38 - HG2   LYS+ 102  13.03 +/- 3.73   1.172% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 102  22.75 +/- 2.52   0.107% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG2   LYS+ 102   8.51 +/- 1.56   2.603% *  0.0219% (0.22   1.0  1.00   0.02   1.66) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  26.02 +/- 2.79   0.068% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  19.50 +/- 6.90   0.451% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  10.71 +/- 1.12   0.922% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.42 +/- 3.26   0.174% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  19.89 +/- 5.21   0.221% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  24.61 +/- 5.82   0.114% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  19.90 +/- 3.11   0.209% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.61 +/- 2.57   0.106% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.41, residual support = 159.7:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.24 +/- 0.30  90.821% * 98.4155% (1.00  10.0 10.00   4.42 159.83) =  99.923%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.19 +/- 1.42   6.199% *  0.6760% (0.69   1.0 10.00   0.02   1.66) =   0.047%
        T QE    LYS+  38 - HG2   LYS+ 102  13.45 +/- 3.62   2.980% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.030%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.09 +/- 0.74  73.571% * 97.9004% (1.00  10.0 10.00   5.05 159.83) =  99.972%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.33 +/- 0.92   4.126% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LYS+ 102 - HG3   LYS+  33  15.81 +/- 3.72   1.056% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LYS+ 102 - HG3   LYS+  65  22.65 +/- 2.41   0.281% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    CYS   21 - HG3   LYS+  33  12.08 +/- 2.41   3.396% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   50 - HG3   LYS+  65  16.47 +/- 4.94   2.449% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG3   LYS+  65  18.65 +/- 5.92   1.637% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+  65  16.01 +/- 4.74   1.029% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  65  14.61 +/- 4.72   1.722% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.43 +/- 3.88   3.060% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  23.19 +/- 4.19   0.279% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.87 +/- 3.41   0.523% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  12.92 +/- 2.30   1.898% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.23 +/- 0.40   1.661% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  21.57 +/- 3.95   1.072% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.73 +/- 1.02   0.259% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  30.49 +/- 4.09   0.184% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.84 +/- 3.77   0.227% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  19.60 +/- 2.68   0.430% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.13 +/- 4.10   0.137% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.41 +/- 3.30   0.221% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.58 +/- 3.16   0.164% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.12 +/- 1.64   0.143% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.07 +/- 2.98   0.476% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.906, support = 5.16, residual support = 155.9:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.33 +/- 0.17  37.461% * 49.2845% (1.00  10.0 10.00   4.75 159.83) =  56.966%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.43 +/- 0.13  33.257% * 39.3132% (0.80  10.0  1.00   5.78 158.79) =  40.341%  kept
          QB    LYS+  66 - HG3   LYS+  65   4.76 +/- 1.61  12.997% *  6.3317% (0.56   1.0  1.00   4.60  29.88) =   2.539%  kept
          HG12  ILE  103 - HG3   LYS+ 102   7.63 +/- 0.93   1.350% *  3.2443% (0.34   1.0  1.00   3.86  23.56) =   0.135%  kept
        T HB    VAL   41 - HG3   LYS+ 102  11.69 +/- 2.36   0.466% *  0.2399% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - HG3   LYS+  33   9.96 +/- 2.27   0.776% *  0.1192% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 102 - HG3   LYS+  33  14.80 +/- 3.73   0.320% *  0.2448% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.91 +/- 0.68   0.698% *  0.0898% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HG3   LYS+  65  16.45 +/- 5.44   1.135% *  0.0370% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  65  12.20 +/- 2.91   0.908% *  0.0387% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+  65  15.62 +/- 2.06   0.156% *  0.1952% (0.40   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  20.85 +/- 2.17   0.059% *  0.4011% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  65  14.33 +/- 5.11   1.197% *  0.0195% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  33  10.50 +/- 2.82   0.974% *  0.0236% (0.48   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  11.00 +/- 1.82   0.496% *  0.0437% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG3   LYS+ 106   5.40 +/- 1.21   4.198% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  17.74 +/- 2.82   0.111% *  0.0476% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.92 +/- 2.28   0.631% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  13.84 +/- 3.77   0.435% *  0.0119% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.47 +/- 2.92   0.191% *  0.0168% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  16.73 +/- 2.35   0.123% *  0.0240% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.98 +/- 2.74   0.056% *  0.0455% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  21.77 +/- 1.97   0.051% *  0.0483% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  20.92 +/- 2.79   0.067% *  0.0339% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  24.76 +/- 5.87   0.076% *  0.0240% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  15.86 +/- 2.59   0.180% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  16.16 +/- 2.77   0.155% *  0.0088% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  15.85 +/- 2.56   0.144% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  19.40 +/- 2.67   0.087% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  16.20 +/- 3.29   0.181% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.46 +/- 6.94   0.287% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.25 +/- 2.94   0.153% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.03 +/- 2.86   0.036% *  0.0226% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.41 +/- 3.57   0.131% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.62 +/- 5.26   0.045% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.83 +/- 4.76   0.045% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.20 +/- 4.46   0.075% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.25 +/- 4.04   0.162% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  18.05 +/- 2.90   0.104% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.73 +/- 3.02   0.023% *  0.0038% (0.08   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 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.988, support = 4.41, residual support = 154.6:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  61.724% * 84.4457% (1.00  10.0 10.00   4.42 159.83) =  95.962%  kept
          QG    LYS+  66 - HG3   LYS+  65   4.40 +/- 1.95  16.999% * 12.7257% (0.71   1.0  1.00   4.27  29.88) =   3.983%  kept
          QB    ALA   61 - HG3   LYS+  65   5.96 +/- 1.98  10.287% *  0.2436% (0.43   1.0  1.00   0.13   0.02) =   0.046%
          HG    LEU   73 - HG3   LYS+  65  12.52 +/- 2.63   1.709% *  0.0674% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 102 - HG3   LYS+  33  16.42 +/- 4.49   0.181% *  0.4195% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.38 +/- 1.49   0.294% *  0.1539% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   7.48 +/- 0.94   0.926% *  0.0472% (0.56   1.0  1.00   0.02   0.39) =   0.001%
          HG    LEU   67 - HG3   LYS+  65   8.07 +/- 1.41   0.903% *  0.0472% (0.56   1.0  1.00   0.02   0.39) =   0.001%
          HG    LEU   73 - HG3   LYS+  33  11.80 +/- 4.54   0.631% *  0.0411% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  24.33 +/- 2.70   0.027% *  0.6872% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  12.71 +/- 1.67   0.196% *  0.0550% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  13.74 +/- 1.62   0.147% *  0.0676% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  11.41 +/- 1.87   0.293% *  0.0336% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.01 +/- 2.08   0.175% *  0.0550% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33  10.30 +/- 3.99   0.828% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  14.39 +/- 3.59   0.281% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.55 +/- 3.20   0.265% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  18.78 +/- 3.39   0.075% *  0.0828% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  14.54 +/- 4.58   0.234% *  0.0171% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.71 +/- 2.35   0.315% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  20.16 +/- 3.89   0.085% *  0.0444% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  21.33 +/- 3.33   0.047% *  0.0733% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  17.01 +/- 2.75   0.090% *  0.0364% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  19.94 +/- 2.84   0.053% *  0.0580% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  16.21 +/- 3.00   0.139% *  0.0221% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  11.84 +/- 1.17   0.222% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  20.58 +/- 2.55   0.046% *  0.0580% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  13.96 +/- 3.60   0.325% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.60 +/- 2.74   0.038% *  0.0676% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.43 +/- 2.63   0.170% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.47 +/- 3.89   0.192% *  0.0133% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.14 +/- 1.89   0.147% *  0.0171% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  22.64 +/- 5.74   0.084% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  17.33 +/- 2.70   0.100% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  19.11 +/- 4.11   0.088% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  15.10 +/- 1.59   0.114% *  0.0171% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  19.31 +/- 4.40   0.082% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  16.22 +/- 3.58   0.158% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  19.11 +/- 7.23   0.100% *  0.0143% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.74 +/- 1.34   0.253% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.55 +/- 1.95   0.046% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  21.16 +/- 5.22   0.114% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.66 +/- 3.21   0.110% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  23.06 +/- 2.81   0.032% *  0.0336% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.82 +/- 4.28   0.042% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.61 +/- 2.15   0.204% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  13.31 +/- 2.60   0.191% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.42 +/- 2.95   0.034% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.32 +/- 4.28   0.089% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.75 +/- 2.37   0.028% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  23.58 +/- 2.98   0.030% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.10 +/- 2.77   0.059% *  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 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 = 0.785, support = 4.13, residual support = 158.6:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.45 +/- 0.09  25.697% * 63.6907% (1.00  10.0 10.00   4.00 159.83) =  62.805%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.34 +/- 0.15  29.953% * 29.3443% (0.46  10.0 10.00   4.33 158.79) =  33.729%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.31 +/- 0.15  30.985% *  2.8935% (0.05  10.0  1.00   4.62 135.46) =   3.441%  kept
        T HB2   LEU   73 - HG3   LYS+  65  12.45 +/- 2.45   0.567% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.005%
          HG3   PRO   93 - HG3   LYS+  65  16.40 +/- 5.52   1.815% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   LYS+ 106   9.64 +/- 1.42   0.572% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - HG3   LYS+  33  12.92 +/- 4.75   0.467% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  33  16.07 +/- 3.90   0.160% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HG3   LYS+  65  21.02 +/- 4.25   0.131% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HG3   LYS+  33  11.01 +/- 4.04   3.772% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  22.51 +/- 2.36   0.036% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  33  17.49 +/- 2.83   0.089% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 102  13.66 +/- 3.66   0.300% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG3   LYS+  65  18.85 +/- 5.45   0.520% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  20.34 +/- 3.16   0.057% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 102  23.06 +/- 2.31   0.034% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.95 +/- 2.84   0.026% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.09 +/- 1.01   0.425% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   9.00 +/- 1.54   0.693% *  0.0142% (0.22   1.0  1.00   0.02   1.66) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  15.54 +/- 1.94   0.119% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.61 +/- 2.71   0.137% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  17.57 +/- 3.09   0.097% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.56 +/- 1.03   0.361% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.89 +/- 7.50   0.187% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  17.38 +/- 2.92   0.099% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  19.53 +/- 6.87   0.128% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.70 +/- 2.49   0.378% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  29.53 +/- 3.05   0.016% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  18.07 +/- 2.72   0.082% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  20.13 +/- 5.06   0.079% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.35 +/- 1.95   0.116% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.52 +/- 2.84   0.047% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  19.75 +/- 4.00   0.079% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  24.57 +/- 5.75   0.040% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  13.00 +/- 5.10   0.381% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  21.83 +/- 6.03   0.111% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  19.64 +/- 6.16   0.087% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  16.01 +/- 2.35   0.116% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  18.07 +/- 3.28   0.101% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.60 +/- 2.17   0.034% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.79 +/- 1.65   0.183% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  15.55 +/- 3.75   0.158% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  18.29 +/- 3.25   0.082% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.17 +/- 2.93   0.029% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.59 +/- 2.24   0.086% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.42 +/- 0.56   0.262% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  25.80 +/- 3.29   0.033% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  18.04 +/- 2.38   0.073% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 159.7:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.31 +/- 0.22  83.818% * 94.7812% (1.00  10.0 10.00   4.00 159.83) =  99.921%  kept
        T QE    LYS+  99 - HG3   LYS+  33  10.44 +/- 3.54   8.206% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.033%
        T QE    LYS+  99 - HG3   LYS+ 102   9.67 +/- 1.34   1.618% *  0.6511% (0.69   1.0 10.00   0.02   1.66) =   0.013%
        T QE    LYS+  38 - HG3   LYS+ 102  14.11 +/- 3.60   0.813% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.009%
        T QE    LYS+  38 - HG3   LYS+  33   9.84 +/- 1.41   1.582% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.009%
        T QE    LYS+ 102 - HG3   LYS+  33  16.66 +/- 3.96   0.692% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.21 +/- 1.31   1.547% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+  65  15.34 +/- 2.31   0.374% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  38 - HG3   LYS+  65  17.92 +/- 3.30   0.263% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  65  22.51 +/- 2.26   0.125% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG3   LYS+ 106  12.09 +/- 0.64   0.702% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG3   LYS+ 106  17.83 +/- 2.34   0.262% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.04 +/- 0.77  58.372% * 98.9625% (1.00 10.00   5.05 159.83) =  99.961%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.39 +/- 1.99  10.984% *  0.1493% (0.13  1.00   0.24   0.02) =   0.028%
          HA    TRP   49 - QD    LYS+  65  16.36 +/- 5.80  13.358% *  0.0162% (0.16  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 102 - QD    LYS+  65  21.23 +/- 2.30   0.291% *  0.2501% (0.25 10.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QD    LYS+  65  14.57 +/- 4.87   5.627% *  0.0112% (0.11  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+ 102  20.75 +/- 4.06   0.615% *  0.0827% (0.84  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - HD2   LYS+ 111  24.21 +/- 2.15   0.172% *  0.2587% (0.26 10.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+  65  14.92 +/- 4.80   1.936% *  0.0209% (0.21  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HD2   LYS+ 111  14.85 +/- 4.56   2.638% *  0.0116% (0.12  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HD2   LYS+ 111  17.03 +/- 5.54   1.809% *  0.0167% (0.17  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QD    LYS+ 102  19.81 +/- 1.32   0.283% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  13.64 +/- 4.69   2.105% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  20.98 +/- 3.35   0.473% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  26.97 +/- 4.05   0.133% *  0.0640% (0.65  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.73 +/- 3.51   0.666% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.51 +/- 3.89   0.160% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  25.27 +/- 4.43   0.164% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  24.11 +/- 4.72   0.215% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.81, support = 4.84, residual support = 157.7:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.36 +/- 0.24  33.384% * 70.5555% (1.00  10.0 10.00   4.75 159.83) =  74.791%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.15 +/- 0.15  43.067% * 17.4800% (0.25  10.0 10.00   5.27 158.79) =  23.904%  kept
        T HG2   PRO   93 - HD2   LYS+ 111  10.52 +/- 5.13  10.079% *  1.6091% (0.24   1.0 10.00   0.19   0.02) =   0.515%  kept
          QB    LYS+  66 - QD    LYS+  65   5.13 +/- 1.02   4.946% *  2.6960% (0.17   1.0  1.00   4.40  29.88) =   0.423%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.69 +/- 1.19   2.314% *  4.6784% (0.34   1.0  1.00   3.89  23.56) =   0.344%  kept
        T HG2   PRO   93 - QD    LYS+  65  14.80 +/- 5.35   1.764% *  0.1646% (0.23   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   41 - QD    LYS+ 102  11.07 +/- 2.25   0.538% *  0.3434% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   PRO   93 - QD    LYS+ 102  21.10 +/- 2.81   0.113% *  0.6513% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  65 - HD2   LYS+ 111  17.81 +/- 3.66   0.258% *  0.1808% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QD    LYS+ 102  19.84 +/- 1.96   0.067% *  0.6916% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  65  15.11 +/- 1.97   0.141% *  0.0868% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  19.53 +/- 2.06   0.064% *  0.1783% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  12.26 +/- 2.62   0.516% *  0.0172% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65  13.53 +/- 4.70   0.953% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  16.59 +/- 2.38   0.118% *  0.0681% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.96 +/- 1.98   0.042% *  0.1845% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  14.89 +/- 3.07   0.281% *  0.0275% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  22.12 +/- 4.76   0.071% *  0.1089% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  19.12 +/- 2.70   0.076% *  0.0485% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.99 +/- 2.30   0.037% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.53 +/- 5.07   0.074% *  0.0343% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.95 +/- 1.91   0.082% *  0.0285% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.82 +/- 4.09   0.131% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  12.79 +/- 4.54   0.417% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.44 +/- 4.55   0.087% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.48 +/- 3.77   0.037% *  0.0178% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  18.25 +/- 2.69   0.094% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  16.46 +/- 3.35   0.164% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.02 +/- 2.30   0.058% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.68 +/- 4.25   0.027% *  0.0090% (0.13   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 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.983, support = 4.42, residual support = 157.0:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.21 +/- 0.08  45.263% * 92.8305% (1.00  10.0 10.00   4.42 159.83) =  97.852%  kept
          QG    LYS+  66 - QD    LYS+  65   4.63 +/- 1.76  16.991% *  4.6302% (0.22   1.0  1.00   4.55  29.88) =   1.832%  kept
          QB    ALA  110 - HD2   LYS+ 111   5.02 +/- 1.33  11.512% *  1.1415% (0.08   1.0  1.00   3.05   9.12) =   0.306%  kept
          QB    ALA   61 - QD    LYS+  65   5.26 +/- 2.10  16.115% *  0.0123% (0.13   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   73 - QD    LYS+  65  11.98 +/- 2.14   1.043% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    LYS+ 102  12.86 +/- 1.39   0.277% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   7.78 +/- 0.94   1.161% *  0.0161% (0.17   1.0  1.00   0.02   0.39) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   9.50 +/- 1.61   0.821% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  17.12 +/- 2.81   0.171% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.32 +/- 1.09   0.905% *  0.0161% (0.17   1.0  1.00   0.02   0.39) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  12.83 +/- 2.15   0.684% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  22.75 +/- 2.52   0.054% *  0.2346% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  18.14 +/- 3.57   0.224% *  0.0488% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  26.02 +/- 2.79   0.034% *  0.2427% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.47 +/- 3.23   0.098% *  0.0805% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  18.37 +/- 2.96   0.111% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.12 +/- 2.40   0.084% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  18.95 +/- 2.51   0.090% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  12.71 +/- 1.58   0.299% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  17.21 +/- 4.10   0.221% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.68 +/- 1.46   0.710% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  18.86 +/- 4.03   0.175% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  20.25 +/- 5.28   0.108% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.53 +/- 2.96   0.407% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  17.95 +/- 1.70   0.101% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  21.48 +/- 5.58   0.116% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  12.82 +/- 2.02   0.464% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  14.96 +/- 2.05   0.206% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.70 +/- 3.69   0.092% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  19.87 +/- 2.66   0.079% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  13.94 +/- 4.31   0.309% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.77 +/- 1.83   0.296% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  17.13 +/- 4.06   0.208% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.80 +/- 1.31   0.260% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.70 +/- 4.13   0.078% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.75 +/- 4.00   0.075% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.94 +/- 2.66   0.056% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  23.78 +/- 4.46   0.071% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  25.84 +/- 3.29   0.033% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.832, support = 4.07, residual support = 159.3:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.45 +/- 0.09  33.468% * 72.6983% (1.00  10.0 10.00   4.00 159.83) =  77.646%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.34 +/- 0.15  38.467% * 18.0109% (0.25  10.0 10.00   4.33 158.79) =  22.110%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   7.72 +/- 1.01   1.368% *  4.4734% (0.26   1.0  1.00   4.75  28.47) =   0.195%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.64 +/- 1.42   0.814% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.018%
        T HB3   PRO   93 - HD2   LYS+ 111  11.01 +/- 4.51   2.883% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QD    LYS+ 102  16.07 +/- 3.90   0.215% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   12 - QD    LYS+ 102  21.56 +/- 5.26   2.899% *  0.0441% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU   73 - QD    LYS+ 102  18.21 +/- 2.69   0.097% *  0.7254% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD    LYS+  65  13.40 +/- 5.03   9.126% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD    LYS+ 102   6.53 +/- 0.95   2.230% *  0.0248% (0.34   1.0  1.00   0.02   2.21) =   0.002%
        T HG3   LYS+  65 - QD    LYS+ 102  22.51 +/- 2.36   0.047% *  0.7126% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HD2   LYS+ 111  15.54 +/- 1.94   0.163% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   7.68 +/- 1.25   1.441% *  0.0202% (0.28   1.0  1.00   0.02   2.21) =   0.001%
          HB3   LEU   73 - QD    LYS+  65  11.28 +/- 2.42   1.439% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HD2   LYS+ 111  21.02 +/- 4.25   0.129% *  0.1863% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - HD2   LYS+ 111  21.33 +/- 5.17   0.113% *  0.1896% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QD    LYS+  65  17.49 +/- 2.83   0.119% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+  65  17.57 +/- 3.09   0.118% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  13.75 +/- 1.52   0.224% *  0.0713% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD    LYS+  65  15.24 +/- 4.96   0.935% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  23.06 +/- 2.31   0.043% *  0.1837% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.95 +/- 2.84   0.034% *  0.1901% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.59 +/- 1.24   0.342% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  14.65 +/- 3.15   0.321% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.65 +/- 3.05   0.145% *  0.0273% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  29.53 +/- 3.05   0.021% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  19.85 +/- 2.38   0.110% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  10.21 +/- 3.21   1.104% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.11 +/- 2.02   0.043% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  19.61 +/- 5.88   0.206% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.10 +/- 3.91   0.286% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  19.43 +/- 2.39   0.075% *  0.0186% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  14.96 +/- 2.07   0.173% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.31 +/- 3.13   0.146% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.31 +/- 2.44   0.071% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.09 +/- 2.44   0.114% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  16.28 +/- 2.58   0.158% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.10 +/- 1.72   0.077% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  28.31 +/- 5.16   0.029% *  0.0115% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.77 +/- 2.89   0.057% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.39 +/- 1.83   0.077% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  21.48 +/- 4.46   0.075% *  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 = 159.8:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.09 +/- 0.02  96.904% * 97.1326% (1.00  10.0 10.00   4.00 159.83) =  99.981%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.41 +/- 1.27   1.346% *  0.6672% (0.69   1.0 10.00   0.02   1.66) =   0.010%
        T QE    LYS+  38 - QD    LYS+ 102  13.32 +/- 3.32   0.756% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  99 - QD    LYS+  65  14.80 +/- 2.27   0.386% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QD    LYS+  65  17.07 +/- 3.00   0.281% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - QD    LYS+  65  20.97 +/- 2.10   0.107% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  22.11 +/- 2.42   0.096% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  22.83 +/- 2.22   0.082% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  27.88 +/- 2.02   0.043% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 159.7:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.37 +/- 0.48  82.787% * 98.6090% (1.00 10.00   5.05 159.83) =  99.929%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.94 +/- 1.10   7.218% *  0.6725% (0.68 10.00   0.02   1.66) =   0.059%
        T HA    LYS+ 102 - QE    LYS+  38  13.54 +/- 3.35   3.041% *  0.2257% (0.23 10.00   0.02   0.02) =   0.008%
          HA    CYS   21 - QE    LYS+  99  17.22 +/- 2.69   0.784% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QE    LYS+ 102  21.09 +/- 3.72   0.473% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  26.61 +/- 4.05   0.473% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.15 +/- 3.73   0.577% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.18 +/- 1.14   0.531% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  18.42 +/- 2.07   0.706% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  21.36 +/- 1.29   0.384% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.36 +/- 3.13   0.386% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  25.35 +/- 3.39   0.266% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  16.90 +/- 2.05   0.751% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  21.26 +/- 3.04   0.413% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  18.39 +/- 1.80   0.643% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  29.25 +/- 3.53   0.162% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.62 +/- 1.89   0.201% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  27.53 +/- 3.15   0.201% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.982, support = 4.66, residual support = 155.7:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.42 +/- 0.43  66.608% * 78.5244% (1.00 10.00   4.75 159.83) =  97.359%  kept
        T HB    VAL   41 - QE    LYS+  99   7.35 +/- 1.73   8.083% * 14.3084% (0.33 10.00   1.10   0.02) =   2.153%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.48 +/- 0.81   4.343% *  5.3051% (0.34  1.00   3.96  23.56) =   0.429%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.64 +/- 1.18   3.766% *  0.5355% (0.68 10.00   0.02   1.66) =   0.038%
        T HB    VAL   41 - QE    LYS+ 102  11.30 +/- 2.07   1.268% *  0.3822% (0.49 10.00   0.02   0.02) =   0.009%
        T QB    LYS+ 102 - QE    LYS+  38  12.08 +/- 3.15   1.143% *  0.1797% (0.23 10.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - QE    LYS+  99   8.84 +/- 1.89   3.230% *  0.0517% (0.66  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - QE    LYS+  38  10.83 +/- 1.70   0.942% *  0.0875% (0.11 10.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QE    LYS+  38  10.81 +/- 3.01   2.861% *  0.0173% (0.22  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  99  12.46 +/- 2.58   0.985% *  0.0368% (0.47  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+  99  13.72 +/- 1.85   0.481% *  0.0525% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  16.82 +/- 2.37   0.329% *  0.0758% (0.97  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.66 +/- 1.12   1.350% *  0.0183% (0.23  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  15.95 +/- 4.13   0.616% *  0.0261% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  19.78 +/- 1.89   0.164% *  0.0770% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.75 +/- 2.49   0.144% *  0.0725% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  19.09 +/- 2.81   0.180% *  0.0539% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  22.88 +/- 4.99   0.198% *  0.0382% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.34 +/- 2.08   0.149% *  0.0494% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  14.97 +/- 3.38   0.591% *  0.0123% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  16.40 +/- 2.65   0.295% *  0.0176% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  17.39 +/- 5.29   0.495% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  16.25 +/- 4.29   0.429% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.89 +/- 2.68   0.404% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.03 +/- 4.60   0.184% *  0.0121% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  21.90 +/- 4.52   0.137% *  0.0121% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  24.93 +/- 2.72   0.072% *  0.0166% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.50 +/- 4.07   0.143% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  22.03 +/- 6.84   0.349% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  28.17 +/- 3.97   0.057% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.996, support = 4.39, residual support = 158.5:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.24 +/- 0.30  50.140% * 95.4617% (1.00  10.0 10.00   4.42 159.83) =  99.132%  kept
          HG    LEU   40 - QE    LYS+  99   5.41 +/- 1.05  15.376% *  2.4902% (0.55   1.0  1.00   0.96  10.79) =   0.793%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.19 +/- 1.42   3.504% *  0.6510% (0.68   1.0 10.00   0.02   1.66) =   0.047%
        T HG2   LYS+ 102 - QE    LYS+  38  13.45 +/- 3.62   1.635% *  0.2185% (0.23   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   67 - QE    LYS+  99  11.03 +/- 2.86   3.118% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - QE    LYS+  99  11.40 +/- 2.91   2.742% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - QE    LYS+  99  12.93 +/- 2.96   1.415% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - QE    LYS+  99  13.41 +/- 3.33   2.203% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QE    LYS+ 102  13.12 +/- 1.46   0.870% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  99  13.16 +/- 1.83   0.862% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  38   9.74 +/- 1.72   2.977% *  0.0175% (0.18   1.0  1.00   0.02   0.49) =   0.001%
          HG    LEU   73 - QE    LYS+ 102  17.18 +/- 3.02   0.456% *  0.0936% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+ 102  19.42 +/- 3.33   0.353% *  0.0828% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+ 102  18.13 +/- 3.28   0.574% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  38  13.59 +/- 3.18   1.851% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+ 102  18.40 +/- 2.97   0.394% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+ 102  18.77 +/- 2.25   0.311% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  16.90 +/- 2.74   0.450% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  19.00 +/- 2.57   0.327% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  13.88 +/- 3.20   1.303% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  15.40 +/- 3.46   0.931% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  20.20 +/- 5.12   0.509% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.94 +/- 3.94   0.671% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  14.78 +/- 3.70   0.971% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.49 +/- 3.21   0.865% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.09 +/- 2.22   0.631% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.53 +/- 1.81   0.387% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  19.48 +/- 3.87   0.338% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.40 +/- 2.71   0.422% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  16.52 +/- 2.63   0.587% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  19.54 +/- 2.50   0.281% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.10 +/- 3.64   0.265% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  18.37 +/- 1.63   0.310% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  15.46 +/- 3.33   0.660% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  22.22 +/- 2.86   0.195% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  19.14 +/- 4.80   0.542% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  21.46 +/- 2.77   0.210% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  22.71 +/- 1.75   0.165% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  22.64 +/- 3.42   0.201% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.996, support = 3.99, residual support = 159.1:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.31 +/- 0.22  63.978% * 87.1280% (1.00  10.0 10.00   4.00 159.83) =  99.516%  kept
          QB    LEU   98 - QE    LYS+  99   6.61 +/- 0.54   3.270% *  4.2927% (0.23   1.0  1.00   4.24  18.51) =   0.251%  kept
          HG    LEU   98 - QE    LYS+  99   7.32 +/- 1.13   2.749% *  2.1526% (0.19   1.0  1.00   2.61  18.51) =   0.106%  kept
        T HG3   LYS+  33 - QE    LYS+  99  10.44 +/- 3.54   6.279% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.063%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.21 +/- 1.31   1.180% *  0.8242% (0.95   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   LYS+ 102 - QE    LYS+  99   9.67 +/- 1.34   1.234% *  0.5942% (0.68   1.0 10.00   0.02   1.66) =   0.013%
        T HG3   LYS+  33 - QE    LYS+ 102  16.66 +/- 3.96   0.520% *  0.8242% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 106 - QE    LYS+  99  12.09 +/- 0.64   0.533% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - QE    LYS+  38   9.84 +/- 1.41   1.201% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - QE    LYS+  99  15.34 +/- 2.31   0.284% *  0.5824% (0.67   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - QE    LYS+  38  14.11 +/- 3.60   0.617% *  0.1994% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QE    LYS+  99   8.49 +/- 1.78   1.984% *  0.0582% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QE    LYS+ 102   6.65 +/- 0.72   3.381% *  0.0297% (0.34   1.0  1.00   0.02   2.21) =   0.002%
        T HG3   LYS+  65 - QE    LYS+ 102  22.51 +/- 2.26   0.095% *  0.8540% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    LYS+ 102  22.05 +/- 4.87   1.308% *  0.0528% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QE    LYS+ 102   7.87 +/- 1.04   1.963% *  0.0242% (0.28   1.0  1.00   0.02   2.21) =   0.001%
        T HG3   LYS+  65 - QE    LYS+  38  17.92 +/- 3.30   0.200% *  0.1955% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  17.83 +/- 2.34   0.199% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+ 102  13.87 +/- 1.33   0.359% *  0.0854% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  99  14.25 +/- 2.00   0.389% *  0.0593% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  18.26 +/- 2.83   0.251% *  0.0869% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  14.33 +/- 4.50   0.963% *  0.0121% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  15.88 +/- 3.55   0.319% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  12.66 +/- 1.83   0.497% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  15.77 +/- 6.21   0.749% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  16.46 +/- 2.82   0.245% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  15.74 +/- 3.34   0.870% *  0.0092% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  11.07 +/- 2.23   1.084% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  22.72 +/- 1.69   0.074% *  0.0864% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.11 +/- 2.28   0.109% *  0.0589% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  19.54 +/- 2.00   0.159% *  0.0358% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.49 +/- 2.69   0.921% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  19.41 +/- 5.63   0.289% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.24 +/- 2.30   0.241% *  0.0199% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  17.94 +/- 1.79   0.166% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.70 +/- 1.66   0.147% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  19.41 +/- 7.57   0.568% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  20.33 +/- 2.28   0.144% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  26.10 +/- 2.62   0.052% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  20.45 +/- 2.01   0.109% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  17.83 +/- 3.25   0.243% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  23.24 +/- 2.20   0.075% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.791, support = 4.02, residual support = 169.9:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.09 +/- 0.02  31.020% * 72.2175% (1.00  10.0 10.00   4.00 159.83) =  74.799%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.02  31.060% * 13.2369% (0.18  10.0  1.00   3.74 220.97) =  13.728%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  31.273% * 10.9650% (0.15  10.0 10.00   4.47 174.90) =  11.450%  kept
        T QD    LYS+ 102 - QE    LYS+  99   9.41 +/- 1.27   0.431% *  0.4925% (0.68   1.0 10.00   0.02   1.66) =   0.007%
        T QD    LYS+ 106 - QE    LYS+ 102   8.47 +/- 1.29   0.557% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - QE    LYS+ 102   9.14 +/- 1.41   0.466% *  0.1608% (0.22   1.0 10.00   0.02   1.66) =   0.003%
          QD    LYS+  38 - QE    LYS+  99   6.84 +/- 1.47   1.366% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - QE    LYS+  38   7.90 +/- 1.98   1.368% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  38  13.32 +/- 3.32   0.241% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  99  14.80 +/- 2.27   0.121% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  99  12.11 +/- 0.83   0.168% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  22.11 +/- 2.42   0.031% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QE    LYS+ 102  13.63 +/- 3.40   0.254% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  20.97 +/- 2.10   0.034% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  22.83 +/- 2.22   0.026% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  17.07 +/- 3.00   0.088% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  14.08 +/- 5.54   0.268% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  17.59 +/- 5.67   0.127% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  17.26 +/- 6.22   0.142% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  17.73 +/- 4.61   0.087% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.91 +/- 2.52   0.094% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.29 +/- 2.58   0.055% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  21.85 +/- 4.90   0.041% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.49 +/- 1.89   0.111% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  18.46 +/- 3.53   0.067% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  18.53 +/- 2.85   0.060% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.71 +/- 2.09   0.038% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.27 +/- 2.05   0.040% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  27.88 +/- 2.02   0.014% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  22.28 +/- 7.18   0.081% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.22 +/- 1.91   0.034% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  19.66 +/- 5.96   0.078% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.40 +/- 2.39   0.078% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  21.07 +/- 3.01   0.037% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  25.11 +/- 2.54   0.021% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  25.74 +/- 3.06   0.022% *  0.0094% (0.13   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 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 = 0.778, support = 5.73, residual support = 138.3:
    * O T HB    ILE  103 - HA    ILE  103   2.96 +/- 0.08  28.357% * 78.9136% (1.00  10.0 10.00   5.66 138.98) =  72.212%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.36 +/- 0.31  54.045% * 15.6169% (0.20  10.0 10.00   5.98 138.98) =  27.236%  kept
          HB3   LYS+  38 - HA    THR   39   4.77 +/- 0.32   7.170% *  1.2804% (0.08   1.0  1.00   3.94  28.99) =   0.296%  kept
          HB3   ASP- 105 - HA    ILE  103   6.87 +/- 0.50   2.344% *  2.9408% (0.99   1.0  1.00   0.75   3.24) =   0.222%  kept
          QB    LYS+ 106 - HA    ILE  103   6.76 +/- 0.96   2.728% *  0.2996% (0.80   1.0  1.00   0.09   0.02) =   0.026%
        T HB    ILE  103 - HA    THR   39  15.69 +/- 1.49   0.212% *  0.2607% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    THR   39   8.97 +/- 1.25   1.384% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  14.79 +/- 2.50   0.341% *  0.0746% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    THR   39  11.55 +/- 2.78   0.969% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ILE  103  17.21 +/- 3.40   0.259% *  0.0787% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ILE  103  19.38 +/- 2.57   0.115% *  0.0659% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  20.62 +/- 2.24   0.093% *  0.0708% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  23.05 +/- 4.35   0.190% *  0.0324% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.91 +/- 1.54   0.239% *  0.0258% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.36 +/- 3.55   0.078% *  0.0787% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  15.00 +/- 2.32   0.293% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  19.94 +/- 4.39   0.131% *  0.0324% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  19.35 +/- 2.50   0.130% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  16.57 +/- 1.12   0.167% *  0.0209% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  21.58 +/- 6.13   0.189% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.97 +/- 1.57   0.298% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  23.12 +/- 1.92   0.066% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  25.97 +/- 3.14   0.049% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  27.35 +/- 1.95   0.037% *  0.0234% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.39 +/- 2.26   0.075% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  27.39 +/- 3.32   0.042% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.886, support = 5.43, residual support = 138.3:
    * O T QG2   ILE  103 - HA    ILE  103   2.65 +/- 0.18  46.779% * 65.7016% (1.00  10.0 10.00   5.59 138.98) =  79.614%  kept
        T QD1   ILE  103 - HA    ILE  103   3.39 +/- 0.45  25.954% * 29.4561% (0.45   1.0 10.00   4.89 138.98) =  19.803%  kept
          QD2   LEU   40 - HA    THR   39   5.77 +/- 0.38   4.706% *  3.8784% (0.32   1.0  1.00   3.70  24.72) =   0.473%  kept
          QD2   LEU   71 - HA    THR   39   6.38 +/- 2.31  11.605% *  0.3173% (0.19   1.0  1.00   0.52   0.16) =   0.095%
          QD2   LEU   40 - HA    ILE  103   6.47 +/- 1.05   3.862% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.006%
        T QG2   ILE  103 - HA    THR   39  12.98 +/- 0.94   0.431% *  0.2171% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    ILE  103  11.93 +/- 2.69   1.207% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    THR   39   8.87 +/- 2.07   2.682% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE  103 - HA    THR   39  12.94 +/- 1.55   0.475% *  0.0973% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  12.76 +/- 1.61   0.452% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.15 +/- 2.43   0.214% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  13.78 +/- 1.69   0.384% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  15.41 +/- 3.33   0.322% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.91 +/- 2.85   0.267% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  15.13 +/- 1.63   0.322% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  17.14 +/- 3.97   0.338% *  0.0060% (0.09   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 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.701, support = 5.1, residual support = 138.5:
    *   T QD1   ILE  103 - HA    ILE  103   3.39 +/- 0.45  26.138% * 77.1895% (0.92   1.0 10.00   4.89 138.98) =  67.009%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.65 +/- 0.18  47.113% * 20.8504% (0.25  10.0 10.00   5.59 138.98) =  32.625%  kept
          QD2   LEU   71 - HA    THR   39   6.38 +/- 2.31  11.687% *  0.5958% (0.28   1.0  1.00   0.52   0.16) =   0.231%  kept
          QD2   LEU   40 - HA    THR   39   5.77 +/- 0.38   4.740% *  0.7892% (0.05   1.0  1.00   3.70  24.72) =   0.124%  kept
        T QD1   ILE  103 - HA    THR   39  12.94 +/- 1.55   0.478% *  0.2550% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HA    ILE  103   6.47 +/- 1.05   3.890% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HA    ILE  103  12.76 +/- 1.61   0.455% *  0.0698% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE  103 - HA    THR   39  12.98 +/- 0.94   0.434% *  0.0689% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  15.41 +/- 3.33   0.324% *  0.0834% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  11.93 +/- 2.69   1.216% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    THR   39   8.87 +/- 2.07   2.701% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  17.14 +/- 3.97   0.340% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.15 +/- 2.43   0.215% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.91 +/- 2.85   0.269% *  0.0094% (0.11   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 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 139.0:
    * O T HA    ILE  103 - HB    ILE  103   2.96 +/- 0.08  92.195% * 98.6567% (1.00  10.0 10.00   5.66 138.98) =  99.989%  kept
        T HA    THR   39 - HB    ILE  103  15.69 +/- 1.49   0.701% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.006%
          HA    ASP-  44 - HB    ILE  103  12.66 +/- 1.48   1.358% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HB    ILE  103  30.26 +/- 6.69   1.161% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  17.33 +/- 3.47   0.599% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB    ILE  103  17.78 +/- 2.46   0.546% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB    ILE  103  14.94 +/- 4.57   1.191% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  21.97 +/- 3.08   0.295% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.08 +/- 3.95   0.377% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.16 +/- 2.93   0.561% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  27.82 +/- 5.39   0.559% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  24.79 +/- 5.10   0.457% *  0.0220% (0.22   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 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 = 0.838, support = 5.04, residual support = 139.0:
    * O T QG2   ILE  103 - HB    ILE  103   2.11 +/- 0.02  51.096% * 68.8462% (1.00  10.0 10.00   5.18 138.98) =  70.710%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.18 +/- 0.19  47.206% * 30.8659% (0.45  10.0 10.00   4.70 138.98) =  29.288%  kept
          QD2   LEU   40 - HB    ILE  103   8.77 +/- 1.01   0.824% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB    ILE  103  13.91 +/- 2.68   0.333% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.87 +/- 1.69   0.163% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.83 +/- 2.38   0.083% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.16 +/- 1.77   0.158% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.56 +/- 3.14   0.136% *  0.0191% (0.28   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 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.771, support = 4.81, residual support = 139.0:
    * O T QD1   ILE  103 - HB    ILE  103   2.18 +/- 0.19  47.281% * 78.5650% (0.92  10.0 10.00   4.70 138.98) =  77.376%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.11 +/- 0.02  51.177% * 21.2220% (0.25  10.0 10.00   5.18 138.98) =  22.623%  kept
          QG2   ILE  119 - HB    ILE  103  16.56 +/- 3.14   0.137% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.87 +/- 1.69   0.163% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  103   8.77 +/- 1.01   0.825% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.91 +/- 2.68   0.334% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.83 +/- 2.38   0.083% *  0.0290% (0.34   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 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 139.0:
    * O T HA    ILE  103 - QG2   ILE  103   2.65 +/- 0.18  90.831% * 98.6567% (1.00  10.0 10.00   5.59 138.98) =  99.987%  kept
        T HA    THR   39 - QG2   ILE  103  12.98 +/- 0.94   0.854% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - QG2   ILE  103   9.28 +/- 1.08   2.441% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   77 - QG2   ILE  103  14.07 +/- 1.91   0.766% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG2   ILE  103  14.44 +/- 2.54   0.694% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG2   ILE  103  24.86 +/- 5.19   0.513% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   ILE  103  15.96 +/- 2.55   1.116% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  12.79 +/- 3.40   1.196% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.26 +/- 3.23   0.547% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  17.97 +/- 2.02   0.351% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  22.82 +/- 4.10   0.316% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  20.23 +/- 3.81   0.375% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.928, support = 5.18, residual support = 138.0:
    * O T HB    ILE  103 - QG2   ILE  103   2.11 +/- 0.02  50.858% * 79.0683% (1.00  10.0 10.00   5.18 138.98) =  90.414%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.77 +/- 0.31  25.177% * 15.6475% (0.20  10.0 10.00   5.48 138.98) =   8.858%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.79 +/- 0.39   4.651% *  4.0238% (0.99   1.0  1.00   1.03   3.24) =   0.421%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.40 +/- 0.86  17.494% *  0.7765% (0.80   1.0  1.00   0.25   0.02) =   0.305%  kept
          QB    LYS+  33 - QG2   ILE  103  14.24 +/- 1.92   0.217% *  0.0748% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  15.44 +/- 2.82   0.199% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.97 +/- 3.72   0.481% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  19.54 +/- 3.05   0.144% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  16.03 +/- 2.01   0.137% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  16.15 +/- 1.76   0.126% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.17 +/- 2.05   0.181% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  16.07 +/- 3.27   0.160% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  14.74 +/- 1.82   0.176% *  0.0197% (0.25   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 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 = 138.8:
    *   T HA    ILE  103 - QD1   ILE  103   3.39 +/- 0.45  75.812% * 97.5978% (0.92 10.00   4.89 138.98) =  99.897%  kept
          HA    ASP-  86 - QD1   ILE  103  10.73 +/- 4.01   4.696% *  1.1004% (0.26  1.00   0.81   0.02) =   0.070%
        T HA    THR   39 - QD1   ILE  103  12.94 +/- 1.55   1.645% *  0.7087% (0.67 10.00   0.02   0.02) =   0.016%
          HA    ASP-  44 - QD1   ILE  103   9.49 +/- 1.69   5.220% *  0.0923% (0.87  1.00   0.02   0.02) =   0.007%
          HA    MET   11 - QD1   ILE  103  24.96 +/- 5.20   2.312% *  0.0901% (0.85  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - QD1   ILE  103  12.71 +/- 3.04   2.067% *  0.0957% (0.90  1.00   0.02   0.02) =   0.003%
          HB    THR   77 - QD1   ILE  103  13.21 +/- 2.23   2.018% *  0.0957% (0.90  1.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - QD1   ILE  103  16.63 +/- 2.83   0.922% *  0.0782% (0.74  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   ILE  103  22.86 +/- 4.37   1.722% *  0.0301% (0.28  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   ILE  103  20.30 +/- 4.25   2.144% *  0.0217% (0.21  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QD1   ILE  103  20.99 +/- 2.93   0.550% *  0.0592% (0.56  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.33 +/- 2.24   0.892% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.796, support = 4.69, residual support = 139.0:
    * O T HB    ILE  103 - QD1   ILE  103   2.18 +/- 0.19  44.845% * 82.9317% (0.92  10.0 10.00   4.70 138.98) =  82.861%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.02  46.836% * 16.4121% (0.18  10.0 10.00   4.62 138.98) =  17.126%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.10 +/- 1.05   5.796% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.009%
          HB3   ASP- 105 - QD1   ILE  103   7.69 +/- 0.76   1.199% *  0.0822% (0.91   1.0  1.00   0.02   3.24) =   0.002%
          QB    LYS+  33 - QD1   ILE  103  13.62 +/- 1.92   0.213% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  14.54 +/- 2.45   0.185% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  16.30 +/- 2.61   0.153% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  15.00 +/- 2.43   0.168% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.61 +/- 2.54   0.067% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  14.56 +/- 2.37   0.219% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.99 +/- 3.44   0.121% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.82 +/- 1.63   0.106% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  18.42 +/- 2.76   0.092% *  0.0341% (0.38   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 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 216.0:
    * O T HB2   LEU  104 - HA    LEU  104   2.95 +/- 0.17  95.308% * 99.7433% (0.87  10.0 10.00   5.98 216.03) =  99.996%  kept
          QG2   VAL  108 - HA    LEU  104  10.76 +/- 0.49   2.045% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HA    LEU  104  13.77 +/- 3.13   1.396% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU  104  19.89 +/- 2.15   0.339% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  15.43 +/- 2.64   0.912% *  0.0201% (0.17   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 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.3, residual support = 216.0:
    * O T HB3   LEU  104 - HA    LEU  104   2.43 +/- 0.17  96.133% * 99.4463% (0.76  10.0 10.00   5.31 216.03) =  99.995%  kept
          QG1   VAL   70 - HA    LEU  104  11.71 +/- 2.09   1.336% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    LEU  104  13.51 +/- 2.20   0.845% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU  104  14.80 +/- 4.51   0.789% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  16.41 +/- 3.10   0.411% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  15.39 +/- 2.45   0.487% *  0.0535% (0.41   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 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.74, residual support = 216.0:
    * O T HG    LEU  104 - HA    LEU  104   3.00 +/- 0.42  74.784% * 99.5259% (1.00  10.0 10.00   5.74 216.03) =  99.984%  kept
          HB3   LYS+ 121 - HA    LEU  104  12.41 +/- 6.70   6.595% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.009%
          QG2   THR   26 - HA    LEU  104  17.21 +/- 5.01   9.321% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HA    LEU  104  12.74 +/- 7.16   5.918% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  66 - HA    LEU  104  17.77 +/- 4.68   1.170% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  19.07 +/- 3.12   0.466% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HA    LEU  104  17.65 +/- 4.31   1.137% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  21.17 +/- 2.05   0.260% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  20.40 +/- 2.88   0.349% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 216.0:
    *   T QD1   LEU  104 - HA    LEU  104   3.77 +/- 0.21  87.555% * 98.8828% (0.96 10.00   5.31 216.03) =  99.967%  kept
        T QD1   LEU   63 - HA    LEU  104  12.56 +/- 2.21   3.380% *  0.4212% (0.41 10.00   0.02   0.02) =   0.016%
        T QD1   LEU   73 - HA    LEU  104  14.36 +/- 2.70   2.371% *  0.4212% (0.41 10.00   0.02   0.02) =   0.012%
          QG1   VAL   83 - HA    LEU  104  15.33 +/- 3.72   1.955% *  0.0889% (0.87  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HA    LEU  104  14.00 +/- 2.40   2.147% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  104  18.02 +/- 3.56   1.166% *  0.0820% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU  104  15.66 +/- 2.03   1.426% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.958, support = 5.53, residual support = 204.2:
    *   T QD2   LEU  104 - HA    LEU  104   2.68 +/- 0.63  74.634% * 77.0395% (1.00 10.00   5.75 216.03) =  94.261%  kept
        T QD1   LEU   98 - HA    LEU  104   6.20 +/- 0.90  15.706% * 22.2183% (0.31 10.00   1.87  10.11) =   5.721%  kept
        T QG1   VAL   41 - HA    LEU  104   9.25 +/- 1.57   3.666% *  0.1525% (0.20 10.00   0.02   0.02) =   0.009%
        T QG2   VAL   18 - HA    LEU  104  16.93 +/- 3.53   0.768% *  0.4362% (0.56 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HA    LEU  104  10.37 +/- 2.30   3.829% *  0.0263% (0.34  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HA    LEU  104  16.27 +/- 3.32   0.928% *  0.0743% (0.96  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    LEU  104  16.41 +/- 2.08   0.470% *  0.0529% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 216.0:
    * O T HA    LEU  104 - HB2   LEU  104   2.95 +/- 0.17  98.150% * 99.7454% (0.87  10.0 10.00   5.98 216.03) =  99.999%  kept
          HA    GLU-  14 - HB2   LEU  104  21.48 +/- 4.21   0.407% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  19.25 +/- 3.54   0.452% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  16.83 +/- 3.41   0.691% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  24.57 +/- 4.74   0.300% *  0.0647% (0.56   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 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 = 216.0:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  97.250% * 99.4463% (0.66  10.0 10.00   5.40 216.03) =  99.997%  kept
          QG1   VAL   70 - HB2   LEU  104   9.55 +/- 2.10   1.084% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU  104  11.74 +/- 2.31   0.580% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU  104  13.24 +/- 4.42   0.462% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  104  14.58 +/- 3.09   0.225% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  12.78 +/- 2.58   0.399% *  0.0535% (0.36   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 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.96, residual support = 216.0:
    * O T HG    LEU  104 - HB2   LEU  104   2.66 +/- 0.25  75.459% * 99.5259% (0.87  10.0 10.00   5.96 216.03) =  99.981%  kept
          HB3   LYS+ 121 - HB2   LEU  104  10.93 +/- 6.61   8.806% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.012%
          HD2   LYS+ 121 - HB2   LEU  104  11.34 +/- 6.79   7.799% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  66 - HB2   LEU  104  15.45 +/- 4.66   1.687% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HB2   LEU  104  15.85 +/- 4.44   4.133% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HB2   LEU  104  16.27 +/- 3.67   1.149% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB2   LEU  104  17.97 +/- 3.20   0.342% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  18.96 +/- 2.10   0.291% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  17.72 +/- 2.92   0.333% *  0.0248% (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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.4, residual support = 216.0:
    * O T QD1   LEU  104 - HB2   LEU  104   2.28 +/- 0.25  94.335% * 98.8828% (0.84  10.0 10.00   5.40 216.03) =  99.983%  kept
        T QD1   LEU   63 - HB2   LEU  104  10.41 +/- 2.33   2.230% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.010%
        T QD1   LEU   73 - HB2   LEU  104  12.87 +/- 2.60   1.242% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HB2   LEU  104  12.48 +/- 2.50   0.920% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  104  14.61 +/- 3.51   0.523% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  17.02 +/- 3.38   0.341% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  14.85 +/- 1.88   0.408% *  0.0255% (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 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.862, support = 6.04, residual support = 214.1:
    * O T QD2   LEU  104 - HB2   LEU  104   2.97 +/- 0.34  72.560% * 93.7689% (0.87  10.0 10.00   6.06 216.03) =  99.070%  kept
          QD1   LEU   98 - HB2   LEU  104   6.16 +/- 0.97  11.614% *  5.3277% (0.27   1.0  1.00   3.68  10.11) =   0.901%  kept
        T QG1   VAL   41 - HB2   LEU  104   8.13 +/- 1.62   6.133% *  0.1856% (0.17   1.0 10.00   0.02   0.02) =   0.017%
        T QG2   VAL   18 - HB2   LEU  104  15.09 +/- 3.35   0.888% *  0.5309% (0.49   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   43 - HB2   LEU  104   9.13 +/- 2.31   7.059% *  0.0320% (0.30   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HB2   LEU  104  14.64 +/- 2.95   0.920% *  0.0905% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   LEU  104  14.88 +/- 2.14   0.826% *  0.0644% (0.60   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 216.0:
    * O T HA    LEU  104 - HB3   LEU  104   2.43 +/- 0.17  98.780% * 99.7454% (0.76  10.0 10.00   5.31 216.03) =  99.999%  kept
          HA    TRP   87 - HB3   LEU  104  17.82 +/- 3.71   0.552% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  20.24 +/- 3.81   0.299% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  22.39 +/- 4.64   0.215% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  25.42 +/- 5.17   0.155% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 216.0:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  98.744% * 99.7433% (0.66  10.0 10.00   5.40 216.03) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.35 +/- 0.77   0.387% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  12.54 +/- 3.42   0.479% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  13.95 +/- 2.92   0.295% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.16 +/- 2.59   0.095% *  0.0605% (0.40   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 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.24, residual support = 216.0:
    * O T HG    LEU  104 - HB3   LEU  104   2.90 +/- 0.15  67.756% * 99.5259% (0.76  10.0 10.00   5.24 216.03) =  99.973%  kept
          HB3   LYS+ 121 - HB3   LEU  104  11.00 +/- 6.89  12.019% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.018%
          HD2   LYS+ 121 - HB3   LEU  104  11.42 +/- 7.16   9.540% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   26 - HB3   LEU  104  16.73 +/- 5.06   7.177% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  66 - HB3   LEU  104  16.25 +/- 4.76   1.234% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HB3   LEU  104  17.03 +/- 4.42   1.388% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB3   LEU  104  18.73 +/- 3.18   0.334% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.40 +/- 2.25   0.230% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  18.85 +/- 3.04   0.323% *  0.0248% (0.19   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 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 216.0:
    * O T QD1   LEU  104 - HB3   LEU  104   2.51 +/- 0.36  94.400% * 98.8828% (0.74  10.0 10.00   5.00 216.03) =  99.985%  kept
        T QD1   LEU   63 - HB3   LEU  104  11.41 +/- 2.40   1.560% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   73 - HB3   LEU  104  14.06 +/- 2.68   1.207% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - HB3   LEU  104  15.63 +/- 3.66   0.814% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU  104  13.22 +/- 2.60   0.876% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  104  18.11 +/- 3.45   0.477% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  15.90 +/- 2.13   0.666% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.33, residual support = 215.7:
    * O T QD2   LEU  104 - HB3   LEU  104   2.43 +/- 0.40  87.346% * 96.8656% (0.76  10.0 10.00   5.34 216.03) =  99.847%  kept
          QD1   LEU   98 - HB3   LEU  104   6.94 +/- 0.91   5.384% *  2.2012% (0.24   1.0  1.00   1.47  10.11) =   0.140%  kept
        T QG2   VAL   18 - HB3   LEU  104  16.03 +/- 3.44   0.925% *  0.5484% (0.43   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   VAL   41 - HB3   LEU  104   9.00 +/- 1.68   2.240% *  0.1917% (0.15   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HB3   LEU  104  10.32 +/- 2.44   2.860% *  0.0330% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB3   LEU  104  15.51 +/- 3.31   0.838% *  0.0935% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   LEU  104  16.06 +/- 2.23   0.405% *  0.0665% (0.52   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.74, residual support = 216.0:
    * O T HA    LEU  104 - HG    LEU  104   3.00 +/- 0.42  97.551% * 99.7454% (1.00  10.0 10.00   5.74 216.03) =  99.998%  kept
          HA    TRP   87 - HG    LEU  104  16.80 +/- 3.74   0.890% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  21.46 +/- 4.79   0.521% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  18.90 +/- 4.05   0.576% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  24.49 +/- 5.01   0.463% *  0.0647% (0.65   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 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.96, residual support = 216.0:
    * O T HB2   LEU  104 - HG    LEU  104   2.66 +/- 0.25  96.554% * 99.7433% (0.87  10.0 10.00   5.96 216.03) =  99.998%  kept
          QG2   VAL  108 - HG    LEU  104  11.84 +/- 0.42   1.168% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HG    LEU  104  13.62 +/- 3.41   1.085% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HG    LEU  104  14.19 +/- 2.96   0.924% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  20.23 +/- 2.65   0.269% *  0.0605% (0.53   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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.24, residual support = 216.0:
    * O T HB3   LEU  104 - HG    LEU  104   2.90 +/- 0.15  90.844% * 99.4463% (0.76  10.0 10.00   5.24 216.03) =  99.988%  kept
          QG1   VAL   70 - HG    LEU  104  10.05 +/- 2.14   3.705% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HG    LEU  104  11.64 +/- 1.88   1.810% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HG    LEU  104  14.85 +/- 4.71   1.432% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  15.14 +/- 3.45   0.924% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  104  14.13 +/- 2.75   1.285% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 216.0:
    * O T QD1   LEU  104 - HG    LEU  104   2.10 +/- 0.01  96.916% * 98.8828% (0.97  10.0 10.00   5.24 216.03) =  99.992%  kept
        T QD1   LEU   63 - HG    LEU  104  11.65 +/- 2.42   0.895% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   73 - HG    LEU  104  12.92 +/- 2.65   0.674% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG    LEU  104  14.39 +/- 3.95   0.511% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.22 +/- 2.58   0.399% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  16.86 +/- 3.66   0.297% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  15.31 +/- 2.17   0.307% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 5.72, residual support = 214.4:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.02  79.529% * 94.6614% (1.00  10.0 10.00   5.74 216.03) =  99.184%  kept
          QD1   LEU   98 - HG    LEU  104   5.22 +/- 0.99  13.802% *  4.4267% (0.31   1.0  1.00   3.03  10.11) =   0.805%  kept
        T QG1   VAL   41 - HG    LEU  104   7.35 +/- 1.49   2.772% *  0.1873% (0.20   1.0 10.00   0.02   0.02) =   0.007%
        T QG2   VAL   18 - HG    LEU  104  15.61 +/- 3.71   0.317% *  0.5359% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HG    LEU  104   9.20 +/- 2.56   2.991% *  0.0323% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HG    LEU  104  14.81 +/- 3.11   0.339% *  0.0914% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  15.70 +/- 2.34   0.249% *  0.0650% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 216.0:
    *   T HA    LEU  104 - QD1   LEU  104   3.77 +/- 0.21  68.535% * 99.2875% (0.96 10.00   5.31 216.03) =  99.980%  kept
        T HA    LEU  104 - QD1   LEU   63  12.56 +/- 2.21   2.639% *  0.1829% (0.18 10.00   0.02   0.02) =   0.007%
        T HA    LEU  104 - QD1   LEU   73  14.36 +/- 2.70   1.862% *  0.1829% (0.18 10.00   0.02   0.02) =   0.005%
          HA    GLU-  14 - QD1   LEU  104  16.94 +/- 3.81   1.464% *  0.0760% (0.74  1.00   0.02   0.02) =   0.002%
          HA    ALA   12 - QD1   LEU   73  15.99 +/- 4.49   6.667% *  0.0119% (0.11  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  16.78 +/- 3.37   1.077% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU  104  15.04 +/- 3.11   1.458% *  0.0446% (0.43  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU  104  19.36 +/- 4.10   0.844% *  0.0644% (0.62  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU   73  13.98 +/- 4.16   3.249% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU   63  14.47 +/- 2.47   2.217% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  12.73 +/- 3.22   3.676% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  13.62 +/- 3.10   2.039% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  16.66 +/- 4.37   1.834% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  15.97 +/- 3.17   1.527% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  17.95 +/- 3.05   0.911% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.784, support = 5.28, residual support = 211.2:
    * O T HB2   LEU  104 - QD1   LEU  104   2.28 +/- 0.25  34.926% * 90.1042% (0.84  10.0 10.00   5.40 216.03) =  93.183%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  41.557% *  3.3505% (0.03  10.0 10.00   5.58 239.87) =   4.123%  kept
        T QD1   ILE  119 - QD1   LEU   63   5.61 +/- 2.39  17.729% *  5.0896% (0.10   1.0 10.00   0.94   0.38) =   2.672%  kept
        T QD1   ILE  119 - QD1   LEU  104  10.60 +/- 2.91   0.531% *  0.5881% (0.55   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LEU  104 - QD1   LEU   63  10.41 +/- 2.33   0.695% *  0.1660% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   63 - QD1   LEU  104  10.80 +/- 2.42   0.557% *  0.1819% (0.17   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE  119 - QD1   LEU   73  11.77 +/- 3.37   0.933% *  0.1083% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QD1   LEU   73  12.87 +/- 2.60   0.296% *  0.1660% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QD1   LEU  104  10.56 +/- 0.58   0.329% *  0.1002% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  10.45 +/- 1.97   0.435% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63  10.84 +/- 2.47   0.521% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.19 +/- 2.80   0.341% *  0.0185% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.81 +/- 2.78   0.602% *  0.0101% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.56 +/- 2.21   0.100% *  0.0547% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  15.71 +/- 4.00   0.448% *  0.0101% (0.09   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 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.681, support = 5.05, residual support = 217.0:
    * O T HB3   LEU  104 - QD1   LEU  104   2.51 +/- 0.36  27.898% * 85.3890% (0.74  10.0 10.00   5.00 216.03) =  91.454%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.61 +/- 0.35  24.926% *  8.4602% (0.07  10.0 10.00   5.83 239.87) =   8.096%  kept
          QG1   VAL   18 - QD1   LEU   73   8.49 +/- 5.53   4.476% *  1.3188% (0.16   1.0  1.00   1.43   0.59) =   0.227%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.61 +/- 2.37   0.771% *  3.2123% (0.07   1.0 10.00   0.76   0.02) =   0.095%
          QD1   LEU   71 - QD1   LEU   63   8.62 +/- 2.45   6.650% *  0.2969% (0.18   1.0  1.00   0.29   0.02) =   0.076%
          QG1   VAL   70 - QD1   LEU   63   4.93 +/- 1.96  13.822% *  0.0199% (0.17   1.0  1.00   0.02   0.02) =   0.011%
        T HB3   LEU   63 - QD1   LEU  104  10.77 +/- 2.29   0.558% *  0.4593% (0.40   1.0 10.00   0.02   0.02) =   0.010%
          QG1   VAL   70 - QD1   LEU  104   7.42 +/- 1.67   1.974% *  0.1078% (0.93   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU  123 - QD1   LEU   63   8.50 +/- 2.80   8.626% *  0.0204% (0.18   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - QD1   LEU   73   8.03 +/- 1.50   4.896% *  0.0204% (0.18   1.0  1.00   0.02   2.12) =   0.004%
          QD1   LEU   71 - QD1   LEU  104   8.89 +/- 1.72   0.880% *  0.1107% (0.96   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU  104 - QD1   LEU   63  11.41 +/- 2.40   0.423% *  0.1573% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD1   LEU  104  11.41 +/- 4.10   0.547% *  0.1107% (0.96   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QD1   LEU   73  14.06 +/- 2.68   0.333% *  0.1573% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU   63   8.04 +/- 2.62   1.678% *  0.0185% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU  104  11.96 +/- 2.68   0.303% *  0.1002% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   8.36 +/- 1.03   0.942% *  0.0199% (0.17   1.0  1.00   0.02   0.85) =   0.001%
          QD1   LEU  123 - QD1   LEU   73  14.62 +/- 3.02   0.296% *  0.0204% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 216.0:
    * O T HG    LEU  104 - QD1   LEU  104   2.10 +/- 0.01  51.081% * 98.9901% (0.97  10.0 10.00   5.24 216.03) =  99.976%  kept
          HB3   LYS+ 121 - QD1   LEU  104   9.98 +/- 5.86   5.480% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.011%
          HD2   LYS+ 121 - QD1   LEU  104  10.40 +/- 5.80   3.241% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   63  11.65 +/- 2.42   0.478% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   73  12.92 +/- 2.65   0.367% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU  104  12.57 +/- 3.67   0.707% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD1   LEU   73  11.04 +/- 2.75  10.397% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   73   7.25 +/- 4.45  10.995% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU   63   9.40 +/- 2.49   2.205% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  33 - QD1   LEU  104  12.50 +/- 3.41   1.022% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU   63   7.28 +/- 1.43   2.705% *  0.0125% (0.12   1.0  1.00   0.02   6.29) =   0.001%
          QG2   THR   26 - QD1   LEU  104  12.83 +/- 3.87   1.583% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU   73   8.23 +/- 1.16   1.146% *  0.0176% (0.17   1.0  1.00   0.02  43.08) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  15.92 +/- 2.45   0.188% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63  10.62 +/- 2.86   0.714% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.63 +/- 2.68   0.132% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73  10.19 +/- 4.34   1.380% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  12.42 +/- 2.92   0.432% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  11.27 +/- 2.86   1.868% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  16.14 +/- 4.41   0.355% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   7.66 +/- 1.01   1.346% *  0.0045% (0.04   1.0  1.00   0.02   3.33) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.13 +/- 4.46   0.285% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  14.63 +/- 2.38   0.195% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63  10.71 +/- 2.92   0.790% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  12.28 +/- 1.70   0.325% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  16.03 +/- 4.55   0.334% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.20 +/- 2.27   0.248% *  0.0068% (0.07   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 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 = 0.96, support = 5.44, residual support = 214.7:
    * O T QD2   LEU  104 - QD1   LEU  104   2.04 +/- 0.07  42.737% * 92.4965% (0.97  10.0 10.00   5.45 216.03) =  99.360%  kept
          QD1   LEU   98 - QD1   LEU  104   5.24 +/- 0.97   3.604% *  5.6564% (0.30   1.0  1.00   3.96  10.11) =   0.512%  kept
          QG1   VAL   43 - QD1   LEU   73   5.47 +/- 2.25   9.172% *  0.2824% (0.06   1.0  1.00   0.97   2.53) =   0.065%
        T QG1   VAL   41 - QD1   LEU  104   5.94 +/- 1.74   6.025% *  0.1830% (0.19   1.0 10.00   0.02   0.02) =   0.028%
          QG1   VAL   43 - QD1   LEU  104   7.86 +/- 2.39   8.688% *  0.0316% (0.33   1.0  1.00   0.02   0.02) =   0.007%
        T QG2   VAL   18 - QD1   LEU   73   8.53 +/- 4.89   2.727% *  0.0964% (0.10   1.0 10.00   0.02   0.59) =   0.007%
        T QG2   VAL   18 - QD1   LEU  104  12.38 +/- 2.92   0.297% *  0.5237% (0.55   1.0 10.00   0.02   0.02) =   0.004%
        T QG2   VAL   18 - QD1   LEU   63   8.44 +/- 2.24   1.268% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - QD1   LEU   73   7.68 +/- 5.04   6.994% *  0.0164% (0.17   1.0  1.00   0.02   5.02) =   0.003%
        T QD2   LEU  104 - QD1   LEU   63  10.20 +/- 2.06   0.559% *  0.1704% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QD2   LEU  104 - QD1   LEU   73  11.41 +/- 2.51   0.478% *  0.1704% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QD1   LEU   63   8.16 +/- 2.77   6.827% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   41 - QD1   LEU   73   7.10 +/- 1.79   2.067% *  0.0337% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QD1   LEU   73   7.98 +/- 2.03   3.019% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD1   LEU  104  11.74 +/- 2.65   0.352% *  0.0893% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   63   9.36 +/- 1.48   0.561% *  0.0337% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  13.02 +/- 1.97   0.190% *  0.0635% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.04 +/- 2.15   2.061% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63   9.80 +/- 1.86   0.609% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   8.81 +/- 2.58   1.197% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  10.36 +/- 2.22   0.567% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 216.0:
    *   T HA    LEU  104 - QD2   LEU  104   2.68 +/- 0.63  75.103% * 99.4871% (1.00 10.00   5.75 216.03) =  99.990%  kept
        T HA    LEU  104 - QG1   VAL   41   9.25 +/- 1.57   4.590% *  0.0534% (0.05 10.00   0.02   0.02) =   0.003%
        T HA    LEU  104 - QG2   VAL   18  16.93 +/- 3.53   0.787% *  0.1529% (0.15 10.00   0.02   0.02) =   0.002%
          HA    TRP   87 - QD2   LEU  104  14.73 +/- 3.00   1.970% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD2   LEU  104  16.42 +/- 3.26   1.084% *  0.0685% (0.69  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD2   LEU  104  18.25 +/- 4.24   0.765% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QG2   VAL   18   8.52 +/- 1.46   3.872% *  0.0117% (0.12  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG2   VAL   18  11.24 +/- 3.18   4.343% *  0.0099% (0.10  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD2   LEU  104  20.67 +/- 4.74   0.421% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.12 +/- 3.82   3.843% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  20.80 +/- 6.51   0.308% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  19.76 +/- 5.93   0.425% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  14.47 +/- 2.97   0.791% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  16.61 +/- 3.28   0.725% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  13.52 +/- 2.35   0.973% *  0.0024% (0.02  1.00   0.02   0.26) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.06, residual support = 216.0:
    * O T HB2   LEU  104 - QD2   LEU  104   2.97 +/- 0.34  70.129% * 99.4846% (0.87  10.0 10.00   6.06 216.03) =  99.987%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.13 +/- 1.62   5.978% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - QD2   LEU  104  10.51 +/- 0.59   1.717% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QG2   VAL   18  15.09 +/- 3.35   0.854% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - QD2   LEU  104  11.75 +/- 2.97   1.782% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   63 - QD2   LEU  104  12.38 +/- 2.47   1.404% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18  10.13 +/- 3.35   8.738% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  17.64 +/- 2.34   0.443% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18  11.06 +/- 2.80   2.572% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  15.75 +/- 3.27   0.726% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  17.05 +/- 4.28   0.756% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.43 +/- 1.08   1.135% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.89 +/- 2.66   1.680% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.26 +/- 1.75   1.756% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  18.74 +/- 1.94   0.330% *  0.0032% (0.03   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 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.63, support = 5.05, residual support = 186.2:
    * O T HB3   LEU  104 - QD2   LEU  104   2.43 +/- 0.40  33.525% * 83.3286% (0.76  10.0 10.00   5.34 216.03) =  78.651%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.03 +/- 0.06  50.417% * 15.0261% (0.14  10.0 10.00   4.00  76.25) =  21.329%  kept
        T QG1   VAL   18 - QD2   LEU  104  13.16 +/- 2.58   0.232% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   70 - QD2   LEU  104   8.66 +/- 1.62   0.916% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T QG1   VAL   18 - QG1   VAL   41  10.49 +/- 4.41   1.559% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU  104   9.96 +/- 1.70   0.616% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD2   LEU  104  12.45 +/- 4.07   0.415% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG1   VAL   41   9.00 +/- 1.68   0.815% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG2   VAL   18   9.08 +/- 3.00   1.721% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  12.74 +/- 3.91   1.591% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG2   VAL   18  16.03 +/- 3.44   0.204% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG1   VAL   41   6.03 +/- 1.91   3.302% *  0.0058% (0.05   1.0  1.00   0.02   2.84) =   0.001%
          QD1   LEU   71 - QG2   VAL   18  10.25 +/- 4.21   0.929% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.33 +/- 2.25   0.344% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.75 +/- 1.25   2.026% *  0.0057% (0.05   1.0  1.00   0.02   2.62) =   0.000%
          HB3   LEU   63 - QG2   VAL   18  10.53 +/- 3.02   0.747% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.55 +/- 3.49   0.249% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.26 +/- 1.71   0.393% *  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 = 5.74, residual support = 216.0:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.02  58.048% * 99.1878% (1.00  10.0 10.00   5.74 216.03) =  99.981%  kept
          HG2   LYS+  65 - QG2   VAL   18  10.44 +/- 5.26   9.868% *  0.0317% (0.04   1.0  1.00   0.17   0.02) =   0.005%
          HB3   LYS+ 121 - QD2   LEU  104  10.97 +/- 5.79   1.876% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  33 - QD2   LEU  104  13.14 +/- 4.05   3.771% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QG1   VAL   41   7.35 +/- 1.49   2.048% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QD2   LEU  104  11.26 +/- 6.03   1.971% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG2   VAL   18  10.50 +/- 6.45   3.425% *  0.0147% (0.15   1.0  1.00   0.02   1.26) =   0.001%
        T HG    LEU  104 - QG2   VAL   18  15.61 +/- 3.71   0.230% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD2   LEU  104  13.63 +/- 4.09   1.617% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD2   LEU  104  14.00 +/- 3.53   0.419% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.90 +/- 4.91   1.724% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.48 +/- 2.59   2.290% *  0.0092% (0.01   1.0  1.00   0.17   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   7.45 +/- 2.47   6.214% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.11 +/- 2.45   0.144% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  17.39 +/- 2.76   0.130% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18  11.62 +/- 3.63   0.754% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.80 +/- 2.10   2.062% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.21 +/- 2.27   0.153% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  11.96 +/- 2.97   0.515% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  16.08 +/- 4.91   0.551% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  14.88 +/- 4.85   0.475% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  18.92 +/- 4.08   0.137% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.14 +/- 1.88   0.384% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.00 +/- 2.09   0.386% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  14.99 +/- 4.67   0.476% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  19.30 +/- 2.37   0.087% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  13.99 +/- 1.91   0.244% *  0.0013% (0.01   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 216.0:
    * O T QD1   LEU  104 - QD2   LEU  104   2.04 +/- 0.07  69.947% * 98.4528% (0.97  10.0 10.00   5.45 216.03) =  99.971%  kept
        T QD1   LEU  104 - QG1   VAL   41   5.94 +/- 1.74   9.457% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   63 - QD2   LEU  104  10.20 +/- 2.06   0.964% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   73 - QD2   LEU  104  11.41 +/- 2.51   0.861% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - QG2   VAL   18   8.53 +/- 4.89   4.282% *  0.0644% (0.06   1.0 10.00   0.02   0.59) =   0.004%
        T QD1   LEU   63 - QG2   VAL   18   8.44 +/- 2.24   2.063% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QG1   VAL   41   7.10 +/- 1.79   3.379% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - QG2   VAL   18  12.38 +/- 2.92   0.493% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU  104  12.64 +/- 3.30   0.595% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  12.36 +/- 2.27   0.397% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  14.73 +/- 3.20   0.315% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.36 +/- 1.48   0.930% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  13.70 +/- 6.08   1.188% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  13.21 +/- 6.84   0.822% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  13.49 +/- 1.99   0.365% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  12.17 +/- 2.76   0.521% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41   9.82 +/- 3.21   1.212% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  11.07 +/- 3.44   1.102% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  14.29 +/- 4.93   0.440% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.56 +/- 1.61   0.276% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.88 +/- 1.16   0.392% *  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 = 3.13, residual support = 41.2:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.72 +/- 0.23  92.130% * 99.5527% (0.95  10.0 10.00   3.13  41.18) =  99.995%  kept
          HB2   MET   96 - HA    ASP- 105   8.70 +/- 0.90   3.513% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    ASP- 105  13.91 +/- 1.04   0.809% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    ASP- 105  12.60 +/- 3.46   1.467% *  0.0184% (0.18   1.0  1.00   0.02   0.12) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.60 +/- 1.68   0.378% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  21.18 +/- 1.81   0.225% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  14.63 +/- 1.84   0.781% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  22.35 +/- 4.12   0.321% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.13 +/- 4.01   0.377% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 41.2:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.72 +/- 0.23  94.652% * 99.7814% (0.95  10.0 10.00   3.13  41.18) =  99.996%  kept
          HB    THR   23 - HB2   ASP- 105  22.77 +/- 6.20   3.579% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   23 - HB2   ASP- 105  21.91 +/- 5.50   1.345% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - HB2   ASP- 105  21.87 +/- 2.12   0.219% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  21.76 +/- 2.03   0.205% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 0.997, support = 6.26, residual support = 132.7:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.36 +/- 0.16  82.269% * 82.5033% (1.00  10.0 10.00   6.30 135.46) =  97.535%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.88 +/- 0.49  10.142% * 16.8748% (0.87   1.0  1.00   4.72  21.95) =   2.459%  kept
          HB    ILE  103 - HA    LYS+ 106   7.30 +/- 1.01   3.322% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HA    LYS+ 106  13.82 +/- 1.92   0.580% *  0.0631% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    LYS+ 106  18.41 +/- 2.02   0.280% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.30 +/- 3.00   0.320% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  17.30 +/- 3.17   0.325% *  0.0631% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  17.48 +/- 1.33   0.223% *  0.0809% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.12 +/- 3.61   1.412% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.55 +/- 1.68   0.185% *  0.0780% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  13.39 +/- 1.03   0.507% *  0.0229% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.75 +/- 2.09   0.274% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  19.66 +/- 1.62   0.161% *  0.0500% (0.61   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 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 135.4:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.25 +/- 0.49  94.446% * 98.2431% (1.00  10.0 10.00   5.09 135.46) =  99.986%  kept
        T QG    LYS+  81 - HA    LYS+ 106  18.28 +/- 1.75   0.728% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  33 - HA    LYS+ 106  19.69 +/- 1.97   0.724% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HA    LYS+ 106  12.34 +/- 2.76   3.269% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  16.70 +/- 1.75   0.833% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 135.4:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.72 +/- 0.58  76.239% * 98.5750% (1.00 10.00   4.80 135.46) =  99.949%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.74 +/- 0.64   2.744% *  0.9836% (1.00 10.00   0.02   0.02) =   0.036%
          HB2   LEU   73 - HA    LYS+ 106  14.85 +/- 3.31   3.392% *  0.0932% (0.95  1.00   0.02   0.02) =   0.004%
          HB3   MET   92 - HA    LYS+ 106  12.58 +/- 1.05   2.287% *  0.0823% (0.84  1.00   0.02   0.02) =   0.003%
          QG1   ILE   56 - HA    LYS+ 106  11.22 +/- 1.59   3.712% *  0.0480% (0.49  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HA    LYS+ 106  13.80 +/- 1.86   2.161% *  0.0716% (0.73  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  11.33 +/- 0.64   3.178% *  0.0370% (0.38  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    LYS+ 106  13.17 +/- 1.58   1.982% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+ 106  11.38 +/- 1.36   3.192% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  16.76 +/- 2.80   1.113% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.44 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 = 0.967, support = 5.0, residual support = 120.6:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.41 +/- 0.52  48.782% * 87.0391% (1.00 10.00   5.13 135.46) =  88.039%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.66 +/- 0.84  45.009% * 12.8070% (0.73  1.00   4.05  10.88) =  11.952%  kept
          HB3   PHE   60 - HA    LYS+ 106  12.75 +/- 2.23   4.150% *  0.0823% (0.95  1.00   0.02   0.02) =   0.007%
          HB3   TRP   27 - HA    LYS+ 106  16.35 +/- 2.33   1.526% *  0.0598% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    LYS+ 106  20.28 +/- 2.04   0.532% *  0.0118% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.3, residual support = 135.5:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.36 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   6.30 135.46) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 135.4:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.32 +/- 0.12  97.738% * 98.2431% (1.00  10.0 10.00   5.37 135.46) =  99.995%  kept
        T QG    LYS+  81 - QB    LYS+ 106  16.35 +/- 1.90   0.342% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  33 - QB    LYS+ 106  18.84 +/- 2.03   0.212% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QB    LYS+ 106  11.36 +/- 2.47   1.388% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  16.39 +/- 1.56   0.320% *  0.0172% (0.18   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 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 135.4:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.27 +/- 0.22  91.717% * 97.1433% (1.00  10.0 10.00   5.07 135.46) =  99.976%  kept
        T QD    LYS+  99 - QB    LYS+ 106  11.57 +/- 0.66   0.816% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T HD2   LYS+ 111 - QB    LYS+ 106  12.42 +/- 1.65   0.790% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   ILE   56 - QB    LYS+ 106  11.38 +/- 1.21   0.917% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LEU  123 - QB    LYS+ 106  16.42 +/- 2.44   0.326% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QB    LYS+ 106  11.30 +/- 1.08   0.837% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  14.72 +/- 3.00   0.659% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QB    LYS+ 106   9.70 +/- 1.30   2.147% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QB    LYS+ 106  12.38 +/- 1.58   0.982% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  11.31 +/- 0.72   0.810% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.973, support = 5.07, residual support = 123.2:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.58 +/- 0.60  85.139% * 57.8731% (1.00 10.00   5.40 135.46) =  90.181%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.76 +/- 0.82  12.763% * 42.0245% (0.73 10.00   2.07  10.88) =   9.817%  kept
          HB3   PHE   60 - QB    LYS+ 106  13.22 +/- 1.83   1.251% *  0.0547% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QB    LYS+ 106  15.75 +/- 2.27   0.549% *  0.0398% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  19.09 +/- 2.18   0.298% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 135.4:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.25 +/- 0.49  98.485% * 99.1803% (1.00  10.0 10.00   5.09 135.46) =  99.994%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.69 +/- 1.97   0.756% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 106 - QG    LYS+  81  18.28 +/- 1.75   0.759% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.743, support = 5.46, residual support = 137.9:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.32 +/- 0.12  25.606% * 49.1567% (1.00  10.0 10.00   5.37 135.46) =  51.713%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.24 +/- 0.09  28.157% * 28.2013% (0.57  10.0 10.00   5.64 156.43) =  32.623%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.03  33.949% * 10.7918% (0.22  10.0 10.00   5.45 110.64) =  15.052%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.36 +/- 0.85   1.523% *  9.5511% (0.87   1.0  1.00   4.48  21.95) =   0.598%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.73 +/- 1.42   2.707% *  0.0394% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - HG2   LYS+  33  16.10 +/- 3.94   2.007% *  0.0228% (0.46   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  33   5.10 +/- 0.90   3.141% *  0.0123% (0.25   1.0  1.00   0.02   0.30) =   0.002%
        T QB    LYS+  81 - HG2   LYS+ 106  18.41 +/- 2.73   0.074% *  0.4905% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  18.77 +/- 1.95   0.053% *  0.4650% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  18.84 +/- 2.03   0.055% *  0.2981% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  22.13 +/- 5.09   0.041% *  0.2975% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - QG    LYS+  81  16.35 +/- 1.90   0.089% *  0.1082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.19 +/- 1.80   0.394% *  0.0181% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.21 +/- 2.49   0.662% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  20.52 +/- 4.63   0.052% *  0.1023% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  17.54 +/- 2.41   0.069% *  0.0482% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  16.39 +/- 2.02   0.084% *  0.0376% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.25 +/- 3.71   0.063% *  0.0376% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  18.60 +/- 3.05   0.084% *  0.0259% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.80 +/- 3.07   0.048% *  0.0411% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.35 +/- 1.90   0.134% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.17 +/- 3.39   0.076% *  0.0239% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.17 +/- 2.77   0.077% *  0.0202% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.18 +/- 2.31   0.045% *  0.0298% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  18.70 +/- 3.78   0.133% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.63 +/- 2.63   0.186% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.60 +/- 2.50   0.024% *  0.0228% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.50 +/- 3.56   0.017% *  0.0292% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  20.30 +/- 3.73   0.055% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  21.05 +/- 3.42   0.058% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.75 +/- 3.88   0.019% *  0.0249% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.58 +/- 2.86   0.051% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.80 +/- 5.91   0.089% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.54 +/- 1.92   0.035% *  0.0094% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.07 +/- 2.72   0.029% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.56 +/- 3.45   0.026% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.69 +/- 3.42   0.036% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.68 +/- 2.33   0.020% *  0.0066% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.68 +/- 3.17   0.029% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.15, residual support = 135.3:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.37 +/- 0.13  70.789% * 96.6493% (1.00  10.0 10.00   4.16 135.46) =  99.855%  kept
        T QD    LYS+  99 - HG2   LYS+  33  11.52 +/- 4.38  15.011% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.128%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  12.17 +/- 0.76   0.553% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 106 - HG2   LYS+  33  18.37 +/- 2.57   0.181% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HG2   LYS+  33  12.84 +/- 5.04   1.790% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QG    LYS+  81  16.19 +/- 2.45   0.335% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HG2   LYS+  33  12.64 +/- 4.05   2.298% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+ 106  14.76 +/- 2.55   1.197% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 106  13.73 +/- 1.91   0.495% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+ 106  16.17 +/- 2.97   0.327% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106   9.99 +/- 1.53   1.215% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  21.48 +/- 2.49   0.119% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.74 +/- 1.20   0.651% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  15.33 +/- 2.28   0.326% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  13.55 +/- 1.68   0.468% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  25.11 +/- 7.61   0.810% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.46 +/- 4.38   0.586% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  14.07 +/- 2.46   0.472% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  18.67 +/- 3.30   0.185% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  21.36 +/- 4.82   0.442% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.17 +/- 1.59   0.313% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.02 +/- 3.22   0.094% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  14.75 +/- 2.62   0.500% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  20.88 +/- 2.19   0.113% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  17.78 +/- 2.60   0.283% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.38 +/- 2.92   0.073% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  29.73 +/- 3.12   0.041% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  22.45 +/- 2.86   0.110% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  20.41 +/- 3.67   0.161% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  28.19 +/- 3.60   0.061% *  0.0095% (0.10   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 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.997, support = 4.45, residual support = 134.1:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.64 +/- 0.43  77.244% * 92.4962% (1.00  10.0 10.00   4.48 135.46) =  98.933%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.00 +/- 1.35  11.975% *  6.3851% (0.73   1.0  1.00   1.90  10.88) =   1.059%  kept
        T QE    LYS+ 106 - HG2   LYS+  33  18.80 +/- 2.08   0.285% *  0.5610% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 106 - QG    LYS+  81  16.45 +/- 3.02   0.659% *  0.2035% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HG2   LYS+ 106  15.34 +/- 2.57   1.072% *  0.0875% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  33   9.62 +/- 1.21   2.217% *  0.0385% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+ 106  16.90 +/- 2.96   0.500% *  0.0635% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.67 +/- 2.90   0.680% *  0.0407% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   8.33 +/- 0.64   3.014% *  0.0076% (0.08   1.0  1.00   0.02   4.82) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  20.04 +/- 2.62   0.304% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  15.36 +/- 6.84   1.154% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  19.01 +/- 3.19   0.318% *  0.0193% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  20.03 +/- 1.86   0.221% *  0.0148% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  20.24 +/- 2.88   0.205% *  0.0125% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  24.33 +/- 4.29   0.149% *  0.0028% (0.03   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 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.4:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.72 +/- 0.58  96.521% * 99.1942% (0.99 10.00   4.80 135.46) =  99.971%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.74 +/- 0.64   3.479% *  0.8058% (0.81 10.00   0.02   0.02) =   0.029%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.99, support = 5.05, residual support = 134.5:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.27 +/- 0.22  56.370% * 83.5002% (0.99  10.0 10.00   5.07 135.46) =  99.177%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.73 +/- 0.90   2.675% * 13.5810% (0.86   1.0  1.00   3.75  21.95) =   0.766%  kept
          QB    LYS+  33 - QD    LYS+  99  10.59 +/- 3.63  12.637% *  0.0642% (0.76   1.0  1.00   0.02   0.02) =   0.017%
          HB    ILE  103 - QD    LYS+ 106   5.25 +/- 1.19   6.386% *  0.0669% (0.79   1.0  1.00   0.02   0.02) =   0.009%
        T QB    LYS+ 106 - QD    LYS+  99  11.57 +/- 0.66   0.463% *  0.6783% (0.81   1.0 10.00   0.02   0.02) =   0.007%
          HB3   GLN   30 - QD    LYS+  99  11.65 +/- 4.39  10.031% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.006%
        T HB    ILE   56 - QD    LYS+ 106  14.94 +/- 2.15   0.411% *  0.6381% (0.76   1.0 10.00   0.02   0.02) =   0.006%
          HG3   PRO   68 - QD    LYS+  99  12.12 +/- 4.05   3.941% *  0.0518% (0.62   1.0  1.00   0.02   0.02) =   0.004%
        T HB    ILE   56 - QD    LYS+  99  18.81 +/- 3.45   0.168% *  0.5184% (0.62   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - QD    LYS+  99   8.14 +/- 1.81   1.985% *  0.0411% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD    LYS+  99   8.89 +/- 0.98   1.163% *  0.0588% (0.70   1.0  1.00   0.02   0.34) =   0.001%
          HB    ILE  103 - QD    LYS+  99   9.88 +/- 0.78   0.776% *  0.0543% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+ 106  16.19 +/- 2.63   0.350% *  0.0833% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD    LYS+ 106  15.11 +/- 2.14   0.299% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD    LYS+ 106  12.32 +/- 1.80   0.568% *  0.0232% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.20 +/- 1.89   0.157% *  0.0790% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  17.98 +/- 3.31   0.192% *  0.0638% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.49 +/- 2.95   0.148% *  0.0697% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  15.75 +/- 2.74   0.245% *  0.0343% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.58 +/- 2.14   0.138% *  0.0506% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  21.48 +/- 2.24   0.076% *  0.0677% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  23.30 +/- 4.07   0.084% *  0.0567% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.23 +/- 3.42   0.282% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  24.27 +/- 1.73   0.051% *  0.0665% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  18.40 +/- 4.06   0.315% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  21.95 +/- 1.89   0.088% *  0.0189% (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 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.15, residual support = 135.3:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.37 +/- 0.13  79.683% * 96.1045% (0.99  10.0 10.00   4.16 135.46) =  99.853%  kept
        T HG2   LYS+  33 - QD    LYS+  99  11.52 +/- 4.38  16.974% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.132%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  12.17 +/- 0.76   0.623% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.006%
        T QG    LYS+  81 - QD    LYS+ 106  16.19 +/- 2.45   0.378% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  33 - QD    LYS+ 106  18.37 +/- 2.57   0.204% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QD    LYS+  99  21.48 +/- 2.49   0.134% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD    LYS+  99  18.27 +/- 3.28   0.889% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  12.76 +/- 2.28   0.704% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.69 +/- 2.05   0.284% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  21.04 +/- 2.31   0.127% *  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 = 3.29, residual support = 135.1:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  84.705% * 93.4970% (0.99  10.0 10.00   3.29 135.46) =  99.717%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.43 +/- 1.00   4.026% *  5.3887% (0.72   1.0  1.00   1.59  10.88) =   0.273%  kept
        T QE    LYS+ 106 - QD    LYS+  99  11.80 +/- 1.12   0.517% *  0.7595% (0.81   1.0 10.00   0.02   0.02) =   0.005%
          HB3   TRP   27 - QD    LYS+  99  14.22 +/- 4.44   2.990% *  0.0522% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.77 +/- 1.15   2.576% *  0.0552% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - QD    LYS+ 106  14.06 +/- 2.20   0.458% *  0.0884% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  99  10.09 +/- 3.20   3.907% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    LYS+  99  15.70 +/- 3.40   0.360% *  0.0718% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.39 +/- 2.89   0.305% *  0.0642% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.55 +/- 2.79   0.155% *  0.0127% (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 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.13, residual support = 135.5:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.41 +/- 0.52 100.000% *100.0000% (1.00 10.00   5.13 135.46) = 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 = 0.989, support = 5.25, residual support = 126.4:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.58 +/- 0.60  67.742% * 53.2542% (1.00 10.00   5.40 135.46) =  91.998%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   7.08 +/- 0.81   6.702% * 46.1942% (0.87 10.00   3.62  21.95) =   7.895%  kept
          HB    ILE  103 - QE    LYS+ 106   5.04 +/- 1.51  21.021% *  0.1928% (0.80  1.00   0.09   0.02) =   0.103%  kept
          QB    LYS+  81 - QE    LYS+ 106  16.42 +/- 3.18   0.707% *  0.0531% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QE    LYS+ 106  15.41 +/- 2.65   0.467% *  0.0522% (0.98  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  15.57 +/- 2.23   0.445% *  0.0407% (0.76  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.54 +/- 1.48   0.297% *  0.0504% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  20.23 +/- 2.95   0.301% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.87 +/- 1.99   0.746% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  18.58 +/- 3.01   0.258% *  0.0407% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.94 +/- 2.29   0.258% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.21 +/- 2.27   0.375% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  17.91 +/- 3.46   0.680% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 135.4:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.64 +/- 0.43  96.846% * 98.2431% (1.00  10.0 10.00   4.48 135.46) =  99.988%  kept
        T QG    LYS+  81 - QE    LYS+ 106  16.45 +/- 3.02   0.831% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  33 - QE    LYS+ 106  18.80 +/- 2.08   0.359% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - QE    LYS+ 106  13.25 +/- 2.92   1.528% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  17.33 +/- 2.06   0.436% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.29, residual support = 135.4:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  93.715% * 98.5861% (0.99  10.0 10.00   3.29 135.46) =  99.991%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.80 +/- 1.12   0.572% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          HB3   MET   92 - QE    LYS+ 106  12.45 +/- 2.05   0.648% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QE    LYS+ 106  13.82 +/- 2.48   1.337% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  14.19 +/- 2.23   0.514% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   8.69 +/- 1.36   1.585% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  11.52 +/- 1.24   0.637% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  15.40 +/- 2.66   0.313% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  12.95 +/- 1.82   0.489% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  18.15 +/- 3.07   0.190% *  0.0373% (0.38   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 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   2.93 +/- 0.08  90.864% * 99.6302% (0.73  10.0 10.00   3.31  60.10) =  99.996%  kept
          QE    LYS+ 112 - HA    VAL  107  10.01 +/- 2.01   4.304% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HA    VAL  107  11.59 +/- 1.65   1.822% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    VAL  107  10.75 +/- 1.61   2.142% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  19.83 +/- 1.65   0.333% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.77 +/- 1.71   0.205% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.31 +/- 1.06   0.329% *  0.0272% (0.20   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 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   2.93 +/- 0.08  91.485% * 99.7511% (0.73  10.0 10.00   3.31  60.10) =  99.996%  kept
          HA    ALA  110 - HB    VAL  107   8.55 +/- 1.72   5.795% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB    VAL  107  14.46 +/- 0.73   0.794% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB    VAL  107  18.08 +/- 2.03   0.477% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  14.83 +/- 2.45   0.907% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  16.37 +/- 0.78   0.544% *  0.0222% (0.16   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 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 65.0:
    * O T HB    VAL  108 - HA    VAL  108   2.64 +/- 0.34  93.435% * 99.4465% (1.00  10.0 10.00   3.58  65.00) =  99.994%  kept
          HB2   PRO   93 - HA    VAL  108   9.23 +/- 1.98   4.181% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HA    VAL  108  13.65 +/- 2.04   1.034% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    VAL  108  16.59 +/- 1.98   0.507% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    VAL  108  21.17 +/- 1.94   0.217% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.31 +/- 0.74   0.174% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.80 +/- 2.28   0.195% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.11 +/- 2.09   0.193% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  33.96 +/- 5.72   0.065% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
    * O T QG1   VAL  108 - HA    VAL  108   2.62 +/- 0.11  97.370% * 99.8607% (1.00  10.0 10.00   3.97  65.00) =  99.999%  kept
          HB3   LEU   63 - HA    VAL  108  14.95 +/- 3.04   0.879% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   40 - HA    VAL  108  13.84 +/- 1.33   0.755% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.65 +/- 2.64   0.533% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  17.76 +/- 4.26   0.462% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T QG2   VAL  108 - HA    VAL  108   2.66 +/- 0.51  94.980% * 99.7938% (1.00  10.0 10.00   3.30  65.00) =  99.997%  kept
          QD1   ILE  119 - HA    VAL  108  11.52 +/- 1.52   1.470% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    VAL  108  10.36 +/- 1.92   2.674% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL  108  13.74 +/- 0.48   0.876% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.98 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   2.64 +/- 0.34  84.858% * 96.1481% (1.00  10.0 10.00   3.58  65.00) =  99.530%  kept
          HA1   GLY  109 - HB    VAL  108   5.63 +/- 0.25  10.312% *  3.7058% (0.31   1.0  1.00   2.50   7.39) =   0.466%  kept
          HA    ALA   47 - HB    VAL  108  14.64 +/- 3.84   2.696% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   50 - HB    VAL  108  16.68 +/- 3.39   0.911% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  18.55 +/- 4.52   1.223% *  0.0190% (0.20   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 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 = 65.0:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  98.803% * 99.8607% (1.00  10.0 10.00   3.74  65.00) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  16.36 +/- 3.00   0.338% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  14.11 +/- 1.40   0.387% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.42 +/- 2.90   0.267% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  18.61 +/- 4.05   0.205% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 65.0:
    * O T QG2   VAL  108 - HB    VAL  108   2.13 +/- 0.00  97.966% * 99.1471% (1.00  10.0 10.00   3.29  65.00) =  99.995%  kept
        T QD1   ILE  119 - HB    VAL  108  12.77 +/- 1.57   0.532% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - HB    VAL  108  13.08 +/- 0.38   0.430% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.36 +/- 2.04   1.073% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.983, support = 3.95, residual support = 63.6:
    * O T HA    VAL  108 - QG1   VAL  108   2.62 +/- 0.11  62.081% * 95.2117% (1.00  10.0 10.00   3.97  65.00) =  97.569%  kept
          HA1   GLY  109 - QG1   VAL  108   3.34 +/- 0.26  31.637% *  4.6436% (0.31   1.0  1.00   3.16   7.39) =   2.425%  kept
          HA    ALA   47 - QG1   VAL  108  12.20 +/- 3.40   2.904% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   49 - QG1   VAL  108  15.14 +/- 4.04   2.213% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QG1   VAL  108  13.78 +/- 2.91   1.165% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 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 = 65.0:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  96.289% * 99.4465% (1.00  10.0 10.00   3.74  65.00) =  99.997%  kept
          HB2   PRO   93 - QG1   VAL  108   9.51 +/- 1.96   2.394% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QG1   VAL  108  13.42 +/- 1.74   0.459% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  15.68 +/- 2.10   0.303% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  19.37 +/- 1.83   0.140% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.71 +/- 0.67   0.123% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.95 +/- 2.04   0.132% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.77 +/- 1.81   0.112% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  30.44 +/- 4.98   0.048% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.02  96.608% * 99.7938% (1.00  10.0 10.00   3.44  65.00) =  99.998%  kept
          HG3   LYS+ 112 - QG1   VAL  108  10.39 +/- 1.83   2.312% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL  108  11.50 +/- 1.29   0.661% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.83 +/- 0.32   0.419% *  0.0963% (0.97   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 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 3.29, residual support = 64.5:
    * O T HA    VAL  108 - QG2   VAL  108   2.66 +/- 0.51  67.161% * 96.3202% (1.00  10.0 10.00   3.30  65.00) =  99.213%  kept
          HA1   GLY  109 - QG2   VAL  108   5.05 +/- 0.37  14.330% *  3.5335% (0.31   1.0  1.00   2.38   7.39) =   0.777%  kept
          HA    ALA   47 - QG2   VAL  108  12.30 +/- 3.52   3.559% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HA    CYS   50 - QG2   VAL  108  14.02 +/- 3.41   5.658% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    TRP   49 - QG2   VAL  108  15.57 +/- 4.12   9.291% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.17 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 = 65.0:
    * O T HB    VAL  108 - QG2   VAL  108   2.13 +/- 0.00  96.497% * 98.6316% (1.00  10.0 10.00   3.29  65.00) =  99.992%  kept
        T HB    ILE  119 - QG2   VAL  108  12.59 +/- 1.88   0.573% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          HB2   PRO   93 - QG2   VAL  108   9.51 +/- 1.68   1.830% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   VAL  108  15.76 +/- 2.28   0.377% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  17.83 +/- 1.70   0.183% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.69 +/- 0.72   0.173% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.44 +/- 1.76   0.165% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  19.27 +/- 2.02   0.146% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  29.08 +/- 4.61   0.057% *  0.0133% (0.14   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 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.02  98.045% * 99.8607% (1.00  10.0 10.00   3.44  65.00) =  99.999%  kept
          HB3   LEU   63 - QG2   VAL  108  13.63 +/- 2.43   0.518% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  11.67 +/- 1.12   0.649% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.42 +/- 2.37   0.442% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  15.48 +/- 3.52   0.346% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  98.843% * 98.9563% (1.00  10.0 10.00   2.00   9.36) =  99.995%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.50 +/- 4.95   0.534% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          HA    THR  118 - HA1   GLY  109  13.32 +/- 2.50   0.317% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  16.53 +/- 2.44   0.148% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  15.72 +/- 1.95   0.158% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.35:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  93.067% * 94.0055% (1.00  10.0 10.00   2.00   9.36) =  99.729%  kept
          HA    VAL  108 - HA2   GLY  109   4.41 +/- 0.05   5.837% *  3.9863% (0.31   1.0  1.00   2.75   7.39) =   0.265%  kept
        T HA    TRP   49 - HA2   GLY  109  17.08 +/- 4.92   0.266% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T HA    CYS   50 - HA2   GLY  109  15.03 +/- 3.34   0.251% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   47 - HA2   GLY  109  14.58 +/- 4.14   0.482% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  24.69 +/- 3.02   0.041% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  20.83 +/- 0.58   0.056% *  0.0458% (0.49   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 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.58:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.01  96.903% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.994%  kept
        T QB    ALA   61 - HA    ALA  110  13.67 +/- 2.53   0.499% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   73 - HA    ALA  110  19.21 +/- 5.54   0.785% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  21.12 +/- 3.94   0.259% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.12 +/- 4.07   0.318% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  18.16 +/- 3.41   0.242% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  19.17 +/- 4.45   0.264% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  17.29 +/- 2.84   0.230% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  21.24 +/- 3.93   0.137% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  24.45 +/- 3.42   0.083% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.00 +/- 1.55   0.208% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  24.03 +/- 1.89   0.073% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.58:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.01  82.344% * 98.8162% (1.00  10.0 10.00   1.31   9.58) =  99.989%  kept
        T HA    ALA  110 - QB    ALA   61  13.67 +/- 2.53   0.426% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  107 - QB    ALA  110   7.33 +/- 1.59   5.456% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   55 - QB    ALA  110  10.86 +/- 3.38   1.361% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QB    ALA   61  10.40 +/- 3.05   5.572% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QB    ALA   61   9.56 +/- 1.70   1.437% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA  110  13.58 +/- 2.65   0.446% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QB    ALA  110  11.12 +/- 3.03   1.398% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  16.73 +/- 3.22   0.273% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  12.73 +/- 2.40   0.636% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.70 +/- 1.51   0.279% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.30 +/- 2.84   0.373% *  0.0145% (0.15   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 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 = 313.7:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.65 +/- 0.28  78.863% * 97.2493% (1.00  10.0 10.00   7.98 315.03) =  99.564%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.60 +/- 0.73  19.040% *  1.7553% (0.57   1.0  1.00   0.64   0.24) =   0.434%  kept
        T HG3   GLN   30 - HA    LYS+ 111  25.10 +/- 2.56   0.109% *  0.4734% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LYS+ 111  12.23 +/- 1.13   0.953% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  23.45 +/- 3.39   0.177% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  26.08 +/- 3.57   0.112% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  26.85 +/- 3.21   0.100% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  22.27 +/- 4.00   0.238% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  28.71 +/- 4.26   0.090% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.16 +/- 2.97   0.128% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  24.70 +/- 2.33   0.115% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.74 +/- 1.56   0.075% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.29 +/- 0.44  74.133% * 99.2615% (1.00  10.0 10.00   7.31 315.03) =  99.986%  kept
          HB3   PRO   93 - HA    LYS+ 111   9.10 +/- 3.25  14.312% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   88 - HA    LYS+ 111  15.47 +/- 2.92   3.206% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HA    LYS+ 111  13.53 +/- 2.72   1.825% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LYS+ 111  15.16 +/- 2.48   1.078% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+ 111  13.02 +/- 3.00   2.707% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  21.25 +/- 3.32   0.436% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LYS+ 111  18.74 +/- 1.62   0.544% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  16.24 +/- 2.12   0.874% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.71 +/- 1.67   0.207% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.46 +/- 2.12   0.391% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  26.21 +/- 2.09   0.177% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  30.16 +/- 1.63   0.111% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.986, support = 7.28, residual support = 308.6:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.84 +/- 0.73  80.600% * 89.5883% (1.00  10.0 10.00   7.31 315.03) =  97.756%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.13 +/- 1.29  16.772% *  9.8613% (0.38   1.0  1.00   5.87  28.47) =   2.239%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  18.00 +/- 3.88   0.786% *  0.3362% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          HG12  ILE   89 - HA    LYS+ 111  15.86 +/- 2.03   0.715% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HA    LYS+ 111  23.23 +/- 3.76   0.343% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  23.31 +/- 3.76   0.371% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.46 +/- 1.56   0.193% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.65 +/- 2.76   0.220% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 314.8:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.33 +/- 0.84  64.206% * 98.3525% (1.00 10.00   6.21 315.03) =  99.942%  kept
          HG3   PRO   93 - HA    LYS+ 111   9.56 +/- 3.82  15.468% *  0.0853% (0.87  1.00   0.02   0.02) =   0.021%
          HB3   MET   92 - HA    LYS+ 111  10.13 +/- 3.11  11.127% *  0.0964% (0.98  1.00   0.02   0.02) =   0.017%
        T QD    LYS+  65 - HA    LYS+ 111  17.17 +/- 3.89   4.361% *  0.1518% (0.15 10.00   0.02   0.02) =   0.010%
        T QD    LYS+ 102 - HA    LYS+ 111  21.95 +/- 1.63   0.338% *  0.6756% (0.69 10.00   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HA    LYS+ 111  12.86 +/- 1.27   1.761% *  0.0714% (0.73  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 111  19.94 +/- 5.03   0.994% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 111  17.43 +/- 1.84   0.700% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 111  26.74 +/- 1.61   0.167% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  21.38 +/- 1.41   0.337% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  20.62 +/- 2.99   0.541% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.15 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   3.83 +/- 0.84  78.057% * 98.5544% (1.00 10.00   6.21 315.03) =  99.955%  kept
        T QD    LYS+  65 - HA    LYS+ 111  17.17 +/- 3.89   8.774% *  0.2457% (0.25 10.00   0.02   0.02) =   0.028%
          QB    ALA   57 - HA    LYS+ 111  11.59 +/- 2.14   8.041% *  0.0983% (1.00  1.00   0.02   0.02) =   0.010%
        T QD    LYS+  33 - HA    LYS+ 111  26.13 +/- 2.33   0.306% *  0.8839% (0.90 10.00   0.02   0.02) =   0.004%
          HB3   LEU  123 - HA    LYS+ 111  18.42 +/- 2.09   1.234% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+ 111  18.53 +/- 3.96   1.277% *  0.0823% (0.84  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.90 +/- 1.22   1.397% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  20.62 +/- 2.99   0.913% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.32 +/- 0.53  95.872% * 99.8490% (1.00 10.00   5.62 315.03) =  99.996%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.78 +/- 2.30   3.580% *  0.0945% (0.95  1.00   0.02   0.02) =   0.004%
          HB2   CYS   21 - HA    LYS+ 111  23.50 +/- 3.60   0.548% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.04 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   2.65 +/- 0.28  98.178% * 99.7221% (1.00  10.0 10.00   7.98 315.03) =  99.999%  kept
          HA    PRO   52 - HB2   LYS+ 111  12.80 +/- 3.92   1.532% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG3   GLN   30  25.10 +/- 2.56   0.137% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.43 +/- 3.86   0.153% *  0.0130% (0.13   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 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 = 0.996, support = 7.3, residual support = 313.8:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.75 +/- 0.25  74.758% * 94.3494% (1.00  10.0 10.00   7.31 315.03) =  99.531%  kept
          HB2   LEU   31 - HG3   GLN   30   7.26 +/- 1.09   7.065% *  4.6367% (0.20   1.0  1.00   4.93  52.86) =   0.462%  kept
          HB3   PRO   93 - HB2   LYS+ 111  10.63 +/- 3.19   2.676% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HG3   GLN   30  13.78 +/- 4.37   3.679% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+ 111  15.77 +/- 2.73   0.632% *  0.0788% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+ 111  14.76 +/- 2.76   0.642% *  0.0685% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+ 111  16.42 +/- 2.74   0.626% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  26.32 +/- 3.33   0.103% *  0.1896% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.45 +/- 3.33   0.219% *  0.0871% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  17.24 +/- 8.37   1.084% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.19 +/- 1.60   0.299% *  0.0534% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.20 +/- 2.96   1.023% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  17.31 +/- 2.07   0.395% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  21.65 +/- 6.76   1.177% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  14.86 +/- 2.98   0.773% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.35 +/- 1.22   0.733% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.76 +/- 3.17   0.726% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.42 +/- 3.47   1.172% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  25.00 +/- 2.28   0.112% *  0.0846% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  21.06 +/- 2.68   0.199% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.96 +/- 2.43   0.085% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.62 +/- 2.47   0.061% *  0.0755% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  17.33 +/- 4.84   0.531% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  19.73 +/- 3.71   0.285% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  15.39 +/- 3.59   0.689% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  19.94 +/- 2.87   0.255% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.995, support = 7.28, residual support = 312.5:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.85 +/- 0.17  64.258% * 88.3787% (1.00  10.0 10.00   7.29 315.03) =  99.125%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.33 +/- 1.01   4.815% * 10.3006% (0.38   1.0  1.00   6.21  28.47) =   0.866%  kept
        T HG2   LYS+  74 - HB2   LYS+ 111  19.37 +/- 3.71   0.341% *  0.3317% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG3   GLN   30  13.72 +/- 4.74   1.190% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HB2   LYS+ 111  23.99 +/- 4.26   0.187% *  0.3633% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   GLN   30   9.95 +/- 3.81   5.773% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   GLN   30   7.84 +/- 3.73  11.622% *  0.0035% (0.04   1.0  1.00   0.02   4.00) =   0.001%
          HG3   LYS+  99 - HG3   GLN   30  14.16 +/- 5.00   5.832% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG3   GLN   30  10.47 +/- 3.45   4.660% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  17.07 +/- 2.08   0.372% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HB2   LYS+ 111  25.26 +/- 3.21   0.121% *  0.1749% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  26.18 +/- 3.21   0.100% *  0.1776% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.99 +/- 4.22   0.190% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  20.21 +/- 4.32   0.289% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  24.68 +/- 2.26   0.114% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  23.90 +/- 3.35   0.136% *  0.0067% (0.08   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 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   2.76 +/- 0.66  58.280% * 97.6852% (1.00  10.0 10.00   6.62 315.03) =  99.966%  kept
          HG3   PRO   93 - HB2   LYS+ 111  11.14 +/- 3.90   6.108% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.009%
          HB3   MET   92 - HB2   LYS+ 111  11.66 +/- 3.27   3.284% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   73 - HG3   GLN   30   9.60 +/- 6.17  16.417% *  0.0176% (0.18   1.0  1.00   0.02   4.06) =   0.005%
        T QD    LYS+  65 - HB2   LYS+ 111  17.87 +/- 3.50   1.002% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   GLN   30  16.89 +/- 4.60   0.760% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HB2   LYS+ 111  22.12 +/- 2.43   0.148% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HG3   GLN   30  23.22 +/- 7.15   4.269% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   GLN   30  12.51 +/- 4.16   4.772% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB2   LYS+ 111  21.04 +/- 5.28   0.636% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HB2   LYS+ 111  13.27 +/- 1.71   0.714% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  13.21 +/- 1.20   0.771% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB2   LYS+ 111  16.89 +/- 1.80   0.323% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  21.84 +/- 3.39   0.164% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  27.09 +/- 2.51   0.083% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  26.61 +/- 3.47   0.125% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  15.37 +/- 3.51   0.607% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  21.56 +/- 1.99   0.165% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  16.79 +/- 2.96   0.375% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.79 +/- 2.97   0.189% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.65 +/- 3.61   0.141% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  17.18 +/- 7.67   0.669% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.98, support = 6.47, residual support = 307.2:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.05 +/- 0.41  63.043% * 92.1301% (1.00  10.0 10.00   6.62 315.03) =  97.526%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.19 +/- 1.15  23.545% *  6.2279% (0.18   1.0 10.00   0.75   0.30) =   2.462%  kept
        T QD    LYS+  65 - HB2   LYS+ 111  17.87 +/- 3.50   1.005% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HB2   LYS+ 111  12.40 +/- 2.16   1.775% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HB2   LYS+ 111  26.66 +/- 2.69   0.115% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HG3   GLN   30  23.85 +/- 7.47   2.414% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HB2   LYS+ 111  17.88 +/- 1.93   0.410% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  15.37 +/- 3.51   0.662% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   LYS+ 111  19.85 +/- 3.81   0.347% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  27.28 +/- 3.49   0.114% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  13.83 +/- 4.30   1.245% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.63 +/- 3.75   0.906% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  15.52 +/- 1.79   0.597% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  20.37 +/- 5.94   2.459% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.79 +/- 2.97   0.251% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  17.18 +/- 7.67   1.114% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.09 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   3.43 +/- 0.77  71.513% * 99.6189% (1.00 10.00   6.05 315.03) =  99.992%  kept
          HB2   CYS   21 - HG3   GLN   30   7.73 +/- 3.42  25.286% *  0.0113% (0.11  1.00   0.02   0.02) =   0.004%
          HB2   PHE   45 - HB2   LYS+ 111  14.21 +/- 2.08   1.757% *  0.0942% (0.95  1.00   0.02   0.02) =   0.002%
        T QE    LYS+ 111 - HG3   GLN   30  24.39 +/- 2.51   0.300% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB2   LYS+ 111  24.22 +/- 3.69   0.370% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  17.94 +/- 3.63   0.774% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 5.03 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   3.29 +/- 0.44  97.341% * 99.9354% (1.00  10.0 10.00   7.31 315.03) =  99.998%  kept
          HA    PRO   52 - HG2   LYS+ 111  12.84 +/- 4.11   2.659% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 7.31, residual support = 314.8:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.75 +/- 0.25  77.041% * 98.7756% (1.00  10.0 10.00   7.31 315.03) =  99.939%  kept
          QB    GLU- 114 - HG2   LYS+ 111   5.33 +/- 1.25  21.162% *  0.2134% (0.57   1.0  1.00   0.08   0.24) =   0.059%
        T HG3   GLN   30 - HG2   LYS+ 111  26.32 +/- 3.33   0.107% *  0.4808% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   LYS+ 111  13.68 +/- 0.87   0.688% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  24.92 +/- 4.11   0.175% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  27.50 +/- 3.78   0.104% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  23.73 +/- 4.67   0.237% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  28.07 +/- 3.47   0.092% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  29.86 +/- 4.92   0.088% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.42 +/- 3.32   0.119% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.92 +/- 3.06   0.107% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  28.81 +/- 2.80   0.078% *  0.0275% (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 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  98.082% * 89.3001% (1.00  10.0 10.00   6.98 315.03) =  99.843%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.20 +/- 1.53   1.495% *  9.0806% (0.38   1.0  1.00   5.42  28.47) =   0.155%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  16.86 +/- 2.47   0.142% *  0.8851% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.78 +/- 3.62   0.096% *  0.3352% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  25.57 +/- 2.63   0.035% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.72 +/- 4.36   0.056% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  24.73 +/- 4.43   0.057% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.93 +/- 3.26   0.037% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.9:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.86 +/- 0.21  82.550% * 97.1375% (1.00  10.0 10.00   6.21 315.03) =  99.967%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  13.54 +/- 2.26   1.159% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.010%
          HG3   PRO   93 - HG2   LYS+ 111  11.15 +/- 4.32   8.948% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.009%
          HB3   MET   92 - HG2   LYS+ 111  11.44 +/- 3.53   3.642% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG2   LYS+ 111  18.66 +/- 4.28   2.132% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HG2   LYS+ 111  22.64 +/- 2.78   0.207% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG2   LYS+ 111  22.38 +/- 2.30   0.195% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HG2   LYS+ 111  21.63 +/- 5.14   0.459% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.75 +/- 2.75   0.106% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.47 +/- 1.86   0.339% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.79 +/- 3.31   0.262% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 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   2.47 +/- 0.22  95.270% * 97.8296% (1.00  10.0 10.00   6.21 315.03) =  99.989%  kept
        T QD    LYS+  65 - HG2   LYS+ 111  18.66 +/- 4.28   2.373% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.006%
        T HD2   LYS+  74 - HG2   LYS+ 111  20.32 +/- 3.82   0.250% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG2   LYS+ 111  13.00 +/- 2.31   1.225% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+ 111  27.19 +/- 3.01   0.086% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  19.47 +/- 1.90   0.223% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  16.98 +/- 1.79   0.388% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.79 +/- 3.31   0.184% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.83 +/- 0.43  97.575% * 99.8490% (1.00  10.0 10.00   5.62 315.03) =  99.998%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.30 +/- 2.60   2.177% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - HG2   LYS+ 111  24.65 +/- 3.82   0.249% *  0.0565% (0.57   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 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   2.84 +/- 0.73  95.090% * 99.8218% (1.00  10.0 10.00   7.31 315.03) =  99.997%  kept
          HA    PRO   52 - HG3   LYS+ 111  12.94 +/- 4.04   2.233% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - HG2   LYS+  74  18.00 +/- 3.88   0.916% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - HG2   LYS+  74  16.36 +/- 4.63   1.760% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 7.28, residual support = 314.8:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.85 +/- 0.17  66.357% * 98.0904% (1.00  10.0 10.00   7.29 315.03) =  99.923%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.09 +/- 1.25  21.586% *  0.2119% (0.57   1.0  1.00   0.08   0.24) =   0.070%
        T HB    ILE   19 - HG2   LYS+  74  12.46 +/- 6.61   2.720% *  0.0510% (0.05   1.0 10.00   0.02   7.69) =   0.002%
        T HG3   GLN   30 - HG2   LYS+  74  13.72 +/- 4.74   1.229% *  0.0510% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HG3   LYS+ 111  25.37 +/- 3.35   0.116% *  0.4775% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  26.18 +/- 3.21   0.100% *  0.4775% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG2   LYS+  74  19.37 +/- 3.71   0.332% *  0.1048% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG3   LYS+ 111  13.65 +/- 0.94   0.633% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  24.92 +/- 3.67   0.135% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  15.39 +/- 5.78   1.109% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  27.48 +/- 3.73   0.105% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  28.04 +/- 3.47   0.088% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  14.37 +/- 3.32   0.894% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  29.69 +/- 4.68   0.089% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  23.74 +/- 4.25   0.179% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  14.24 +/- 3.64   1.129% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  17.72 +/- 4.42   0.432% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  17.23 +/- 3.65   0.431% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.49 +/- 3.34   0.553% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.74 +/- 2.95   0.103% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  13.66 +/- 3.64   0.962% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.53 +/- 2.59   0.073% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.47 +/- 3.57   0.441% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.31 +/- 2.83   0.205% *  0.0029% (0.03   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 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  87.298% * 98.9181% (1.00  10.0 10.00   6.98 315.03) =  99.997%  kept
          HB3   PRO   93 - HG3   LYS+ 111  10.35 +/- 3.64   2.187% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+  74   6.73 +/- 1.96   3.348% *  0.0077% (0.08   1.0  1.00   0.02   4.74) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  15.52 +/- 3.13   0.559% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  14.90 +/- 3.13   0.240% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.50 +/- 2.82   1.406% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  16.72 +/- 2.46   0.135% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.78 +/- 3.62   0.086% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.20 +/- 2.49   0.094% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.69 +/- 3.29   0.484% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.91 +/- 3.71   0.076% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  11.11 +/- 2.70   0.585% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  20.88 +/- 2.20   0.060% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  16.58 +/- 2.38   0.134% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  19.48 +/- 1.90   0.071% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  11.14 +/- 2.30   0.872% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  25.65 +/- 2.41   0.030% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  21.28 +/- 2.95   0.059% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.17 +/- 2.58   0.025% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.78 +/- 0.84   1.144% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  14.90 +/- 2.75   0.357% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  16.22 +/- 2.19   0.131% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.10 +/- 2.59   0.017% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.31 +/- 1.26   0.368% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.39 +/- 2.34   0.179% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  21.77 +/- 3.19   0.055% *  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   2.69 +/- 0.24  65.322% * 94.6592% (1.00  10.0 10.00   5.40 315.03) =  99.772%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.76 +/- 0.91   5.386% *  2.1612% (0.10   1.0  1.00   4.76  43.08) =   0.188%  kept
          HB3   MET   92 - HG3   LYS+ 111  10.71 +/- 3.69   6.879% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.010%
        T QD    LYS+ 106 - HG3   LYS+ 111  13.14 +/- 1.89   0.832% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HG3   PRO   93 - HG3   LYS+ 111  10.67 +/- 4.23   6.663% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.009%
        T QD    LYS+  65 - HG3   LYS+ 111  18.61 +/- 4.20   1.513% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG2   LYS+  74   9.91 +/- 3.58   6.856% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.30 +/- 2.47   0.144% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+ 111  22.24 +/- 1.97   0.134% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG2   LYS+  74  17.16 +/- 2.59   0.463% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  74  15.46 +/- 1.88   0.431% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG3   LYS+ 111  21.31 +/- 5.30   0.342% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.01 +/- 4.74   0.272% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.50 +/- 1.90   0.259% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.56 +/- 2.47   0.070% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  12.51 +/- 2.73   1.982% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.67 +/- 2.19   0.180% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  18.97 +/- 2.78   0.251% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  14.32 +/- 1.98   0.571% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.21 +/- 3.44   0.209% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.67 +/- 2.36   1.059% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.77 +/- 3.85   0.184% *  0.0091% (0.10   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.927, support = 5.41, residual support = 304.6:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.86 +/- 0.22  44.543% * 89.7666% (1.00  10.0 10.00   5.40 315.03) =  91.943%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.89 +/- 0.15  43.609% *  8.0133% (0.09  10.0 10.00   5.54 186.64) =   8.036%  kept
        T QD    LYS+  65 - HG3   LYS+ 111  18.61 +/- 4.20   2.045% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.011%
        T HD2   LYS+  74 - HG3   LYS+ 111  20.05 +/- 4.01   0.210% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG2   LYS+  74   9.91 +/- 3.58   3.627% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG3   LYS+ 111  13.11 +/- 2.31   0.902% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 111  27.07 +/- 2.84   0.059% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+  74  16.18 +/- 3.10   0.315% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  74  11.46 +/- 4.23   2.630% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.71 +/- 4.55   0.217% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.52 +/- 2.03   0.164% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.80 +/- 1.75   0.233% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.21 +/- 3.44   0.169% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.67 +/- 2.36   0.957% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.59 +/- 4.10   0.126% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.99 +/- 2.87   0.196% *  0.0027% (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 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   2.45 +/- 0.44  89.431% * 99.7265% (1.00  10.0 10.00   5.44 315.03) =  99.997%  kept
          HB2   PHE   45 - HG3   LYS+ 111  13.69 +/- 2.75   1.236% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - HG2   LYS+  74  18.28 +/- 3.75   0.423% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+  74  12.38 +/- 7.74   6.756% *  0.0060% (0.06   1.0  1.00   0.02   9.07) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   9.92 +/- 1.26   1.979% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.64 +/- 3.84   0.173% *  0.0565% (0.57   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 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   3.33 +/- 0.84  85.372% * 99.4172% (1.00 10.00   6.21 315.03) =  99.980%  kept
        T HA    LYS+ 111 - QD    LYS+  65  17.17 +/- 3.89   8.736% *  0.1523% (0.15 10.00   0.02   0.02) =   0.016%
          HA    PRO   52 - HD2   LYS+ 111  13.56 +/- 4.17   2.784% *  0.0643% (0.65  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+ 102  21.95 +/- 1.63   0.447% *  0.2599% (0.26 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  65  15.96 +/- 3.42   1.966% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  26.74 +/- 1.61   0.222% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.36 +/- 3.94   0.286% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  28.41 +/- 3.12   0.186% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 314.8:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.76 +/- 0.66  46.481% * 97.7913% (1.00  10.0 10.00   6.62 315.03) =  99.924%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.25 +/- 1.46  13.045% *  0.2113% (0.57   1.0  1.00   0.08   0.24) =   0.061%
        T HB2   LYS+ 111 - QD    LYS+  65  17.87 +/- 3.50   1.190% *  0.1498% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   GLN   30 - QD    LYS+ 102  16.89 +/- 4.60   0.612% *  0.1244% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD    LYS+  65  13.40 +/- 4.79   3.813% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  26.61 +/- 3.47   0.097% *  0.4760% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+ 102   7.96 +/- 1.56   4.792% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  15.37 +/- 3.51   0.452% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+ 102  22.12 +/- 2.43   0.115% *  0.2557% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65  14.84 +/- 4.49   1.657% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65  10.01 +/- 1.40   1.729% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  13.21 +/- 1.20   0.595% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  38   8.16 +/- 3.54  10.373% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.77 +/- 1.70   2.476% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.03 +/- 3.94   0.149% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.73 +/- 0.94   0.461% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  14.35 +/- 3.99   1.440% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  20.16 +/- 5.31   0.320% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  23.85 +/- 4.40   0.193% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  27.51 +/- 4.10   0.077% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.49 +/- 4.22   0.548% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.44 +/- 4.30   0.964% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.12 +/- 2.54   0.820% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  30.14 +/- 5.32   0.079% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  27.95 +/- 3.83   0.064% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  13.66 +/- 3.82   0.795% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.64 +/- 3.83   0.110% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.09 +/- 2.51   0.065% *  0.0736% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  22.32 +/- 4.86   0.180% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  21.13 +/- 2.89   0.196% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.16 +/- 4.70   0.173% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  17.50 +/- 2.25   0.255% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  15.86 +/- 4.22   0.612% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  14.16 +/- 3.59   1.011% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  20.08 +/- 4.16   0.224% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  20.12 +/- 2.86   0.241% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  16.80 +/- 3.56   0.331% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  26.14 +/- 3.33   0.103% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.20 +/- 1.83   0.603% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.83 +/- 2.20   0.059% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  19.57 +/- 2.60   0.240% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.48 +/- 2.80   0.431% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  12.50 +/- 1.36   0.804% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.28 +/- 2.32   0.333% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  20.62 +/- 3.99   0.196% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  20.90 +/- 2.46   0.154% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  22.04 +/- 2.57   0.133% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.08 +/- 4.48   0.210% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.916, support = 6.16, residual support = 306.5:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.86 +/- 0.21  24.539% * 90.8110% (1.00  10.0 10.00   6.21 315.03) =  91.114%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.42 +/- 0.16  39.381% *  5.4729% (0.06  10.0 10.00   5.75 220.97) =   8.812%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  11.01 +/- 4.51   3.374% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.039%
        T HG2   LYS+  99 - QD    LYS+ 102   8.92 +/- 1.09   0.929% *  0.2129% (0.23   1.0 10.00   0.02   1.66) =   0.008%
        T HG2   LYS+  99 - QD    LYS+  38   8.33 +/- 2.21   2.375% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+ 111 - QD    LYS+  65  18.66 +/- 4.28   0.457% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QD    LYS+  65  10.43 +/- 3.69   6.291% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  38 - QD    LYS+ 102  14.71 +/- 3.36   0.287% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   88 - HD2   LYS+ 111  16.25 +/- 3.42   1.242% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD    LYS+  65  13.40 +/- 5.03   9.390% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.91 +/- 2.24   0.035% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.61 +/- 0.78   1.578% *  0.0116% (0.13   1.0  1.00   0.02   3.33) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  15.49 +/- 3.70   0.268% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   7.68 +/- 1.25   1.546% *  0.0106% (0.12   1.0  1.00   0.02   2.21) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  17.96 +/- 2.25   0.115% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  22.64 +/- 2.78   0.060% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.38 +/- 2.28   0.020% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD2   LYS+ 111  17.01 +/- 2.83   0.171% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  19.25 +/- 2.42   0.097% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  14.20 +/- 3.84   0.332% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.39 +/- 4.11   0.538% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  22.66 +/- 4.39   0.083% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  10.67 +/- 2.14   0.868% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.31 +/- 3.13   0.160% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.39 +/- 1.83   0.089% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  19.61 +/- 5.88   0.242% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.25 +/- 4.24   0.235% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.63 +/- 2.97   0.029% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.41 +/- 4.04   1.210% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  14.74 +/- 2.93   0.237% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.77 +/- 2.89   0.062% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.16 +/- 2.67   0.764% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  19.87 +/- 4.79   0.101% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  19.46 +/- 7.23   0.554% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.75 +/- 2.75   0.031% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.34 +/- 1.70   0.116% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.42 +/- 4.66   0.304% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  19.01 +/- 1.82   0.089% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.75 +/- 2.33   0.115% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.10 +/- 3.91   0.315% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  16.28 +/- 2.58   0.173% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.65 +/- 3.05   0.157% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  19.85 +/- 2.38   0.128% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  16.82 +/- 2.61   0.160% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.09 +/- 2.44   0.132% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  16.12 +/- 2.03   0.150% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.27 +/- 1.71   0.109% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  21.75 +/- 3.06   0.063% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.80 +/- 2.50   0.080% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.33 +/- 1.71   0.073% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  23.14 +/- 1.76   0.050% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.63 +/- 1.95   0.099% *  0.0011% (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 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.996, support = 5.39, residual support = 313.2:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.69 +/- 0.24  63.051% * 90.8407% (1.00  10.0 10.00   5.40 315.03) =  99.375%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.33 +/- 1.90   4.659% *  7.4508% (0.38   1.0  1.00   4.37  28.47) =   0.602%  kept
        T HG2   LYS+  74 - QD    LYS+  65   9.91 +/- 3.58   6.564% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  99 - QD    LYS+ 102   8.77 +/- 1.69   3.930% *  0.0810% (0.09   1.0 10.00   0.02   1.66) =   0.006%
        T HG3   LYS+ 111 - QD    LYS+  65  18.61 +/- 4.20   1.709% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  99 - QD    LYS+  38   8.82 +/- 2.23   4.945% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.01 +/- 4.74   0.265% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.30 +/- 2.47   0.138% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+ 111  17.08 +/- 3.06   0.357% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.62 +/- 2.15   0.083% *  0.3099% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.67 +/- 2.19   0.173% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.23 +/- 2.73   2.063% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  17.96 +/- 2.38   0.268% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  18.40 +/- 4.78   0.836% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.20 +/- 2.94   3.024% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  17.08 +/- 3.57   0.382% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  14.58 +/- 3.68   1.408% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.61 +/- 2.49   1.150% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  18.97 +/- 2.78   0.239% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.77 +/- 2.44   1.875% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  24.91 +/- 4.19   0.125% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  24.93 +/- 4.12   0.127% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.56 +/- 2.47   0.067% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  17.36 +/- 2.15   0.289% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  17.00 +/- 2.24   0.303% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  13.91 +/- 4.43   0.940% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.06 +/- 3.56   0.084% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  23.18 +/- 2.39   0.120% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.93 +/- 3.61   0.200% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.78 +/- 2.60   0.119% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.84 +/- 3.07   0.430% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  25.91 +/- 2.06   0.076% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.32 +/- 0.12  86.310% * 99.2899% (1.00  10.0 10.00   4.97 315.03) =  99.995%  kept
          HB2   PHE   45 - QD    LYS+  65  14.31 +/- 4.74   9.926% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+ 111 - QD    LYS+  65  17.53 +/- 3.89   0.865% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   45 - HD2   LYS+ 111  14.54 +/- 3.58   0.873% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+ 102  20.67 +/- 2.16   0.137% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.05 +/- 5.34   0.904% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.39 +/- 2.24   0.275% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  24.99 +/- 4.40   0.109% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.65 +/- 1.73   0.069% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  20.26 +/- 3.62   0.195% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.51 +/- 2.49   0.213% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.35 +/- 1.63   0.125% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.9:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   3.83 +/- 0.84  83.401% * 98.7339% (1.00 10.00   6.21 315.03) =  99.965%  kept
        T HA    LYS+ 111 - QD    LYS+  65  17.17 +/- 3.89   9.267% *  0.2444% (0.25 10.00   0.02   0.02) =   0.027%
        T HA    LYS+ 111 - QD    LYS+  33  26.13 +/- 2.33   0.329% *  0.8848% (0.90 10.00   0.02   0.02) =   0.004%
          HA    PRO   52 - HD3   LYS+ 111  13.56 +/- 4.57   3.926% *  0.0639% (0.65  1.00   0.02   0.02) =   0.003%
          HA    PRO   52 - QD    LYS+  65  15.96 +/- 3.42   2.728% *  0.0158% (0.16  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  33  26.68 +/- 3.03   0.348% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.965, support = 6.26, residual support = 296.0:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.05 +/- 0.41  35.944% * 83.1480% (1.00  10.0 10.00   6.62 315.03) =  93.957%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.19 +/- 1.15  13.567% * 13.6005% (0.44   1.0 10.00   0.75   0.30) =   5.801%  kept
          HB2   GLN   30 - QD    LYS+  33   5.52 +/- 0.67   7.517% *  0.6221% (0.20   1.0  1.00   0.75   0.30) =   0.147%  kept
          QB    GLU- 114 - HD3   LYS+ 111   5.87 +/- 1.42   8.449% *  0.1796% (0.57   1.0  1.00   0.08   0.24) =   0.048%
          QB    GLU-  15 - QD    LYS+  33  10.10 +/- 4.70   6.589% *  0.0739% (0.89   1.0  1.00   0.02   0.02) =   0.015%
          HB2   GLN   17 - QD    LYS+  33  12.04 +/- 4.14   2.528% *  0.0739% (0.89   1.0  1.00   0.02   0.02) =   0.006%
          HB    ILE   19 - QD    LYS+  33   9.36 +/- 3.31   3.712% *  0.0363% (0.44   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LYS+ 111 - QD    LYS+  65  17.87 +/- 3.50   0.590% *  0.2058% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - QD    LYS+  65  14.84 +/- 4.49   4.995% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - QD    LYS+  65  13.40 +/- 4.79   3.941% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QD    LYS+  33  11.98 +/- 4.41   2.723% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD    LYS+  33  15.03 +/- 3.34   0.871% *  0.0646% (0.78   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  33  26.66 +/- 2.69   0.065% *  0.7451% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD    LYS+  33  12.49 +/- 1.51   0.584% *  0.0668% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  15.37 +/- 3.51   0.373% *  0.1002% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  33  15.04 +/- 3.01   0.986% *  0.0306% (0.37   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  27.28 +/- 3.49   0.064% *  0.4047% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65  10.01 +/- 1.40   1.224% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  65   9.77 +/- 1.70   1.534% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  25.65 +/- 4.41   0.098% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  14.29 +/- 0.87   0.371% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  13.66 +/- 3.82   0.655% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  28.27 +/- 4.21   0.073% *  0.0824% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.12 +/- 2.54   0.510% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  21.96 +/- 2.74   0.125% *  0.0422% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.49 +/- 4.22   0.279% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  30.69 +/- 5.42   0.066% *  0.0746% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  28.65 +/- 3.87   0.057% *  0.0824% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  24.46 +/- 4.87   0.127% *  0.0342% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.31 +/- 3.85   0.077% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  21.88 +/- 4.52   0.173% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.20 +/- 1.83   0.546% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.48 +/- 2.80   0.344% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  26.84 +/- 3.39   0.070% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  29.57 +/- 2.49   0.044% *  0.0231% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  20.90 +/- 2.46   0.130% *  0.0057% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.47 +/- 0.22  57.607% * 93.6470% (1.00  10.0 10.00   6.21 315.03) =  99.825%  kept
          HB2   LEU   31 - QD    LYS+  33   7.68 +/- 0.65   2.346% *  3.5174% (0.89   1.0  1.00   0.85   0.94) =   0.153%  kept
          HG2   LYS+  99 - QD    LYS+  33  11.64 +/- 3.79   2.433% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 111 - QD    LYS+  65  18.66 +/- 4.28   0.622% *  0.2318% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QD    LYS+  65  10.43 +/- 3.69   7.254% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD    LYS+  33   9.18 +/- 1.32   1.480% *  0.0672% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD    LYS+  65  13.40 +/- 5.03  12.308% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HD3   LYS+ 111  11.80 +/- 4.21   2.434% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  33  20.25 +/- 7.14   1.243% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HD3   LYS+ 111  16.68 +/- 3.25   1.289% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.61 +/- 0.78   2.715% *  0.0194% (0.21   1.0  1.00   0.02   3.33) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  17.96 +/- 2.25   0.212% *  0.2079% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  27.19 +/- 3.01   0.052% *  0.8392% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  19.25 +/- 2.42   0.172% *  0.1856% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD3   LYS+ 111  16.30 +/- 3.56   0.386% *  0.0680% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.29 +/- 2.81   0.569% *  0.0376% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.28 +/- 2.19   0.289% *  0.0701% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  19.02 +/- 6.03   0.242% *  0.0775% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.62 +/- 3.01   0.230% *  0.0782% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.89 +/- 2.21   0.223% *  0.0609% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.25 +/- 4.24   0.475% *  0.0214% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.32 +/- 4.28   0.105% *  0.0864% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.00 +/- 3.77   0.613% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  19.78 +/- 1.69   0.133% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.80 +/- 2.85   0.217% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.41 +/- 4.04   1.872% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  18.53 +/- 3.20   0.182% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  20.26 +/- 2.45   0.127% *  0.0376% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  26.63 +/- 2.46   0.055% *  0.0840% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  16.28 +/- 2.58   0.347% *  0.0131% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.75 +/- 2.33   0.191% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.39 +/- 2.95   0.044% *  0.0928% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.42 +/- 4.66   0.386% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.53 +/- 2.85   0.092% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.10 +/- 3.91   0.470% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  17.05 +/- 2.16   0.227% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.80 +/- 2.25   0.106% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.15 +/- 2.72   0.031% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.09 +/- 2.44   0.219% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.991, support = 5.38, residual support = 311.0:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.86 +/- 0.22  53.325% * 90.2657% (1.00  10.0 10.00   5.40 315.03) =  98.594%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   8.67 +/- 1.76   8.996% *  7.4059% (0.38   1.0  1.00   4.37  28.47) =   1.365%  kept
        T HG3   LYS+ 111 - QD    LYS+  65  18.61 +/- 4.20   2.789% *  0.2235% (0.25   1.0 10.00   0.02   0.02) =   0.013%
          HG    LEU   71 - QD    LYS+  33   9.76 +/- 3.70  10.620% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.007%
        T HG2   LYS+  74 - QD    LYS+  65   9.91 +/- 3.58   4.134% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LEU   71 - QD    LYS+  33   9.67 +/- 3.51   3.666% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  33  16.18 +/- 3.10   0.404% *  0.3036% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.71 +/- 4.55   0.277% *  0.3388% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QD    LYS+  33   9.16 +/- 3.94   5.062% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - QD    LYS+  33  12.17 +/- 4.10   2.735% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  33  27.07 +/- 2.84   0.073% *  0.8089% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  17.71 +/- 2.89   0.361% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD    LYS+  65  17.96 +/- 2.38   0.271% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.23 +/- 2.73   1.778% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  18.40 +/- 4.78   0.781% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  14.58 +/- 3.68   2.034% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  21.68 +/- 2.77   0.146% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.61 +/- 2.49   0.984% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.64 +/- 4.31   0.117% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  13.91 +/- 4.43   1.072% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  25.63 +/- 4.28   0.117% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  25.08 +/- 2.82   0.094% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  26.33 +/- 2.38   0.076% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  26.77 +/- 3.68   0.088% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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   2.43 +/- 0.12  82.766% * 98.5534% (1.00  10.0 10.00   4.97 315.03) =  99.990%  kept
          HB2   PHE   45 - QD    LYS+  65  14.31 +/- 4.74  12.907% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.004%
        T QE    LYS+ 111 - QD    LYS+  65  17.53 +/- 3.89   1.103% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+ 111 - QD    LYS+  33  25.12 +/- 2.30   0.084% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    LYS+  33  11.02 +/- 2.75   1.327% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  15.31 +/- 3.20   0.642% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  33  19.85 +/- 2.23   0.166% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.05 +/- 5.34   0.903% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  25.51 +/- 4.42   0.102% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.32 +/- 0.53  95.687% * 99.9354% (1.00 10.00   5.62 315.03) =  99.997%  kept
          HA    PRO   52 - QE    LYS+ 111  12.05 +/- 3.91   4.313% *  0.0646% (0.65  1.00   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.0:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.43 +/- 0.77  71.696% * 98.9314% (1.00 10.00   6.05 315.03) =  99.976%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.68 +/- 1.14  23.965% *  0.0560% (0.57  1.00   0.02   0.24) =   0.019%
        T HG3   GLN   30 - QE    LYS+ 111  24.39 +/- 2.51   0.289% *  0.4816% (0.49 10.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QE    LYS+ 111  23.30 +/- 3.40   0.415% *  0.0858% (0.87  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QE    LYS+ 111  13.44 +/- 1.09   1.458% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  25.45 +/- 3.49   0.293% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  25.81 +/- 3.28   0.259% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  27.16 +/- 4.39   0.260% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.27 +/- 3.89   0.518% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.63 +/- 3.02   0.330% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  23.96 +/- 2.53   0.314% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.53 +/- 1.73   0.203% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.83 +/- 0.43  81.073% * 99.2615% (1.00  10.0 10.00   5.62 315.03) =  99.991%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.95 +/- 3.54   7.606% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QE    LYS+ 111  14.02 +/- 3.07   3.746% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QE    LYS+ 111  14.38 +/- 2.64   0.883% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QE    LYS+ 111  20.12 +/- 3.96   0.572% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QE    LYS+ 111  12.71 +/- 3.38   3.417% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QE    LYS+ 111  16.19 +/- 2.27   0.616% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QE    LYS+ 111  15.09 +/- 2.77   0.921% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.30 +/- 1.92   0.456% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  24.02 +/- 1.79   0.161% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  20.03 +/- 2.50   0.316% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.21 +/- 2.23   0.142% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.93 +/- 1.76   0.091% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.997, support = 5.44, residual support = 313.7:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.45 +/- 0.44  93.498% * 91.1956% (1.00  10.0 10.00   5.44 315.03) =  99.545%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   8.09 +/- 1.31   4.700% *  8.2442% (0.38   1.0  1.00   4.82  28.47) =   0.452%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  18.28 +/- 3.75   0.450% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - QE    LYS+ 111  14.83 +/- 2.63   0.641% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QE    LYS+ 111  23.04 +/- 3.40   0.212% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  23.11 +/- 3.36   0.189% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.78 +/- 1.77   0.148% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.10 +/- 2.82   0.163% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.9:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.32 +/- 0.12  78.719% * 98.3525% (1.00  10.0 10.00   4.97 315.03) =  99.973%  kept
          HB3   MET   92 - QE    LYS+ 111   9.93 +/- 3.75  12.081% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.015%
          HG3   PRO   93 - QE    LYS+ 111  10.02 +/- 4.07   6.825% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.008%
        T QD    LYS+  65 - QE    LYS+ 111  17.53 +/- 3.89   0.738% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+ 111  20.67 +/- 2.16   0.126% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QE    LYS+ 111  12.59 +/- 1.67   0.598% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QE    LYS+ 111  19.97 +/- 4.65   0.275% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.65 +/- 1.73   0.063% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.73 +/- 1.86   0.205% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.86 +/- 1.59   0.114% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.50 +/- 3.76   0.258% *  0.0195% (0.20   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 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   2.43 +/- 0.12  95.878% * 98.5544% (1.00  10.0 10.00   4.97 315.03) =  99.993%  kept
        T QD    LYS+  65 - QE    LYS+ 111  17.53 +/- 3.89   1.568% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   57 - QE    LYS+ 111  12.56 +/- 2.19   1.095% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - QE    LYS+ 111  25.12 +/- 2.30   0.099% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+ 111  18.69 +/- 3.87   0.349% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.59 +/- 2.14   0.301% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  16.31 +/- 1.17   0.348% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.50 +/- 3.76   0.363% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 238.2:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.65 +/- 0.22  86.276% * 98.3538% (1.00  10.0 10.00   6.00 238.19) =  99.986%  kept
        T HB    VAL   42 - HA    LYS+ 112  15.43 +/- 2.25   0.559% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HA    LYS+ 112   8.37 +/- 2.63   6.909% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   73 - HA    LYS+ 112  17.35 +/- 4.36   1.072% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LYS+ 112  13.85 +/- 1.94   0.866% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  16.06 +/- 2.57   0.589% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 112  11.53 +/- 2.41   1.792% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  16.43 +/- 1.91   0.431% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.22 +/- 2.18   0.134% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  16.65 +/- 1.75   0.408% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.42 +/- 1.50   0.416% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.02 +/- 2.50   0.297% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  25.94 +/- 2.20   0.106% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  24.85 +/- 4.33   0.145% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 238.2:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.33 +/- 0.69  91.463% * 99.8441% (1.00  10.0 10.00   6.08 238.19) =  99.993%  kept
          QB    ALA   47 - HA    LYS+ 112  10.49 +/- 2.14   5.020% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   42 - HA    LYS+ 112  11.19 +/- 1.93   3.517% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.2:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.99 +/- 0.53  85.746% * 99.8009% (1.00  10.0 10.00   5.76 238.19) =  99.993%  kept
          QG2   VAL  108 - HA    LYS+ 112   9.29 +/- 1.79  10.210% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   63 - HA    LYS+ 112  12.67 +/- 2.62   2.451% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HA    LYS+ 112  19.55 +/- 3.50   0.862% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    LYS+ 112  16.71 +/- 2.23   0.730% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.852, support = 6.12, residual support = 236.7:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.26  58.372% * 40.8058% (0.76  10.0 10.00   6.49 238.19) =  60.779%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.06 +/- 0.81  28.263% * 53.3948% (1.00   1.0 10.00   5.54 238.19) =  38.507%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.59 +/- 0.40   4.856% *  5.6873% (0.38   1.0  1.00   5.68  28.47) =   0.705%  kept
          QG2   THR   94 - HA    LYS+ 112   8.72 +/- 1.77   7.762% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LEU   71 - HA    LYS+ 112  20.53 +/- 3.86   0.310% *  0.0529% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  16.28 +/- 2.43   0.436% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 238.2:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.65 +/- 0.22  91.892% * 98.8850% (1.00  10.0 10.00   6.00 238.19) =  99.989%  kept
        T HA    LYS+ 112 - HB    VAL   42  15.43 +/- 2.25   0.598% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          HB2   HIS  122 - HB    VAL   42  13.85 +/- 5.47   4.426% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HB    THR   46 - HB2   LYS+ 112  12.43 +/- 3.19   1.588% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HB    VAL   42  13.02 +/- 1.55   0.956% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB2   LYS+ 112  15.69 +/- 2.02   0.541% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 0.843, support = 5.56, residual support = 159.3:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  60.490% * 40.6012% (0.70  10.0 10.00   4.52  89.24) =  52.942%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.51 +/- 0.21  37.849% * 57.6594% (1.00  10.0 10.00   6.74 238.19) =  47.043%  kept
        T QB    ALA   47 - HB2   LYS+ 112  10.94 +/- 2.23   0.851% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   VAL   42 - HB2   LYS+ 112  12.46 +/- 2.18   0.401% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+ 112 - HB    VAL   42  16.75 +/- 3.08   0.175% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   47 - HB    VAL   42  13.92 +/- 1.22   0.234% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.79 +/- 0.23  78.301% * 98.8037% (1.00  10.0 10.00   5.76 238.19) =  99.981%  kept
          HG    LEU   63 - HB    VAL   42   7.71 +/- 2.45   9.550% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 112 - HB    VAL   42  16.60 +/- 2.60   0.488% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - HB2   LYS+ 112  11.13 +/- 1.66   3.570% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   63 - HB2   LYS+ 112  13.54 +/- 2.90   1.167% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB    VAL   42   8.98 +/- 1.84   4.006% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB    VAL   42  12.75 +/- 1.96   1.117% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  12.09 +/- 1.03   1.134% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  20.51 +/- 3.88   0.339% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.55 +/- 2.40   0.328% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 7.02, residual support = 237.6:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  81.664% * 39.9817% (0.76  10.0 10.00   7.18 238.19) =  84.054%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.72 +/- 0.53  11.642% * 52.3164% (1.00  10.0 10.00   6.23 238.19) =  15.680%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.59 +/- 0.56   1.058% *  5.5338% (0.38   1.0  1.00   5.64  28.47) =   0.151%  kept
          HB3   LEU   71 - HB    VAL   42   7.43 +/- 2.42   3.549% *  1.2146% (0.84   1.0  1.00   0.56   1.45) =   0.111%  kept
        T HD2   LYS+ 112 - HB    VAL   42  16.80 +/- 2.85   0.121% *  0.4410% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LYS+ 112  10.40 +/- 1.89   0.826% *  0.0419% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 112 - HB    VAL   42  17.49 +/- 2.37   0.096% *  0.3371% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB    VAL   42   9.25 +/- 0.97   0.632% *  0.0353% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HB2   LYS+ 112  21.63 +/- 3.81   0.071% *  0.0519% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  14.79 +/- 2.10   0.161% *  0.0136% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  17.80 +/- 2.74   0.103% *  0.0161% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  19.02 +/- 2.41   0.075% *  0.0166% (0.32   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 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 238.2:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.33 +/- 0.69  95.126% * 99.8459% (1.00  10.0 10.00   6.08 238.19) =  99.996%  kept
          HB    THR   46 - HG2   LYS+ 112  12.05 +/- 4.12   3.807% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   HIS  122 - HG2   LYS+ 112  16.37 +/- 1.88   1.067% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 238.1:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.51 +/- 0.21  79.930% * 98.3538% (1.00  10.0 10.00   6.74 238.19) =  99.983%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.06 +/- 4.16  13.748% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.008%
        T HB    VAL   42 - HG2   LYS+ 112  16.75 +/- 3.08   0.406% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HG2   LYS+ 112  16.23 +/- 3.52   0.931% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HG2   LYS+ 112  18.13 +/- 4.54   0.764% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG2   LYS+ 112  15.96 +/- 3.11   0.572% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+ 112  12.52 +/- 3.63   2.217% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  17.04 +/- 3.13   0.359% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.18 +/- 3.03   0.085% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  18.20 +/- 2.84   0.279% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.35 +/- 2.17   0.305% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  20.77 +/- 3.38   0.213% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  27.05 +/- 3.14   0.076% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  25.24 +/- 4.37   0.115% *  0.0517% (0.53   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 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.2:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  98.074% * 99.8009% (1.00  10.0 10.00   6.98 238.19) =  99.999%  kept
          QG2   VAL  108 - HG2   LYS+ 112  11.19 +/- 2.34   1.319% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HG2   LYS+ 112  13.50 +/- 3.09   0.343% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  20.14 +/- 4.21   0.155% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.65 +/- 3.12   0.108% *  0.0249% (0.25   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 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.898, support = 6.75, residual support = 237.6:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.65 +/- 0.30  45.651% * 53.0039% (1.00  10.0 10.00   6.56 238.19) =  57.317%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.68 +/- 0.26  44.172% * 40.5070% (0.76  10.0 10.00   7.01 238.19) =  42.384%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   8.13 +/- 1.00   1.921% *  6.3778% (0.38   1.0  1.00   6.41  28.47) =   0.290%  kept
          QG2   THR   94 - HG2   LYS+ 112  10.17 +/- 2.82   7.617% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LEU   71 - HG2   LYS+ 112  21.42 +/- 4.13   0.279% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  17.32 +/- 3.96   0.359% *  0.0164% (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 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.2:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.99 +/- 0.53  94.790% * 99.8459% (1.00  10.0 10.00   5.76 238.19) =  99.996%  kept
          HB    THR   46 - HG3   LYS+ 112  11.75 +/- 4.18   4.459% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   HIS  122 - HG3   LYS+ 112  16.48 +/- 1.84   0.751% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.79 +/- 0.23  73.245% * 98.3538% (1.00  10.0 10.00   5.76 238.19) =  99.976%  kept
          HB3   PRO   93 - HG3   LYS+ 112   8.58 +/- 4.16  19.330% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.013%
        T HB    VAL   42 - HG3   LYS+ 112  16.60 +/- 2.60   0.435% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+  65 - HG3   LYS+ 112  16.43 +/- 3.62   1.201% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HG3   LYS+ 112  15.38 +/- 2.61   0.964% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HG3   LYS+ 112  18.03 +/- 4.32   0.533% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG3   LYS+ 112  12.35 +/- 3.40   2.407% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG3   LYS+ 112  16.58 +/- 3.06   0.539% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  25.64 +/- 2.31   0.114% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.41 +/- 2.32   0.407% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  17.82 +/- 2.16   0.346% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  20.34 +/- 2.81   0.265% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  26.92 +/- 2.71   0.091% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  25.41 +/- 4.18   0.123% *  0.0517% (0.53   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 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.2:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  97.624% * 99.8441% (1.00  10.0 10.00   6.98 238.19) =  99.998%  kept
          QB    ALA   47 - HG3   LYS+ 112  10.27 +/- 3.37   1.989% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   42 - HG3   LYS+ 112  12.16 +/- 2.19   0.387% *  0.0834% (0.84   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 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 = 0.907, support = 6.14, residual support = 237.3:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.51 +/- 0.19  50.267% * 53.1833% (1.00  10.0 10.00   5.58 238.19) =  61.413%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.71 +/- 0.30  40.854% * 40.6442% (0.76  10.0  1.00   7.02 238.19) =  38.146%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.34 +/- 1.11   3.129% *  6.0608% (0.38   1.0  1.00   6.07  28.47) =   0.436%  kept
          QG2   THR   94 - HG3   LYS+ 112   9.66 +/- 2.48   5.323% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   71 - HG3   LYS+ 112  21.35 +/- 3.83   0.144% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  16.74 +/- 3.74   0.283% *  0.0164% (0.31   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 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 238.2:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.06 +/- 0.81  85.333% * 99.8459% (1.00 10.00   5.54 238.19) =  99.988%  kept
          HB    THR   46 - HD2   LYS+ 112  11.86 +/- 4.62  12.823% *  0.0646% (0.65  1.00   0.02   0.02) =   0.010%
          HB2   HIS  122 - HD2   LYS+ 112  16.57 +/- 2.40   1.843% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 238.1:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.72 +/- 0.53  67.452% * 98.3538% (1.00  10.0 10.00   6.23 238.19) =  99.964%  kept
          HB3   PRO   93 - HD2   LYS+ 112   8.93 +/- 4.45  18.691% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.013%
        T HB    VAL   42 - HD2   LYS+ 112  16.80 +/- 2.85   0.850% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.012%
          HG3   LYS+ 106 - HD2   LYS+ 112  16.15 +/- 2.91   2.122% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HD2   LYS+ 112  16.28 +/- 3.46   1.801% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HD2   LYS+ 112  17.95 +/- 4.87   1.455% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HD2   LYS+ 112  12.51 +/- 3.87   3.774% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HD2   LYS+ 112  16.82 +/- 3.35   1.050% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HD2   LYS+ 112  17.60 +/- 2.81   0.969% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  26.32 +/- 2.68   0.216% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  18.27 +/- 2.45   0.665% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  27.10 +/- 2.96   0.198% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  25.15 +/- 4.46   0.300% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  20.85 +/- 3.09   0.458% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 238.2:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.65 +/- 0.30  92.066% * 99.8441% (1.00  10.0 10.00   6.56 238.19) =  99.994%  kept
          QB    ALA   47 - HD2   LYS+ 112  10.38 +/- 3.58   6.251% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   42 - HD2   LYS+ 112  12.37 +/- 2.41   1.683% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 238.2:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.51 +/- 0.19  89.785% * 99.8009% (1.00  10.0 10.00   5.58 238.19) =  99.995%  kept
          QG2   VAL  108 - HD2   LYS+ 112  11.27 +/- 2.32   8.686% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   63 - HD2   LYS+ 112  13.63 +/- 2.63   0.973% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  20.14 +/- 3.80   0.298% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  18.86 +/- 2.71   0.258% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.4:
    * O T QB    ASP- 113 - HA    ASP- 113   2.43 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.41) = 100.000%  kept
    Distance limit 2.89 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   2.43 +/- 0.13  95.379% * 99.1713% (1.00  10.0 10.00   2.00  14.41) =  99.990%  kept
        T HA    PHE   59 - QB    ASP- 113  10.75 +/- 1.48   1.395% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HA    ILE   56 - QB    ASP- 113   9.63 +/- 2.01   2.486% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QB    ASP- 113  14.72 +/- 1.49   0.513% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.68 +/- 2.00   0.151% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.16 +/- 2.11   0.075% *  0.0681% (0.69   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 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 = 0.87, support = 3.8, residual support = 51.2:
    * O T QB    GLU- 114 - HA    GLU- 114   2.33 +/- 0.15  42.394% * 56.4964% (0.97  10.0 10.00   3.52  43.42) =  86.012%  kept
        T QB    GLU- 114 - HA    LEU  115   4.21 +/- 0.37   7.821% * 26.0003% (0.44   1.0 10.00   5.10  20.96) =   7.303%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.69 +/- 0.19  28.198% *  5.3317% (0.09  10.0 10.00   6.32 223.00) =   5.399%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.65 +/- 0.27   2.984% * 11.5853% (0.20   1.0 10.00   4.45  20.96) =   1.241%  kept
          HG3   PRO   58 - HA    LEU  115  10.39 +/- 2.85  10.297% *  0.0937% (0.10   1.0  1.00   0.31   0.02) =   0.035%
          HB2   LYS+ 111 - HA    GLU- 114   5.61 +/- 1.28   4.788% *  0.0425% (0.73   1.0  1.00   0.02   0.24) =   0.007%
          HB2   LYS+ 111 - HA    LEU  115   7.77 +/- 1.45   1.772% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU- 114  20.47 +/- 3.95   0.118% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  12.62 +/- 2.38   0.447% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.18 +/- 4.30   0.087% *  0.0540% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.84 +/- 4.51   0.098% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  28.97 +/- 6.22   0.070% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.19 +/- 2.80   0.160% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.73 +/- 3.37   0.124% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  25.22 +/- 4.44   0.053% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  21.39 +/- 3.68   0.095% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.78 +/- 3.57   0.081% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  25.77 +/- 5.26   0.070% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  22.22 +/- 3.61   0.073% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.51 +/- 2.22   0.104% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  24.21 +/- 3.99   0.062% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  20.73 +/- 3.35   0.104% *  0.0036% (0.06   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.882, support = 3.83, residual support = 38.6:
    * O T QG    GLU- 114 - HA    GLU- 114   2.98 +/- 0.45  59.873% * 68.1764% (1.00  10.0 10.00   3.53  43.42) =  78.569%  kept
        T QG    GLU- 114 - HA    LEU  115   4.48 +/- 1.23  35.481% * 31.3756% (0.46   1.0 10.00   4.91  20.96) =  21.428%  kept
          HG2   MET   92 - HA    GLU- 114  15.25 +/- 3.24   0.734% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  14.70 +/- 2.83   0.699% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    LEU  115  12.88 +/- 2.34   1.260% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  13.56 +/- 2.12   0.845% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HA    GLU- 114  23.85 +/- 3.12   0.191% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  20.52 +/- 2.80   0.308% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.26 +/- 3.49   0.061% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  30.71 +/- 6.08   0.112% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  27.89 +/- 3.22   0.085% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  29.24 +/- 6.19   0.097% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  27.56 +/- 5.14   0.121% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  26.48 +/- 5.61   0.133% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.928, support = 3.71, residual support = 40.7:
    * O T HA    GLU- 114 - QB    GLU- 114   2.33 +/- 0.15  81.167% * 59.0968% (0.97  10.0 10.00   3.52  43.42) =  87.870%  kept
        T HA    LEU  115 - QB    GLU- 114   4.21 +/- 0.37  16.309% * 40.5940% (0.66   1.0 10.00   5.10  20.96) =  12.128%  kept
        T HA    ARG+  54 - QB    GLU- 114  12.91 +/- 2.11   0.778% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    GLU- 114  10.70 +/- 1.95   1.225% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  20.74 +/- 2.06   0.140% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.51 +/- 2.67   0.122% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  24.27 +/- 4.05   0.121% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.30 +/- 3.31   0.139% *  0.0382% (0.62   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 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.84, residual support = 43.4:
    * O T QG    GLU- 114 - QB    GLU- 114   2.06 +/- 0.03  97.556% * 99.1187% (0.96  10.0 10.00   3.84  43.42) =  99.998%  kept
          HG2   MET   92 - QB    GLU- 114  11.95 +/- 2.98   1.071% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QB    GLU- 114  12.15 +/- 2.75   0.978% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLU-  25 - QB    GLU- 114  26.88 +/- 4.74   0.079% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  19.99 +/- 3.06   0.198% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.61 +/- 2.82   0.050% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  26.35 +/- 5.35   0.068% *  0.0339% (0.33   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 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.907, support = 3.93, residual support = 36.9:
    * O T HA    GLU- 114 - QG    GLU- 114   2.98 +/- 0.45  60.411% * 59.1519% (1.00  10.0 10.00   3.53  43.42) =  71.073%  kept
        T HA    LEU  115 - QG    GLU- 114   4.48 +/- 1.23  35.794% * 40.6319% (0.69   1.0 10.00   4.91  20.96) =  28.926%  kept
          HA    CYS   53 - QG    GLU- 114  10.78 +/- 2.18   1.872% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  12.90 +/- 2.19   1.306% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  20.70 +/- 2.08   0.186% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.53 +/- 2.24   0.146% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.18 +/- 3.35   0.128% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  22.23 +/- 2.73   0.157% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.951, support = 3.8, residual support = 42.4:
    * O T QB    GLU- 114 - QG    GLU- 114   2.06 +/- 0.03  58.356% * 90.6023% (0.96  10.0 10.00   3.84  43.42) =  97.211%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.86 +/- 1.70  28.589% *  3.2767% (0.72   1.0  1.00   0.96   0.24) =   1.722%  kept
          HB2   LEU  115 - QG    GLU- 114   4.78 +/- 1.33  11.961% *  4.8423% (0.20   1.0  1.00   5.21  20.96) =   1.065%  kept
        T HB3   GLU-  25 - QG    GLU- 114  25.21 +/- 4.24   0.046% *  0.8881% (0.94   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  11.71 +/- 2.21   0.561% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  18.76 +/- 3.26   0.125% *  0.0814% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  20.51 +/- 3.01   0.074% *  0.0867% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  22.65 +/- 3.62   0.065% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  22.22 +/- 3.52   0.061% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.90 +/- 2.81   0.092% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  21.23 +/- 2.69   0.070% *  0.0127% (0.14   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 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 = 0.644, support = 5.76, residual support = 183.3:
    * O T HB2   LEU  115 - HA    LEU  115   2.69 +/- 0.19  22.582% * 53.2045% (0.84  10.0 10.00   6.32 223.00) =  71.833%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.76 +/- 0.24  20.802% *  8.2940% (0.13  10.0  1.00   4.76 169.22) =  10.315%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.33 +/- 0.15  34.081% *  4.4930% (0.07  10.0 10.00   3.52  43.42) =   9.155%  kept
        T QB    GLU- 114 - HA    LEU  115   4.21 +/- 0.37   6.200% * 16.4214% (0.26   1.0 10.00   5.10  20.96) =   6.087%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.65 +/- 0.27   2.397% * 14.5570% (0.23   1.0 10.00   4.45  20.96) =   2.086%  kept
          HG3   PRO   58 - HA    LEU  115  10.39 +/- 2.85   8.663% *  0.8291% (0.83   1.0  1.00   0.31   0.02) =   0.429%  kept
        T HB2   LEU  115 - HA    ARG+  54  10.86 +/- 2.04   0.791% *  1.8359% (0.47   1.0 10.00   0.12   0.02) =   0.087%
          HG3   PRO   58 - HA    ARG+  54   8.21 +/- 2.20   2.072% *  0.0298% (0.47   1.0  1.00   0.02   0.02) =   0.004%
        T QB    GLU- 114 - HA    ARG+  54  12.91 +/- 2.11   0.254% *  0.0921% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    GLU- 114  12.62 +/- 2.38   0.367% *  0.0145% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  16.21 +/- 2.21   0.113% *  0.0426% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  18.34 +/- 4.76   0.264% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  18.76 +/- 4.47   0.115% *  0.0280% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  13.84 +/- 2.02   0.216% *  0.0148% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.19 +/- 2.80   0.132% *  0.0239% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  17.47 +/- 2.73   0.102% *  0.0239% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.73 +/- 3.37   0.098% *  0.0200% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  19.35 +/- 5.16   0.116% *  0.0157% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  22.00 +/- 5.27   0.192% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  20.53 +/- 4.42   0.087% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  19.91 +/- 3.03   0.073% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.47 +/- 3.95   0.097% *  0.0065% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  16.02 +/- 1.96   0.118% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.18 +/- 4.30   0.071% *  0.0055% (0.09   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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.521, support = 6.25, residual support = 217.5:
    * O T HG    LEU  115 - HA    LEU  115   3.34 +/- 0.52  25.709% * 55.7756% (0.72  10.0 10.00   6.19 223.00) =  56.846%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.41 +/- 0.27  51.433% * 19.8460% (0.26  10.0 10.00   6.51 223.00) =  40.466%  kept
        T HG    LEU  115 - HA    GLU- 114   6.41 +/- 0.66   3.301% * 15.2605% (0.20   1.0 10.00   3.98  20.96) =   1.997%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.37 +/- 0.24   2.775% *  5.4300% (0.07   1.0 10.00   3.79  20.96) =   0.597%  kept
        T HB3   LEU  115 - HA    ARG+  54  10.77 +/- 2.07   1.037% *  0.8979% (0.14   1.0 10.00   0.16   0.02) =   0.037%
        T HG    LEU  115 - HA    ARG+  54  10.51 +/- 1.96   2.684% *  0.3127% (0.41   1.0 10.00   0.02   0.02) =   0.033%
        T HB3   LEU   40 - HA    LEU  115  17.00 +/- 2.62   0.183% *  0.6373% (0.83   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - HA    LEU  115   7.61 +/- 0.47   1.642% *  0.0558% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - HA    LEU  115  15.11 +/- 2.77   0.297% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   67 - HA    LEU  115  16.26 +/- 2.75   0.219% *  0.2643% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   26 - HA    LEU  115  18.90 +/- 3.77   0.206% *  0.2193% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HA    GLU- 114   7.50 +/- 0.80   1.856% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    ARG+  54  21.88 +/- 2.88   0.076% *  0.3573% (0.46   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HA    ARG+  54  17.60 +/- 2.83   0.181% *  0.1482% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    ARG+  54  17.80 +/- 4.06   2.617% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU- 114  20.37 +/- 3.25   0.116% *  0.1744% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    ARG+  54  14.76 +/- 2.76   0.587% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   9.52 +/- 1.62   1.104% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    ARG+  54  15.18 +/- 4.55   0.706% *  0.0219% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  19.72 +/- 2.67   0.107% *  0.1113% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.52 +/- 3.53   0.242% *  0.0390% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  18.68 +/- 3.42   0.172% *  0.0543% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  13.63 +/- 3.64   0.914% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  21.69 +/- 4.42   0.123% *  0.0600% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.16 +/- 2.19   0.281% *  0.0179% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  11.19 +/- 2.43   0.904% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  19.80 +/- 3.71   0.136% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.59 +/- 3.59   0.102% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  19.97 +/- 3.44   0.140% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  18.59 +/- 2.68   0.149% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.795, support = 6.13, residual support = 208.3:
    *   T QD1   LEU  115 - HA    LEU  115   3.86 +/- 0.33  61.562% * 75.7888% (0.84 10.00   6.32 223.00) =  92.834%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.58 +/- 0.60  14.490% * 20.7362% (0.23 10.00   4.41  20.96) =   5.978%  kept
        T QD1   LEU  115 - HA    ARG+  54   7.61 +/- 1.89  17.762% *  3.3435% (0.47 10.00   0.16   0.02) =   1.182%  kept
          QG1   VAL   75 - HA    LEU  115  12.00 +/- 1.83   2.568% *  0.0717% (0.79  1.00   0.02   0.02) =   0.004%
          QG1   VAL   75 - HA    ARG+  54  13.13 +/- 2.03   2.429% *  0.0402% (0.44  1.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HA    GLU- 114  15.10 +/- 1.71   1.189% *  0.0196% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.767, support = 7.21, residual support = 208.8:
    *   T QD2   LEU  115 - HA    LEU  115   3.20 +/- 0.55  45.802% * 74.0396% (0.81 10.00   7.45 223.00) =  93.062%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.64 +/- 0.74  11.143% * 20.2576% (0.22 10.00   4.41  20.96) =   6.195%  kept
        T QD2   LEU  115 - HA    ARG+  54   8.32 +/- 1.48   4.982% *  4.8391% (0.45 10.00   0.23   0.02) =   0.662%  kept
          QD1   LEU   63 - HA    LEU  115   8.38 +/- 2.57   5.604% *  0.3331% (0.79  1.00   0.09   0.02) =   0.051%
          QD1   LEU   73 - HA    LEU  115  13.82 +/- 4.58   5.612% *  0.0726% (0.79  1.00   0.02   0.02) =   0.011%
          QD2   LEU   63 - HA    ARG+  54  11.15 +/- 3.23   8.968% *  0.0161% (0.18  1.00   0.02   0.02) =   0.004%
          QD1   LEU   63 - HA    ARG+  54  10.26 +/- 2.76   2.655% *  0.0407% (0.44  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HA    LEU  115  12.36 +/- 2.46   1.596% *  0.0586% (0.64  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HA    LEU  115   9.29 +/- 2.34   3.047% *  0.0288% (0.31  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HA    ARG+  54  15.22 +/- 4.01   1.710% *  0.0407% (0.44  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    GLU- 114  11.51 +/- 2.95   2.139% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  115  17.61 +/- 2.66   0.365% *  0.0726% (0.79  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    GLU- 114  17.08 +/- 4.81   1.289% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    ARG+  54  18.74 +/- 3.21   0.573% *  0.0329% (0.36  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  17.52 +/- 3.39   0.393% *  0.0407% (0.44  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  12.28 +/- 3.02   2.006% *  0.0079% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  14.60 +/- 2.48   0.841% *  0.0160% (0.17  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  16.16 +/- 2.05   0.452% *  0.0237% (0.26  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.86 +/- 1.98   0.328% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.36 +/- 2.70   0.214% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  18.75 +/- 2.20   0.279% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.813, support = 6.22, residual support = 213.3:
    * O T HA    LEU  115 - HB2   LEU  115   2.69 +/- 0.19  85.358% * 67.5354% (0.84  10.0 10.00   6.32 223.00) =  95.237%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.65 +/- 0.27   9.914% * 27.5802% (0.34   1.0 10.00   4.45  20.96) =   4.517%  kept
        T HA    ARG+  54 - HB2   LEU  115  10.86 +/- 2.04   3.219% *  4.5937% (0.92   1.0 10.00   0.12   0.02) =   0.244%  kept
          HA    ALA  124 - HB2   LEU  115  17.37 +/- 1.08   0.351% *  0.0675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  20.64 +/- 3.42   0.580% *  0.0332% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  22.49 +/- 3.36   0.185% *  0.0701% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  22.77 +/- 2.20   0.150% *  0.0555% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.16 +/- 2.59   0.168% *  0.0394% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  28.68 +/- 2.28   0.074% *  0.0250% (0.31   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 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 = 0.549, support = 6.16, residual support = 223.0:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  77.363% * 25.8976% (0.31  10.0 10.00   6.20 223.00) =  56.916%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.80 +/- 0.26  20.835% * 72.7830% (0.87  10.0 10.00   6.10 223.00) =  43.079%  kept
        T HB3   LEU   40 - HB2   LEU  115  17.83 +/- 2.27   0.088% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HB2   LEU  115   9.08 +/- 0.70   0.600% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU  115  15.84 +/- 2.48   0.138% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HB2   LEU  115  15.89 +/- 3.60   0.182% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  14.75 +/- 2.48   0.261% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.60 +/- 1.41   0.313% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  16.35 +/- 2.56   0.120% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  18.93 +/- 3.36   0.100% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 223.0:
    * O T QD1   LEU  115 - HB2   LEU  115   2.36 +/- 0.22  98.809% * 99.9055% (1.00  10.0 10.00   6.11 223.00) =  99.999%  kept
          QG1   VAL   75 - HB2   LEU  115  11.55 +/- 2.14   1.191% *  0.0945% (0.95   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 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.26, residual support = 222.9:
    * O T QD2   LEU  115 - HB2   LEU  115   2.72 +/- 0.41  78.858% * 99.2103% (0.97  10.0 10.00   7.26 223.00) =  99.944%  kept
          QD1   LEU   63 - HB2   LEU  115   8.36 +/- 2.67   7.681% *  0.4463% (0.95   1.0  1.00   0.09   0.02) =   0.044%
          QD1   LEU   73 - HB2   LEU  115  13.64 +/- 4.57   5.733% *  0.0972% (0.95   1.0  1.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - HB2   LEU  115   9.43 +/- 2.42   5.811% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   LEU  115  13.51 +/- 2.26   0.886% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  17.20 +/- 2.66   0.500% *  0.0972% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  15.99 +/- 1.97   0.532% *  0.0317% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.693, support = 6.01, residual support = 207.6:
    * O T HA    LEU  115 - HG    LEU  115   3.34 +/- 0.52  60.713% * 69.7478% (0.72  10.0 10.00   6.19 223.00) =  92.374%  kept
        T HA    GLU- 114 - HG    LEU  115   6.41 +/- 0.66  11.963% * 28.4836% (0.30   1.0 10.00   3.98  20.96) =   7.433%  kept
        T HA    ARG+  54 - HG    LEU  115  10.51 +/- 1.96  10.441% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.176%  kept
        T HA    LEU  115 - HG    LEU   40  15.11 +/- 2.77   1.132% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.006%
        T HA    ARG+  54 - HG    LEU   40  19.72 +/- 2.67   0.455% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HG    LEU   40   8.76 +/- 1.04   4.588% *  0.0195% (0.20   1.0  1.00   0.02   0.48) =   0.002%
        T HA    GLU- 114 - HG    LEU   40  18.68 +/- 3.42   0.663% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU  115  16.44 +/- 1.51   0.631% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU   40  13.33 +/- 2.48   1.769% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG    LEU  115  21.09 +/- 4.22   1.248% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  11.05 +/- 1.96   2.484% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU   40  19.90 +/- 6.37   1.337% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  22.25 +/- 3.98   0.350% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG    LEU  115  22.49 +/- 2.66   0.252% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.00 +/- 1.57   1.324% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.31 +/- 3.17   0.237% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  21.23 +/- 1.66   0.292% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  28.39 +/- 2.81   0.121% *  0.0258% (0.27   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 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.86, support = 6.08, residual support = 220.6:
    * O T HB2   LEU  115 - HG    LEU  115   2.80 +/- 0.26  67.727% * 92.0869% (0.87  10.0 10.00   6.10 223.00) =  98.825%  kept
          QB    GLU- 114 - HG    LEU  115   5.81 +/- 0.97  11.355% *  6.2790% (0.27   1.0  1.00   4.42  20.96) =   1.130%  kept
        T HB2   LEU   67 - HG    LEU   40   7.93 +/- 2.43   7.139% *  0.2504% (0.24   1.0 10.00   0.02   0.02) =   0.028%
        T HB2   LEU   67 - HG    LEU  115  15.83 +/- 2.20   0.513% *  0.7374% (0.69   1.0 10.00   0.02   0.02) =   0.006%
          HG3   PRO   58 - HG    LEU  115   9.21 +/- 2.14   4.080% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.006%
        T HB2   LEU  115 - HG    LEU   40  15.84 +/- 2.48   0.525% *  0.3128% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HG    LEU   40  10.11 +/- 2.00   2.505% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HG    LEU  115  11.99 +/- 1.79   1.183% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  14.09 +/- 5.00   1.644% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  16.77 +/- 3.16   0.535% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  18.14 +/- 3.94   0.401% *  0.0484% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.28 +/- 3.36   0.404% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  13.48 +/- 2.73   0.955% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  18.33 +/- 2.45   0.328% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  16.41 +/- 3.08   0.520% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  21.43 +/- 3.06   0.186% *  0.0087% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 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 = 5.99, residual support = 223.0:
    * O T QD1   LEU  115 - HG    LEU  115   2.10 +/- 0.02  97.568% * 99.5358% (0.87  10.0 10.00   5.99 223.00) =  99.997%  kept
        T QD1   LEU  115 - HG    LEU   40  12.87 +/- 2.25   0.594% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HG    LEU  115  11.82 +/- 2.33   0.902% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU   40  10.66 +/- 1.43   0.937% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.08, residual support = 222.9:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.01  71.471% * 98.7299% (0.84  10.0 10.00   7.08 223.00) =  99.966%  kept
          QD1   LEU   63 - HG    LEU  115   7.87 +/- 2.24   2.608% *  0.4442% (0.82   1.0  1.00   0.09   0.02) =   0.016%
          QD1   LEU   73 - HG    LEU  115  13.58 +/- 4.69   6.147% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU  104 - HG    LEU   40   5.92 +/- 1.23   5.638% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HG    LEU   40   7.71 +/- 1.79   4.178% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HG    LEU   40  13.31 +/- 2.12   0.358% *  0.3353% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HG    LEU  115   8.88 +/- 2.10   1.741% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU   40   7.10 +/- 1.96   4.812% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40   9.23 +/- 1.64   1.429% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HG    LEU  115  17.36 +/- 3.23   0.336% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.43 +/- 2.56   0.394% *  0.0782% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  14.77 +/- 2.75   0.289% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  16.20 +/- 2.55   0.212% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  13.45 +/- 3.04   0.388% *  0.0107% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.795, support = 6.01, residual support = 200.7:
    *   T HA    LEU  115 - QD1   LEU  115   3.86 +/- 0.33  61.355% * 66.6825% (0.84 10.00   6.32 223.00) =  89.182%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.58 +/- 0.60  14.447% * 27.2318% (0.34 10.00   4.41  20.96) =   8.576%  kept
        T HA    ARG+  54 - QD1   LEU  115   7.61 +/- 1.89  17.692% *  5.7986% (0.92 10.00   0.16   0.02) =   2.236%  kept
          HA    LYS+  81 - QD1   LEU  115  16.56 +/- 3.36   2.939% *  0.0328% (0.41  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD1   LEU  115  14.94 +/- 1.11   1.203% *  0.0667% (0.84  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QD1   LEU  115  18.13 +/- 3.10   0.813% *  0.0692% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD1   LEU  115  18.60 +/- 2.10   0.626% *  0.0548% (0.69  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  18.59 +/- 2.58   0.623% *  0.0389% (0.49  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QD1   LEU  115  23.58 +/- 2.24   0.303% *  0.0246% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.995, support = 6.09, residual support = 221.0:
    * O T HB2   LEU  115 - QD1   LEU  115   2.36 +/- 0.22  80.134% * 90.1858% (1.00  10.0 10.00   6.11 223.00) =  99.058%  kept
          QB    GLU- 114 - QD1   LEU  115   5.56 +/- 0.73   7.258% *  7.0506% (0.31   1.0  1.00   5.07  20.96) =   0.701%  kept
          HG3   PRO   58 - QD1   LEU  115   7.44 +/- 1.62   6.818% *  2.5446% (1.00   1.0  1.00   0.57   0.02) =   0.238%  kept
          HB3   ARG+  54 - QD1   LEU  115   8.79 +/- 1.86   3.521% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD1   LEU  115  12.83 +/- 1.84   0.748% *  0.0722% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU  115  13.84 +/- 2.68   0.685% *  0.0404% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  14.85 +/- 3.32   0.493% *  0.0474% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.72 +/- 2.56   0.344% *  0.0338% (0.38   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 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.754, support = 6.05, residual support = 223.0:
    * O T HG    LEU  115 - QD1   LEU  115   2.10 +/- 0.02  55.922% * 72.7830% (0.87  10.0 10.00   5.99 223.00) =  79.742%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.41 +/- 0.31  39.911% * 25.8976% (0.31  10.0 10.00   6.31 223.00) =  20.250%  kept
        T HB3   LEU   40 - QD1   LEU  115  14.59 +/- 2.14   0.198% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - QD1   LEU  115  12.87 +/- 2.25   0.318% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD1   LEU  115   8.33 +/- 0.57   0.941% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD1   LEU  115  12.01 +/- 3.04   0.756% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD1   LEU  115  11.24 +/- 2.30   0.886% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.89 +/- 1.85   0.292% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115  10.31 +/- 1.17   0.531% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  15.13 +/- 2.68   0.246% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 7.23, residual support = 222.8:
    * O T QD2   LEU  115 - QD1   LEU  115   2.01 +/- 0.07  66.257% * 99.2103% (0.97  10.0 10.00   7.24 223.00) =  99.911%  kept
          QD1   LEU   63 - QD1   LEU  115   6.28 +/- 1.86   8.193% *  0.4463% (0.95   1.0  1.00   0.09   0.02) =   0.056%
          QD1   LEU   73 - QD1   LEU  115  10.63 +/- 3.96  20.351% *  0.0972% (0.95   1.0  1.00   0.02   0.02) =   0.030%
          QD2   LEU   63 - QD1   LEU  115   7.26 +/- 1.71   3.876% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - QD1   LEU  115  13.70 +/- 2.64   0.508% *  0.0972% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD1   LEU  115  11.50 +/- 2.17   0.490% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD1   LEU  115  12.88 +/- 2.01   0.326% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.765, support = 7.09, residual support = 202.3:
    *   T HA    LEU  115 - QD2   LEU  115   3.20 +/- 0.55  71.404% * 64.8712% (0.81 10.00   7.45 223.00) =  89.860%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.64 +/- 0.74  17.331% * 26.4921% (0.33 10.00   4.41  20.96) =   8.907%  kept
        T HA    ARG+  54 - QD2   LEU  115   8.32 +/- 1.48   7.582% *  8.3573% (0.89 10.00   0.23   0.02) =   1.229%  kept
          HA    ALA  124 - QD2   LEU  115  13.52 +/- 1.85   1.237% *  0.0649% (0.81  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QD2   LEU  115  18.91 +/- 3.31   0.555% *  0.0674% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD2   LEU  115  17.92 +/- 3.65   0.766% *  0.0319% (0.40  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  19.07 +/- 1.94   0.455% *  0.0533% (0.66  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.06 +/- 2.71   0.452% *  0.0378% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.99 +/- 2.03   0.219% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.955, support = 7.21, residual support = 219.2:
    * O T HB2   LEU  115 - QD2   LEU  115   2.72 +/- 0.41  71.163% * 90.0159% (0.97  10.0 10.00   7.26 223.00) =  98.139%  kept
          QB    GLU- 114 - QD2   LEU  115   5.15 +/- 0.98  14.109% *  7.0080% (0.30   1.0  1.00   5.04  20.96) =   1.515%  kept
          HG3   PRO   58 - QD2   LEU  115   6.99 +/- 2.07   8.105% *  2.7575% (0.96   1.0  1.00   0.61   0.02) =   0.342%  kept
          HB3   ARG+  54 - QD2   LEU  115   9.48 +/- 1.37   3.487% *  0.0250% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  13.47 +/- 1.97   0.767% *  0.0721% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD2   LEU  115  16.09 +/- 3.02   0.990% *  0.0338% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  14.99 +/- 3.22   0.694% *  0.0474% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  14.17 +/- 2.38   0.686% *  0.0404% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.749, support = 7.13, residual support = 222.6:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.01  61.170% * 69.7798% (0.84  10.0 10.00   7.08 223.00) =  83.549%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.73 +/- 0.47  33.491% * 24.8290% (0.30  10.0 10.00   7.44 223.00) =  16.276%  kept
          QB    ALA  120 - QD2   LEU  115   7.05 +/- 1.13   2.050% *  4.1961% (0.84   1.0  1.00   1.20   0.02) =   0.168%  kept
        T HB3   LEU   40 - QD2   LEU  115  14.91 +/- 2.05   0.199% *  0.7973% (0.96   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - QD2   LEU  115  13.31 +/- 2.12   0.298% *  0.2483% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU  115  13.24 +/- 3.12   0.851% *  0.0488% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  115   9.21 +/- 0.68   0.772% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.82 +/- 2.18   0.490% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  15.67 +/- 3.26   0.388% *  0.0274% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  13.53 +/- 2.13   0.290% *  0.0331% (0.40   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 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 223.0:
    * O T QD1   LEU  115 - QD2   LEU  115   2.01 +/- 0.07  98.389% * 99.9055% (0.97  10.0 10.00   7.24 223.00) =  99.998%  kept
          QG1   VAL   75 - QD2   LEU  115  10.13 +/- 2.09   1.611% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.53 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 = 5.13, residual support = 119.0:
    * O T HB2   GLN  116 - HA    GLN  116   2.79 +/- 0.16  92.584% * 98.6426% (1.00  10.0 10.00   5.13 119.05) =  99.993%  kept
          HB2   PRO   58 - HA    GLN  116   8.25 +/- 1.67   5.534% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    GLN  116  23.71 +/- 3.85   0.181% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  13.30 +/- 3.04   1.287% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   32 - HA    GLN  116  25.11 +/- 3.88   0.169% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  21.71 +/- 2.94   0.245% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.11, residual support = 118.9:
    * O T HG2   GLN  116 - HA    GLN  116   2.55 +/- 0.54  96.071% * 97.6877% (1.00  10.0 10.00   5.12 119.05) =  99.910%  kept
          HB3   PHE   95 - HA    GLN  116   9.35 +/- 2.29   3.693% *  2.2851% (0.99   1.0  1.00   0.47   0.75) =   0.090%
          HG2   GLU-  25 - HA    GLN  116  28.12 +/- 6.14   0.235% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.13, residual support = 119.0:
    * O T HA    GLN  116 - HB2   GLN  116   2.79 +/- 0.16  97.813% * 98.1197% (1.00  10.0 10.00   5.13 119.05) =  99.997%  kept
        T HA    GLU-  29 - HB2   GLN  116  28.23 +/- 4.64   0.138% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   GLN  116  28.87 +/- 3.65   0.111% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  18.92 +/- 3.90   0.510% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLN  116  20.74 +/- 3.70   0.306% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  18.29 +/- 2.80   0.666% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  27.56 +/- 2.86   0.119% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  26.78 +/- 3.54   0.132% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  24.23 +/- 4.41   0.204% *  0.0194% (0.20   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 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.62, residual support = 118.9:
    * O T HG2   GLN  116 - HB2   GLN  116   2.67 +/- 0.19  97.866% * 96.0226% (1.00  10.0 10.00   5.62 119.05) =  99.916%  kept
          HB3   PHE   95 - HB2   GLN  116  10.74 +/- 1.94   1.990% *  3.9507% (0.99   1.0  1.00   0.83   0.75) =   0.084%
          HG2   GLU-  25 - HB2   GLN  116  29.61 +/- 5.98   0.145% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 119.0:
    * O T HA    GLN  116 - HG2   GLN  116   2.55 +/- 0.54  97.073% * 99.5202% (1.00  10.0 10.00   5.12 119.05) =  99.998%  kept
          HA    VAL   70 - HG2   GLN  116  17.99 +/- 4.45   0.620% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLN  116  19.45 +/- 3.85   0.780% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   GLN  116  18.77 +/- 3.40   0.569% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  27.44 +/- 5.33   0.160% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  28.02 +/- 4.24   0.114% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  22.75 +/- 4.45   0.423% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  25.91 +/- 4.01   0.151% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  28.02 +/- 2.99   0.111% *  0.0604% (0.61   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 119.0:
    * O T HB2   GLN  116 - HG2   GLN  116   2.67 +/- 0.19  91.752% * 99.6852% (1.00  10.0 10.00   5.62 119.05) =  99.995%  kept
          HB2   PRO   58 - HG2   GLN  116   8.35 +/- 2.21   7.045% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PHE   97 - HG2   GLN  116  14.94 +/- 2.78   0.737% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG2   GLN  116  25.18 +/- 3.69   0.129% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  22.75 +/- 3.43   0.194% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  26.16 +/- 4.03   0.143% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 1.27, residual support = 15.4:
    * O T QB    SER  117 - HA    SER  117   2.39 +/- 0.11  87.855% * 95.2223% (1.00  10.0 10.00   1.27  15.38) =  99.737%  kept
          HA    ALA  120 - HA    SER  117   5.71 +/- 0.52   7.289% *  2.9360% (0.41   1.0  1.00   1.50   5.21) =   0.255%  kept
          HA    LYS+ 121 - HA    SER  117   7.66 +/- 0.77   3.110% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HA2   GLY   51 - HA    SER  117  19.84 +/- 2.10   0.198% *  0.8540% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QB    SER   48 - HA    SER  117  20.24 +/- 2.76   0.234% *  0.6160% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HA    SER  117  12.52 +/- 1.61   0.743% *  0.0578% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER  117  16.12 +/- 1.11   0.305% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  25.17 +/- 2.61   0.096% *  0.1469% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  24.61 +/- 5.64   0.171% *  0.0147% (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 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.27, residual support = 15.4:
    * O T HA    SER  117 - QB    SER  117   2.39 +/- 0.11  88.822% * 99.1287% (1.00  10.0 10.00   1.27  15.38) =  99.995%  kept
        T HA1   GLY   51 - QB    SER   48   8.38 +/- 1.45   4.819% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T HA    SER  117 - QB    SER   48  20.24 +/- 2.76   0.237% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - QB    SER  117  13.05 +/- 1.84   0.823% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER  117  17.33 +/- 1.91   0.290% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    SER  117  12.62 +/- 1.36   0.703% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.81 +/- 3.87   2.264% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  22.94 +/- 5.36   0.219% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  25.17 +/- 2.61   0.097% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  16.10 +/- 3.97   0.664% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  20.67 +/- 5.63   0.324% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  20.81 +/- 2.97   0.172% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  20.28 +/- 6.68   0.279% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  22.79 +/- 3.24   0.136% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.90 +/- 3.42   0.151% *  0.0057% (0.06   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 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.73, residual support = 265.9:
    * O T HB    ILE  119 - HA    ILE  119   2.95 +/- 0.07  88.971% * 99.2403% (0.87  10.0 10.00   6.73 265.88) =  99.991%  kept
          HG3   GLN   30 - HA    ILE  119  19.73 +/- 5.16   1.352% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HA    ILE  119  19.62 +/- 5.33   1.526% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HA    ILE  119  15.95 +/- 3.94   1.413% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    ILE  119  15.67 +/- 3.27   1.319% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ILE  119  14.92 +/- 2.63   0.906% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    ILE  119  19.01 +/- 4.53   1.343% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    ILE  119  13.79 +/- 1.25   0.934% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    ILE  119  21.59 +/- 5.09   0.333% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  14.93 +/- 2.56   1.022% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  19.64 +/- 3.63   0.451% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  25.97 +/- 6.84   0.429% *  0.0285% (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 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 6.9, residual support = 264.8:
    * O T QG2   ILE  119 - HA    ILE  119   2.61 +/- 0.27  74.077% * 98.0933% (1.00  10.0 10.00   6.93 265.88) =  99.577%  kept
          QD2   LEU   71 - HA    ILE  119  13.91 +/- 4.78  17.882% *  1.7132% (0.87   1.0  1.00   0.40   0.02) =   0.420%  kept
          QD1   ILE  103 - HA    ILE  119  14.96 +/- 3.18   0.710% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    ILE  119  11.45 +/- 4.13   3.278% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  119  12.02 +/- 3.54   2.252% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    ILE  119  12.68 +/- 3.76   1.413% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  119  17.41 +/- 3.72   0.387% *  0.0368% (0.38   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 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 7.22, residual support = 265.9:
    * O T HG12  ILE  119 - HA    ILE  119   2.63 +/- 0.39  87.850% * 99.4466% (1.00  10.0 10.00   7.22 265.88) =  99.993%  kept
          HB3   PHE   72 - HA    ILE  119  13.88 +/- 4.42   4.161% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP- 105 - HA    ILE  119  10.19 +/- 4.56   4.599% *  0.0307% (0.31   1.0  1.00   0.02   0.12) =   0.002%
          HB2   ASP-  44 - HA    ILE  119  12.86 +/- 1.81   0.915% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ILE  119  24.11 +/- 6.18   0.375% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  20.82 +/- 4.64   0.423% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.23 +/- 2.42   0.392% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  19.89 +/- 3.93   0.479% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  22.27 +/- 1.71   0.173% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  23.95 +/- 6.63   0.412% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  20.97 +/- 2.35   0.220% *  0.0153% (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 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.994, support = 6.85, residual support = 263.7:
    * O T HG13  ILE  119 - HA    ILE  119   3.07 +/- 0.53  67.335% * 94.0640% (1.00  10.0 10.00   6.88 265.88) =  99.170%  kept
          HG2   LYS+ 121 - HA    ILE  119   6.81 +/- 0.85   8.951% *  4.9940% (0.31   1.0  1.00   3.44   8.24) =   0.700%  kept
          QG1   VAL  107 - HA    ILE  119   7.38 +/- 2.46  11.669% *  0.6809% (0.15   1.0  1.00   0.94   0.02) =   0.124%  kept
          QG2   VAL  107 - HA    ILE  119   8.27 +/- 2.19   7.481% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HA    ILE  119  11.76 +/- 1.79   1.922% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    ILE  119  16.16 +/- 4.23   0.848% *  0.0646% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    ILE  119  19.49 +/- 6.19   1.366% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ILE  119  20.43 +/- 5.16   0.429% *  0.0939% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.12, residual support = 265.9:
    *   T QD1   ILE  119 - HA    ILE  119   3.17 +/- 0.73  92.391% * 99.2846% (0.97 10.00   6.13 265.88) =  99.989%  kept
        T HB    VAL   75 - HA    ILE  119  16.17 +/- 2.32   0.973% *  0.5824% (0.57 10.00   0.02   0.02) =   0.006%
          HB2   LEU  104 - HA    ILE  119  12.63 +/- 5.06   4.298% *  0.0747% (0.73  1.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - HA    ILE  119  12.53 +/- 2.18   2.337% *  0.0582% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.66, residual support = 240.4:
    * O T HA    ILE  119 - HB    ILE  119   2.95 +/- 0.07  85.267% * 50.8167% (0.87  10.0 10.00   6.73 265.88) =  87.644%  kept
        T HA    THR  118 - HB    ILE  119   5.63 +/- 0.23  12.454% * 49.0416% (0.84   1.0 10.00   6.18  59.45) =  12.354%  kept
          HA2   GLY  109 - HB    ILE  119  14.11 +/- 2.26   1.088% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    ILE  119  19.47 +/- 4.22   0.602% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    ILE  119  22.93 +/- 2.36   0.206% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  19.17 +/- 2.55   0.383% *  0.0089% (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 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 = 265.9:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.02  94.711% * 99.7168% (0.87  10.0 10.00   6.42 265.88) =  99.997%  kept
          QD2   LEU   71 - HB    ILE  119  15.46 +/- 4.65   2.793% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  103 - HB    ILE  119  16.12 +/- 2.48   0.268% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  119  13.23 +/- 3.30   0.767% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.85 +/- 3.02   0.475% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  13.22 +/- 3.53   0.735% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.16 +/- 3.95   0.251% *  0.0374% (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 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.32, residual support = 265.9:
    * O T HG12  ILE  119 - HB    ILE  119   2.58 +/- 0.19  92.696% * 99.4466% (0.87  10.0 10.00   6.32 265.88) =  99.996%  kept
          HB3   PHE   72 - HB    ILE  119  15.46 +/- 4.47   1.908% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HB    ILE  119  11.48 +/- 3.85   2.248% *  0.0307% (0.27   1.0  1.00   0.02   0.12) =   0.001%
          HG3   MET   92 - HB    ILE  119  17.63 +/- 2.99   0.938% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB    ILE  119  13.63 +/- 1.82   0.801% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB    ILE  119  25.53 +/- 6.14   0.325% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.17 +/- 4.64   0.238% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  22.27 +/- 2.08   0.181% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  21.31 +/- 3.84   0.226% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  21.58 +/- 3.03   0.236% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  25.07 +/- 6.43   0.203% *  0.0153% (0.13   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 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.863, support = 6.02, residual support = 264.4:
    * O T HG13  ILE  119 - HB    ILE  119   2.68 +/- 0.35  74.747% * 95.5178% (0.87  10.0 10.00   6.05 265.88) =  99.450%  kept
        T QG1   VAL  107 - HB    ILE  119   7.36 +/- 2.29   9.435% *  4.0549% (0.13   1.0 10.00   0.55   0.02) =   0.533%  kept
        T QG2   VAL  107 - HB    ILE  119   8.10 +/- 2.01   4.731% *  0.1474% (0.13   1.0 10.00   0.02   0.02) =   0.010%
          HD3   LYS+ 112 - HB    ILE  119   9.97 +/- 2.13   4.596% *  0.0503% (0.46   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - HB    ILE  119   8.77 +/- 0.72   3.174% *  0.0295% (0.27   1.0  1.00   0.02   8.24) =   0.001%
          QB    ALA   20 - HB    ILE  119  16.66 +/- 4.69   1.245% *  0.0656% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    ILE  119  20.14 +/- 6.34   1.775% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    ILE  119  22.20 +/- 4.65   0.298% *  0.0953% (0.87   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 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 265.9:
    * O T QD1   ILE  119 - HB    ILE  119   2.67 +/- 0.39  96.871% * 99.2846% (0.84  10.0 10.00   5.56 265.88) =  99.991%  kept
        T QG2   VAL  108 - HB    ILE  119  12.59 +/- 1.88   1.290% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LEU  104 - HB    ILE  119  14.48 +/- 4.25   1.191% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  17.11 +/- 2.50   0.648% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.85, residual support = 247.4:
    * O T HA    ILE  119 - QG2   ILE  119   2.61 +/- 0.27  88.653% * 50.8167% (1.00  10.0 10.00   6.93 265.88) =  91.046%  kept
        T HA    THR  118 - QG2   ILE  119   5.88 +/- 0.20   9.033% * 49.0416% (0.97   1.0 10.00   5.99  59.45) =   8.953%  kept
          HB2   TRP   49 - QG2   ILE  119  16.90 +/- 4.01   0.700% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   ILE  119  13.47 +/- 1.92   0.869% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QG2   ILE  119  20.08 +/- 1.98   0.246% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  16.40 +/- 2.30   0.500% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 265.9:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.02  90.268% * 99.2403% (0.87  10.0 10.00   6.42 265.88) =  99.992%  kept
          HB3   PRO   68 - QG2   ILE  119  13.76 +/- 3.99   2.691% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - QG2   ILE  119  17.52 +/- 4.78   1.311% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG2   ILE  119  17.53 +/- 4.81   1.399% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   ILE  119  12.48 +/- 2.85   0.827% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QG2   ILE  119  16.27 +/- 4.01   0.799% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  13.22 +/- 2.88   1.016% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  11.69 +/- 1.03   0.575% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  14.05 +/- 1.81   0.369% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  19.82 +/- 3.98   0.161% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  16.95 +/- 2.98   0.255% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  22.38 +/- 6.43   0.329% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 265.8:
    * O T HG12  ILE  119 - QG2   ILE  119   3.14 +/- 0.19  82.084% * 99.4466% (1.00  10.0 10.00   6.59 265.88) =  99.988%  kept
          HB3   PHE   72 - QG2   ILE  119  12.90 +/- 3.69   4.862% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   ASP- 105 - QG2   ILE  119  10.53 +/- 3.34   4.940% *  0.0307% (0.31   1.0  1.00   0.02   0.12) =   0.002%
          HB2   ASP-  44 - QG2   ILE  119  11.99 +/- 1.75   2.107% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QG2   ILE  119  21.08 +/- 5.70   1.525% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QG2   ILE  119  16.00 +/- 2.75   0.966% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   ILE  119  17.90 +/- 4.11   0.914% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE  119  17.20 +/- 3.15   0.811% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   ILE  119  19.54 +/- 1.92   0.383% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  20.18 +/- 5.52   0.884% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  18.44 +/- 2.81   0.524% *  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 = 6.33, residual support = 265.9:
    * O T HG13  ILE  119 - QG2   ILE  119   2.60 +/- 0.27  78.160% * 99.6771% (1.00  10.0 10.00   6.33 265.88) =  99.990%  kept
          HD3   LYS+ 112 - QG2   ILE  119   9.42 +/- 2.04   4.326% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   20 - QG2   ILE  119  13.80 +/- 4.22   2.017% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG2   ILE  119   7.43 +/- 0.64   4.036% *  0.0308% (0.31   1.0  1.00   0.02   8.24) =   0.002%
          QG1   VAL  107 - QG2   ILE  119   7.45 +/- 1.71   4.898% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   8.09 +/- 1.66   4.582% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   ILE  119  16.97 +/- 5.56   1.527% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  18.46 +/- 4.39   0.454% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.84, residual support = 265.9:
    *   T QD1   ILE  119 - QG2   ILE  119   1.90 +/- 0.13  98.544% * 99.8078% (0.97 10.00   5.84 265.88) =  99.999%  kept
          HB2   LEU  104 - QG2   ILE  119  12.53 +/- 3.84   0.676% *  0.0751% (0.73  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QG2   ILE  119  11.81 +/- 1.51   0.490% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  14.75 +/- 2.21   0.290% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 7.1, residual support = 241.7:
    * O T HA    ILE  119 - HG12  ILE  119   2.63 +/- 0.39  86.077% * 50.8167% (1.00  10.0 10.00   7.22 265.88) =  88.288%  kept
        T HA    THR  118 - HG12  ILE  119   5.66 +/- 0.43  11.831% * 49.0416% (0.97   1.0 10.00   6.26  59.45) =  11.711%  kept
          HA2   GLY  109 - HG12  ILE  119  13.57 +/- 2.03   0.906% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG12  ILE  119  18.49 +/- 3.60   0.579% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG12  ILE  119  21.16 +/- 2.07   0.194% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  17.09 +/- 2.41   0.414% *  0.0089% (0.18   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 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.32, residual support = 265.9:
    * O T HB    ILE  119 - HG12  ILE  119   2.58 +/- 0.19  92.674% * 98.6651% (0.87  10.0 10.00   6.32 265.88) =  99.989%  kept
        T HB2   ARG+  54 - HG12  ILE  119  13.95 +/- 2.47   0.971% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PRO   68 - HG12  ILE  119  15.84 +/- 3.34   0.790% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG12  ILE  119  19.59 +/- 4.37   0.558% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG12  ILE  119  19.47 +/- 4.45   0.607% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG12  ILE  119  13.95 +/- 2.06   0.805% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG12  ILE  119  12.12 +/- 1.37   1.018% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG12  ILE  119  13.06 +/- 2.67   1.414% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  18.90 +/- 3.73   0.485% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  22.13 +/- 3.95   0.191% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  19.86 +/- 2.93   0.242% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  25.40 +/- 6.23   0.246% *  0.0284% (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 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 6.56, residual support = 264.9:
    * O T QG2   ILE  119 - HG12  ILE  119   3.14 +/- 0.19  75.384% * 97.9375% (1.00  10.0 10.00   6.59 265.88) =  99.627%  kept
          QD2   LEU   71 - HG12  ILE  119  13.82 +/- 4.43  14.612% *  1.8694% (0.87   1.0  1.00   0.44   0.02) =   0.369%  kept
          QD1   ILE  103 - HG12  ILE  119  14.79 +/- 2.35   0.963% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  119  11.59 +/- 3.03   3.217% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  11.64 +/- 3.27   3.049% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  12.67 +/- 2.81   1.703% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  16.16 +/- 3.89   1.071% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.71, residual support = 265.9:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  90.800% * 99.6771% (1.00  10.0 10.00   6.71 265.88) =  99.997%  kept
          HD3   LYS+ 112 - HG12  ILE  119   9.64 +/- 2.06   1.257% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HG12  ILE  119   6.43 +/- 1.95   4.111% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  119   7.08 +/- 1.89   2.250% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.05 +/- 0.84   0.837% *  0.0308% (0.31   1.0  1.00   0.02   8.24) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  18.82 +/- 5.76   0.407% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG12  ILE  119  15.55 +/- 3.92   0.243% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.42 +/- 4.20   0.094% *  0.0995% (1.00   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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 265.9:
    * O T QD1   ILE  119 - HG12  ILE  119   2.14 +/- 0.02  98.139% * 99.8078% (0.97  10.0 10.00   5.88 265.88) =  99.999%  kept
          HB2   LEU  104 - HG12  ILE  119  13.13 +/- 3.88   0.731% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HG12  ILE  119  11.74 +/- 1.75   0.730% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  14.99 +/- 2.35   0.401% *  0.0586% (0.57   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 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.78, residual support = 240.1:
    * O T HA    ILE  119 - HG13  ILE  119   3.07 +/- 0.53  84.321% * 50.8167% (1.00  10.0 10.00   6.88 265.88) =  87.489%  kept
        T HA    THR  118 - HG13  ILE  119   6.53 +/- 0.76  12.492% * 49.0416% (0.97   1.0 10.00   6.06  59.45) =  12.509%  kept
          HA2   GLY  109 - HG13  ILE  119  14.50 +/- 2.49   1.513% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  18.86 +/- 3.62   0.611% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG13  ILE  119  21.94 +/- 2.24   0.347% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  17.63 +/- 2.61   0.716% *  0.0089% (0.18   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 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.05, residual support = 265.9:
    * O T HB    ILE  119 - HG13  ILE  119   2.68 +/- 0.35  90.476% * 99.2403% (0.87  10.0 10.00   6.05 265.88) =  99.992%  kept
          HB2   GLN   30 - HG13  ILE  119  19.92 +/- 4.73   1.652% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HG13  ILE  119  20.02 +/- 4.57   1.045% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG13  ILE  119  15.78 +/- 3.81   1.175% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  14.01 +/- 2.47   0.961% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  12.71 +/- 1.58   0.939% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  15.05 +/- 2.10   0.620% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG13  ILE  119  13.62 +/- 3.23   1.383% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  18.98 +/- 3.97   0.797% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  22.84 +/- 3.92   0.219% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  19.98 +/- 3.24   0.356% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  25.75 +/- 6.50   0.378% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.32, residual support = 265.5:
    * O T QG2   ILE  119 - HG13  ILE  119   2.60 +/- 0.27  87.888% * 97.7998% (1.00  10.0 10.00   6.33 265.88) =  99.851%  kept
          QD2   LEU   71 - HG13  ILE  119  14.14 +/- 4.57   6.290% *  2.0073% (0.87   1.0  1.00   0.47   0.02) =   0.147%  kept
          QD1   LEU   67 - HG13  ILE  119  11.87 +/- 3.30   2.399% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HG13  ILE  119  15.70 +/- 2.08   0.480% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG13  ILE  119  16.41 +/- 4.19   0.730% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  12.24 +/- 3.30   1.396% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  13.61 +/- 2.49   0.816% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.71, residual support = 265.9:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  95.786% * 99.4466% (1.00  10.0 10.00   6.71 265.88) =  99.997%  kept
          HB3   PHE   72 - HG13  ILE  119  13.76 +/- 4.60   2.458% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HG13  ILE  119  12.17 +/- 1.92   0.455% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  11.51 +/- 3.18   0.608% *  0.0307% (0.31   1.0  1.00   0.02   0.12) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.08 +/- 3.08   0.210% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  24.36 +/- 5.54   0.098% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  21.04 +/- 4.30   0.083% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  21.52 +/- 2.17   0.059% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  20.28 +/- 3.46   0.084% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  24.00 +/- 6.07   0.079% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  20.12 +/- 2.88   0.078% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.61, residual support = 265.9:
    * O T QD1   ILE  119 - HG13  ILE  119   2.14 +/- 0.02  98.453% * 99.8078% (0.97  10.0 10.00   5.61 265.88) =  99.999%  kept
          HB2   LEU  104 - HG13  ILE  119  14.07 +/- 3.67   0.558% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  12.68 +/- 1.82   0.605% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  15.61 +/- 2.50   0.385% *  0.0586% (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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.1, residual support = 257.6:
    *   T HA    ILE  119 - QD1   ILE  119   3.17 +/- 0.73  80.028% * 78.4067% (0.97 10.00   6.13 265.88) =  95.966%  kept
          HA    THR  118 - QD1   ILE  119   6.33 +/- 0.32  12.382% * 21.2511% (0.93  1.00   5.62  59.45) =   4.024%  kept
          HB2   TRP   49 - QD1   ILE  119  15.02 +/- 3.62   2.731% *  0.0777% (0.96  1.00   0.02   0.02) =   0.003%
        T HA    VAL   75 - QD1   ILE  119  14.37 +/- 2.46   1.334% *  0.1373% (0.17 10.00   0.02   0.02) =   0.003%
          HA2   GLY  109 - QD1   ILE  119  12.27 +/- 1.91   2.900% *  0.0569% (0.70  1.00   0.02   0.02) =   0.003%
          HA    ALA   84 - QD1   ILE  119  18.07 +/- 2.09   0.626% *  0.0703% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 265.8:
    * O T HB    ILE  119 - QD1   ILE  119   2.67 +/- 0.39  82.071% * 98.5836% (0.84  10.0 10.00   5.56 265.88) =  99.977%  kept
        T HB    VAL  108 - QD1   ILE  119  12.77 +/- 1.57   0.974% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.009%
          HB3   PRO   68 - QD1   ILE  119  12.92 +/- 3.28   4.326% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.005%
          HG3   GLN   30 - QD1   ILE  119  16.38 +/- 4.16   1.499% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QD1   ILE  119  10.92 +/- 2.69   2.028% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - QD1   ILE  119  11.11 +/- 2.75   3.927% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QD1   ILE  119  16.35 +/- 4.11   1.194% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119  10.68 +/- 1.23   1.457% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD1   ILE  119  19.12 +/- 3.47   0.505% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE  119  15.41 +/- 2.95   0.684% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  16.38 +/- 2.38   0.617% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  21.02 +/- 5.61   0.718% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.83, residual support = 265.3:
    *   T QG2   ILE  119 - QD1   ILE  119   1.90 +/- 0.13  82.498% * 98.4754% (0.97 10.00   5.84 265.88) =  99.780%  kept
          QD2   LEU   71 - QD1   ILE  119  11.60 +/- 3.85  13.394% *  1.3304% (0.84  1.00   0.31   0.02) =   0.219%  kept
          QD1   ILE  103 - QD1   ILE  119  13.15 +/- 1.76   0.329% *  0.0932% (0.91  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   ILE  119   9.59 +/- 2.83   1.512% *  0.0195% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  10.17 +/- 2.84   1.282% *  0.0172% (0.17  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  13.38 +/- 3.58   0.471% *  0.0370% (0.36  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.47 +/- 2.13   0.514% *  0.0274% (0.27  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 265.9:
    * O T HG12  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  90.058% * 99.4466% (0.97  10.0 10.00   5.88 265.88) =  99.993%  kept
          HB3   PHE   72 - QD1   ILE  119  11.26 +/- 3.91   4.617% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  44 - QD1   ILE  119   9.93 +/- 1.77   1.470% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QD1   ILE  119   9.86 +/- 2.68   1.545% *  0.0307% (0.30   1.0  1.00   0.02   0.12) =   0.001%
          HG3   MET   92 - QD1   ILE  119  14.12 +/- 2.62   0.671% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD1   ILE  119  20.02 +/- 4.80   0.431% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.26 +/- 3.27   0.240% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  17.75 +/- 1.90   0.188% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  16.63 +/- 2.59   0.281% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.41 +/- 2.75   0.287% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  19.68 +/- 4.82   0.214% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.61, residual support = 265.9:
    * O T HG13  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  77.381% * 99.6771% (0.97  10.0 10.00   5.61 265.88) =  99.989%  kept
          HD3   LYS+ 112 - QD1   ILE  119   7.93 +/- 2.25  10.387% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL  107 - QD1   ILE  119   6.36 +/- 1.43   5.045% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   ILE  119  12.70 +/- 3.61   0.939% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD1   ILE  119   6.82 +/- 1.59   3.720% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   ILE  119   8.74 +/- 0.87   1.312% *  0.0308% (0.30   1.0  1.00   0.02   8.24) =   0.001%
          QG1   VAL   24 - QD1   ILE  119  15.63 +/- 4.99   0.963% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QD1   ILE  119  17.33 +/- 3.67   0.254% *  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 = 0.941, support = 2.32, residual support = 13.4:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.02  91.715% * 85.5096% (0.95  10.0 10.00   2.31  13.48) =  99.371%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.68 +/- 0.82   3.540% * 13.9474% (0.15   1.0 10.00   4.40   2.71) =   0.626%  kept
          HG    LEU  115 - HA    ALA  120  10.37 +/- 1.22   0.916% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  16.85 +/- 2.02   0.209% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  18.22 +/- 5.41   0.404% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  20.81 +/- 6.37   1.515% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.78 +/- 0.71   0.735% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  17.14 +/- 5.00   0.503% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  18.29 +/- 5.14   0.343% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  21.45 +/- 3.66   0.119% *  0.0440% (0.49   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 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.938, support = 2.35, residual support = 13.2:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.02  75.695% * 83.9845% (0.95  10.0 10.00   2.31  13.48) =  97.010%  kept
          HA    LYS+ 121 - QB    ALA  120   3.82 +/- 0.05  13.077% * 13.3645% (0.72   1.0  1.00   4.16   2.71) =   2.667%  kept
          QB    SER  117 - QB    ALA  120   4.48 +/- 0.52   9.461% *  2.2245% (0.39   1.0  1.00   1.29   5.21) =   0.321%  kept
          HA2   GLY   16 - QB    ALA  120  19.55 +/- 5.40   0.613% *  0.0701% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QB    ALA  120  15.49 +/- 1.84   0.236% *  0.0642% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.49 +/- 1.25   0.210% *  0.0701% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  18.52 +/- 2.79   0.167% *  0.0775% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  18.41 +/- 2.82   0.191% *  0.0577% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  22.61 +/- 2.22   0.074% *  0.0701% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  17.04 +/- 2.74   0.276% *  0.0166% (0.19   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 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 = 0.943, support = 7.96, residual support = 298.6:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.11  46.888% * 76.3616% (1.00  10.0 10.00   8.30 313.78) =  93.182%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.52 +/- 0.60  31.164% *  4.7822% (0.06   1.0 10.00   4.86 158.79) =   3.879%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.90 +/- 0.70   6.795% * 16.4697% (0.31   1.0 10.00   1.40   2.86) =   2.912%  kept
        T QD    LYS+  65 - HA    LYS+ 121  16.71 +/- 2.50   0.643% *  0.7619% (1.00   1.0 10.00   0.02   0.02) =   0.013%
        T QD    LYS+  38 - HA    LYS+ 121  20.71 +/- 6.41   0.289% *  0.6848% (0.90   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - HA    LYS+ 121  18.60 +/- 6.71   0.483% *  0.4018% (0.53   1.0 10.00   0.02   0.02) =   0.005%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.78 +/- 1.66   0.198% *  0.2123% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+  65   9.64 +/- 3.98   7.582% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  16.44 +/- 2.00   0.358% *  0.0479% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.53 +/- 2.57   0.611% *  0.0236% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  17.33 +/- 1.94   0.288% *  0.0430% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.60 +/- 2.95   0.141% *  0.0463% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.07 +/- 2.96   0.075% *  0.0748% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.29 +/- 2.38   0.199% *  0.0260% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  18.02 +/- 3.16   0.287% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  21.83 +/- 4.03   0.317% *  0.0133% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.50 +/- 2.18   0.134% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.62 +/- 2.51   2.099% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  15.99 +/- 4.81   1.130% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  18.60 +/- 3.91   0.319% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 313.8:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.71 +/- 0.60  81.092% * 99.6412% (1.00  10.0 10.00   7.34 313.78) =  99.992%  kept
          QG2   VAL  107 - HA    LYS+ 121  11.05 +/- 2.01   2.132% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HA    LYS+ 121  18.98 +/- 5.65   2.384% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HA    LYS+ 121   8.80 +/- 0.52   3.310% *  0.0308% (0.31   1.0  1.00   0.02   8.24) =   0.001%
          HB3   LEU   31 - HA    LYS+ 121  22.23 +/- 6.91   2.022% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HA    LYS+ 121  17.89 +/- 5.59   0.897% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HA    LYS+  65  18.24 +/- 2.66   0.519% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  11.94 +/- 3.88   4.032% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  12.78 +/- 2.24   1.150% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  12.99 +/- 2.21   1.635% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  18.54 +/- 2.91   0.359% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  17.18 +/- 2.42   0.469% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 6.71, residual support = 312.6:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.10 +/- 0.49  71.451% * 96.8495% (1.00  10.0 10.00   6.73 313.78) =  99.615%  kept
          QD2   LEU  123 - HA    LYS+ 121   6.80 +/- 0.87   9.815% *  2.6503% (0.49   1.0  1.00   1.12   2.86) =   0.374%  kept
        T QD2   LEU   73 - HA    LYS+ 121  16.63 +/- 3.85   1.149% *  0.3304% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - HA    LYS+  65   8.51 +/- 2.05   8.138% *  0.0207% (0.02   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LYS+ 121  12.49 +/- 1.36   1.880% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    LYS+ 121  22.23 +/- 6.96   2.591% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HA    LYS+  65  17.79 +/- 2.46   0.652% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    LYS+  65  11.26 +/- 1.70   2.407% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  14.35 +/- 2.82   1.102% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  16.31 +/- 2.91   0.816% *  0.0014% (0.01   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 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.695, support = 7.77, residual support = 305.4:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.68 +/- 0.68  19.887% * 69.2258% (1.00   1.0 10.00   7.69 313.78) =  57.641%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.59 +/- 0.20  41.690% * 21.3664% (0.31  10.0 10.00   8.22 313.78) =  37.297%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.30 +/- 0.72  25.697% *  4.3065% (0.06  10.0 10.00   5.40 158.79) =   4.633%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.57 +/- 0.63   2.784% *  3.4792% (0.05   1.0 10.00   5.45  29.88) =   0.406%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.92 +/- 4.89   0.553% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   LYS+  65 - HA    LYS+ 121  18.15 +/- 2.10   0.150% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   26 - HA    LYS+ 121  20.64 +/- 6.30   0.515% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+  65  10.00 +/- 4.27   3.697% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  14.69 +/- 7.06   0.683% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  22.00 +/- 3.13   0.082% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.04 +/- 2.55   0.177% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  16.74 +/- 6.13   0.555% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   9.67 +/- 3.30   1.871% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.74 +/- 3.53   0.098% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.56 +/- 1.55   0.175% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.15 +/- 2.30   0.191% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.83 +/- 3.44   0.494% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.09 +/- 1.73   0.376% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.49 +/- 2.88   0.175% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.58 +/- 3.04   0.152% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.964, support = 6.66, residual support = 256.8:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.91 +/- 0.88  60.695% * 55.1353% (1.00   6.70 313.78) =  78.028%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.97 +/- 0.28  21.098% * 44.6203% (0.84   6.50  54.49) =  21.950%  kept
          HG2   GLN   30 - HA    LYS+ 121  22.51 +/- 7.31   5.266% *  0.1130% (0.69   0.02   0.02) =   0.014%
          HB3   ASN   28 - HA    LYS+ 121  26.19 +/- 8.68   3.860% *  0.0737% (0.45   0.02   0.02) =   0.007%
          HB3   HIS  122 - HA    LYS+  65  14.81 +/- 2.88   1.856% *  0.0086% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  16.12 +/- 2.50   1.452% *  0.0103% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  15.41 +/- 3.75   1.645% *  0.0071% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  27.17 +/- 3.09   0.333% *  0.0254% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  18.01 +/- 4.80   3.036% *  0.0016% (0.01   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  19.94 +/- 2.96   0.757% *  0.0046% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 8.22, residual support = 305.0:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.95 +/- 0.11  78.490% * 81.8705% (1.00  10.0 10.00   8.30 313.78) =  97.180%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.81 +/- 0.28  10.639% * 17.4520% (0.76   1.0  1.00   5.58   2.71) =   2.808%  kept
          QB    SER  117 - HB2   LYS+ 121   7.19 +/- 0.91   6.698% *  0.0684% (0.84   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LYS+  65 - HB2   LYS+ 121  16.44 +/- 2.00   0.592% *  0.2793% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HB2   LYS+ 121  21.59 +/- 4.08   0.761% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   LYS+ 121  16.54 +/- 2.30   0.530% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  12.12 +/- 1.52   1.381% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  21.07 +/- 3.12   0.276% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  21.00 +/- 5.82   0.478% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  24.74 +/- 2.97   0.157% *  0.0337% (0.41   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 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 = 313.7:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.78 +/- 0.22  86.658% * 99.7211% (1.00  10.0 10.00   7.75 313.78) =  99.991%  kept
          QG2   VAL  107 - HB2   LYS+ 121   9.28 +/- 2.41   4.426% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          HG13  ILE  119 - HB2   LYS+ 121   7.33 +/- 0.76   5.639% *  0.0308% (0.31   1.0  1.00   0.02   8.24) =   0.002%
          QB    ALA   20 - HB2   LYS+ 121  17.56 +/- 4.93   1.828% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB2   LYS+ 121  15.86 +/- 5.66   0.813% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.51 +/- 6.15   0.635% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 7.08, residual support = 308.6:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.74 +/- 0.25  89.415% * 79.6512% (1.00  10.0 10.00   7.18 313.78) =  98.332%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.36 +/- 0.85   6.013% * 20.0110% (0.49   1.0 10.00   1.03   2.86) =   1.661%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  14.70 +/- 3.77   1.418% *  0.2717% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HB2   LYS+ 121  10.85 +/- 1.42   1.946% *  0.0483% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   LYS+ 121  20.42 +/- 6.24   1.208% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 0.726, support = 8.43, residual support = 313.7:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.47 +/- 0.58  31.282% * 74.7463% (1.00  10.0 10.00   8.21 313.78) =  60.399%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  66.432% * 23.0703% (0.31  10.0 10.00   8.77 313.78) =  39.589%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  14.56 +/- 4.58   0.443% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.31 +/- 2.09   0.108% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.37 +/- 3.56   0.073% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HB2   LYS+ 121  19.26 +/- 5.51   0.348% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  13.13 +/- 6.83   0.751% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.69 +/- 3.07   0.057% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  15.05 +/- 5.52   0.384% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.25 +/- 1.82   0.124% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 7.01, residual support = 258.0:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.66 +/- 0.46  66.144% * 56.8207% (1.00   7.16 313.78) =  78.494%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.38 +/- 0.47  23.938% * 42.9745% (0.84   6.48  54.49) =  21.485%  kept
          HG2   GLN   30 - HB2   LYS+ 121  20.84 +/- 6.39   8.303% *  0.1090% (0.69   0.02   0.02) =   0.019%
          HB3   ASN   28 - HB2   LYS+ 121  24.60 +/- 7.52   1.377% *  0.0712% (0.45   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   LYS+ 121  24.85 +/- 2.84   0.238% *  0.0245% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 7.3, residual support = 308.8:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.71 +/- 0.60  82.525% * 84.3309% (1.00  10.0 10.00   7.34 313.78) =  98.399%  kept
          HA    ALA  120 - HG2   LYS+ 121   7.01 +/- 0.46   7.514% * 14.9712% (0.76   1.0  1.00   4.65   2.71) =   1.591%  kept
          QB    SER  117 - HG2   LYS+ 121   8.33 +/- 1.37   5.868% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  65 - HG2   LYS+ 121  18.24 +/- 2.66   0.523% *  0.2877% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+ 121  18.11 +/- 2.83   0.599% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HG2   LYS+ 121  23.43 +/- 4.50   0.569% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG2   LYS+ 121  14.26 +/- 2.06   1.419% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  22.64 +/- 3.46   0.248% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  22.21 +/- 6.50   0.538% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  25.81 +/- 3.62   0.199% *  0.0347% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.75, residual support = 313.8:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.78 +/- 0.22  89.377% * 99.4783% (1.00  10.0 10.00   7.75 313.78) =  99.994%  kept
          QD    LYS+  65 - HG2   LYS+ 121  16.72 +/- 2.85   1.493% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HG2   LYS+ 121   8.08 +/- 0.69   4.173% *  0.0307% (0.31   1.0  1.00   0.02   2.86) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 121  17.52 +/- 7.43   2.394% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG2   LYS+ 121  20.10 +/- 6.34   0.511% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+ 121  14.60 +/- 2.62   1.018% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.94 +/- 3.42   0.274% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.03 +/- 3.72   0.137% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.89 +/- 2.06   0.303% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  19.00 +/- 2.62   0.319% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 313.8:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  97.847% * 99.3314% (1.00  10.0 10.00   6.31 313.78) =  99.997%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  15.90 +/- 4.36   0.426% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   31 - HG2   LYS+ 121  21.60 +/- 6.99   0.284% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.36 +/- 0.99   1.110% *  0.0483% (0.49   1.0  1.00   0.02   2.86) =   0.001%
          QD1   ILE   56 - HG2   LYS+ 121  12.67 +/- 1.33   0.332% *  0.0602% (0.61   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 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.819, support = 7.32, residual support = 313.7:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.86 +/- 0.10  43.176% * 75.5250% (1.00  10.0 10.00   7.19 313.78) =  73.870%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.74 +/- 0.22  49.450% * 23.3106% (0.31  10.0 10.00   7.70 313.78) =  26.113%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  16.09 +/- 4.80   0.824% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU  104 - HG2   LYS+ 121  13.57 +/- 7.75   2.573% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 111 - HG2   LYS+ 121  16.72 +/- 2.62   0.273% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG2   LYS+ 121  20.54 +/- 5.86   0.623% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG2   LYS+ 121  16.01 +/- 6.39   2.514% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG2   LYS+ 121  18.20 +/- 2.60   0.265% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.40 +/- 3.45   0.130% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.02 +/- 4.14   0.171% *  0.0577% (0.76   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 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 6.29, residual support = 307.5:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.73 +/- 0.51  84.903% * 81.5972% (1.00  10.0   6.31 313.78) =  97.569%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.83 +/- 0.77   9.417% * 18.2976% (0.84   1.0   5.37  54.49) =   2.427%  kept
          HG2   GLN   30 - HG2   LYS+ 121  22.20 +/- 7.06   4.574% *  0.0560% (0.69   1.0   0.02   0.02) =   0.004%
          HB3   ASN   28 - HG2   LYS+ 121  25.77 +/- 8.40   0.964% *  0.0366% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  26.42 +/- 2.80   0.143% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.993, support = 6.68, residual support = 308.9:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.10 +/- 0.49  50.143% * 84.9674% (1.00  10.0 10.00   6.73 313.78) =  98.426%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.36 +/- 0.54   3.811% * 12.9644% (0.76   1.0  1.00   3.99   2.71) =   1.141%  kept
          HA    PHE   60 - QD2   LEU   73   9.20 +/- 3.74  20.790% *  0.8215% (0.09   1.0  1.00   2.04   1.55) =   0.395%  kept
        T HA    LYS+  65 - QD2   LEU   73   8.51 +/- 2.05   5.815% *  0.0988% (0.12   1.0 10.00   0.02   0.02) =   0.013%
          QB    SER  117 - HG3   LYS+ 121   8.18 +/- 1.39   3.420% *  0.0710% (0.84   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+ 121 - QD2   LEU   73  16.63 +/- 3.85   0.647% *  0.2897% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HA2   GLY   51 - HG3   LYS+ 121  23.45 +/- 4.80   2.002% *  0.0842% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HG3   LYS+ 121  17.79 +/- 2.46   0.473% *  0.2898% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   94 - QD2   LEU   73  10.77 +/- 2.27   3.503% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - QD2   LEU   73  14.56 +/- 3.87   3.157% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG3   LYS+ 121  17.72 +/- 2.59   0.403% *  0.0842% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD2   LEU   73  16.97 +/- 3.88   0.899% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD2   LEU   73  13.47 +/- 2.26   0.835% *  0.0274% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HG3   LYS+ 121  22.47 +/- 3.34   0.233% *  0.0804% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  14.01 +/- 1.93   0.747% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  13.93 +/- 4.87   1.245% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  21.83 +/- 6.25   0.400% *  0.0349% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.92 +/- 3.93   0.592% *  0.0221% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.14 +/- 1.92   0.758% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  25.40 +/- 3.44   0.128% *  0.0349% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.992, support = 7.14, residual support = 310.9:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.74 +/- 0.25  70.160% * 85.5002% (1.00  10.0 10.00   7.18 313.78) =  98.999%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.84 +/- 0.96   6.817% *  4.8133% (0.21   1.0  1.00   5.44  43.08) =   0.542%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.53 +/- 0.95   3.044% *  8.8378% (0.31   1.0 10.00   0.67   2.86) =   0.444%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  14.70 +/- 3.77   1.104% *  0.2916% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - HG3   LYS+ 121  16.36 +/- 2.93   2.018% *  0.0853% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HG3   LYS+ 121  16.97 +/- 7.20   2.184% *  0.0450% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - QD2   LEU   73   9.54 +/- 1.68   2.770% *  0.0291% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QD2   LEU   73  11.02 +/- 2.59   2.131% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 121  19.50 +/- 6.13   0.766% *  0.0767% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QD2   LEU   73  11.27 +/- 3.31   3.794% *  0.0090% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU   73  12.34 +/- 1.47   0.918% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  14.56 +/- 2.95   0.844% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  20.58 +/- 3.10   0.228% *  0.0519% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.54 +/- 3.30   0.125% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  13.02 +/- 2.47   1.028% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.38 +/- 2.45   0.665% *  0.0153% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  18.93 +/- 2.25   0.260% *  0.0238% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.66 +/- 1.84   0.211% *  0.0292% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.66 +/- 3.98   0.565% *  0.0090% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  18.75 +/- 4.10   0.369% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.8:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  87.564% * 98.9593% (1.00  10.0 10.00   6.31 313.78) =  99.992%  kept
        T HB3   LEU   31 - QD2   LEU   73   9.09 +/- 2.97   1.462% *  0.0938% (0.09   1.0 10.00   0.02   0.41) =   0.002%
        T HG2   LYS+ 121 - QD2   LEU   73  15.90 +/- 4.36   0.381% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD2   LEU   73   7.61 +/- 3.76   4.631% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - HG3   LYS+ 121  20.75 +/- 7.06   0.334% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG3   LYS+ 121  10.40 +/- 2.49   0.672% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD2   LEU   73  10.38 +/- 2.56   1.809% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HG3   LYS+ 121  18.62 +/- 5.11   0.510% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.64 +/- 0.76   0.577% *  0.0305% (0.31   1.0  1.00   0.02   8.24) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.30 +/- 4.08   1.268% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  15.99 +/- 6.31   0.254% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.49 +/- 2.57   0.538% *  0.0164% (0.17   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 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 = 0.775, support = 6.71, residual support = 310.2:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.89 +/- 0.10  27.382% * 67.7522% (1.00  10.0 10.00   6.60 313.78) =  67.626%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.51 +/- 0.26  40.726% * 20.9115% (0.31  10.0 10.00   7.03 313.78) =  31.045%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.68 +/- 0.93   5.019% *  5.3064% (0.26   1.0  1.00   6.01  43.08) =   0.971%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.73 +/- 1.10   1.908% *  4.5722% (0.07   1.0 10.00   2.90  43.08) =   0.318%  kept
        T QD    LYS+  66 - HG3   LYS+ 121  15.74 +/- 4.63   0.573% *  0.5425% (0.80   1.0 10.00   0.02   0.02) =   0.011%
          QG2   THR   26 - QD2   LEU   73   7.45 +/- 3.80  11.737% *  0.0223% (0.33   1.0  1.00   0.02   0.02) =   0.010%
        T HD2   LYS+ 121 - QD2   LEU   73  15.03 +/- 4.05   0.727% *  0.2310% (0.34   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  66 - QD2   LEU   73  11.14 +/- 1.32   0.548% *  0.1850% (0.27   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   26 - HG3   LYS+ 121  19.93 +/- 5.97   0.731% *  0.0654% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 121 - QD2   LEU   73  15.16 +/- 3.86   0.648% *  0.0713% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG3   LYS+ 121  15.36 +/- 6.13   3.685% *  0.0119% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  65 - QD2   LEU   73   9.91 +/- 2.13   1.870% *  0.0229% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HG3   LYS+ 121  12.95 +/- 7.48   1.900% *  0.0209% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG3   LYS+ 121  17.80 +/- 2.65   0.202% *  0.0672% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  21.08 +/- 3.10   0.086% *  0.1341% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.61 +/- 3.82   0.116% *  0.0518% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  12.24 +/- 2.56   0.597% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   9.36 +/- 1.31   1.007% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  16.68 +/- 2.16   0.173% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  16.88 +/- 4.01   0.364% *  0.0051% (0.08   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 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.98, residual support = 310.2:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.45 +/- 0.44  63.457% * 82.0189% (1.00  10.0   6.00 313.78) =  98.646%  kept
          HB3   HIS  122 - HG3   LYS+ 121   7.14 +/- 0.78   3.504% * 17.3323% (0.84   1.0   5.06  54.49) =   1.151%  kept
          HG2   GLN   30 - QD2   LEU   73   7.54 +/- 4.63  21.663% *  0.4749% (0.23   1.0   0.49   4.06) =   0.195%  kept
          HG2   GLN   30 - HG3   LYS+ 121  21.46 +/- 7.11   5.335% *  0.0563% (0.69   1.0   0.02   0.02) =   0.006%
          HB3   ASN   28 - HG3   LYS+ 121  25.03 +/- 8.35   1.931% *  0.0368% (0.45   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD2   LEU   73  13.99 +/- 3.69   1.185% *  0.0280% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   HIS  122 - QD2   LEU   73  14.49 +/- 3.61   0.881% *  0.0234% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD2   LEU   73  11.03 +/- 3.09   1.428% *  0.0125% (0.15   1.0   0.02   0.34) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  12.96 +/- 1.56   0.545% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  26.13 +/- 2.68   0.069% *  0.0127% (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 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.962, support = 7.25, residual support = 272.7:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.68 +/- 0.68  29.023% * 54.8091% (1.00 10.00   7.69 313.78) =  86.702%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.68 +/- 0.82   5.356% * 41.8867% (0.76 10.00   4.40   2.71) =  12.228%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.57 +/- 0.63   7.182% *  2.3248% (0.04 10.00   5.45  29.88) =   0.910%  kept
          QB    SER  117 - HD2   LYS+ 121   7.35 +/- 1.94   7.409% *  0.3024% (0.84  1.00   0.13   0.02) =   0.122%  kept
        T HA    LYS+  65 - HD3   LYS+  74  10.00 +/- 4.27   6.352% *  0.0292% (0.05 10.00   0.02   0.02) =   0.010%
        T HA    LYS+ 121 - QD    LYS+  66  15.92 +/- 4.89   1.400% *  0.0682% (0.12 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HD2   LYS+ 121  17.04 +/- 2.55   0.480% *  0.1870% (0.34 10.00   0.02   0.02) =   0.005%
          HA2   GLY   51 - HD3   LYS+  74  15.61 +/- 5.10   5.640% *  0.0085% (0.15  1.00   0.02   0.02) =   0.003%
          QB    SER   48 - QD    LYS+  66  16.03 +/- 5.47   6.767% *  0.0064% (0.12  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HD2   LYS+ 121  22.12 +/- 4.00   0.492% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+  74  11.60 +/- 4.25   2.943% *  0.0081% (0.15  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD    LYS+  66  14.65 +/- 4.01   4.061% *  0.0057% (0.10  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    LYS+  66  17.85 +/- 4.92   3.167% *  0.0068% (0.12  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 121  16.94 +/- 2.46   0.380% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD2   LYS+ 121  12.87 +/- 1.81   1.270% *  0.0152% (0.28  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+  74  22.00 +/- 3.13   0.197% *  0.0855% (0.16 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  66  16.09 +/- 5.04   5.382% *  0.0028% (0.05  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD2   LYS+ 121  21.64 +/- 6.13   0.532% *  0.0225% (0.41  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD3   LYS+  74  10.67 +/- 3.90   4.751% *  0.0024% (0.04  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD2   LYS+ 121  21.44 +/- 2.94   0.202% *  0.0518% (0.95  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+  74  12.74 +/- 2.01   1.080% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66  14.88 +/- 4.67   1.292% *  0.0052% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.63 +/- 1.22   2.213% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  16.63 +/- 3.39   0.571% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.16 +/- 3.20   0.392% *  0.0071% (0.13  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  24.99 +/- 3.05   0.119% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  16.48 +/- 2.44   0.503% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  21.31 +/- 3.78   0.232% *  0.0065% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  19.68 +/- 5.39   0.418% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  21.83 +/- 2.85   0.194% *  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 = 0.839, support = 7.35, residual support = 289.1:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.47 +/- 0.58  27.489% * 79.1506% (1.00  10.0 10.00   8.21 313.78) =  82.215%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  58.318% *  7.4880% (0.09  10.0  1.00   3.34 186.64) =  16.501%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.53 +/- 1.53   3.387% *  9.8204% (0.12   1.0 10.00   4.19  29.88) =   1.257%  kept
        T QD    LYS+  65 - HD3   LYS+  74   9.87 +/- 4.10   1.633% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  65 - HD2   LYS+ 121  15.67 +/- 2.78   0.207% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 102 - HD2   LYS+ 121  17.44 +/- 6.82   0.333% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HD2   LYS+ 121  20.01 +/- 5.41   0.074% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 121 - QD    LYS+  66  14.56 +/- 4.58   0.390% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.67 +/- 3.57   0.056% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  17.76 +/- 2.78   0.074% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   8.05 +/- 0.75   0.663% *  0.0244% (0.31   1.0  1.00   0.02   2.86) =   0.001%
          HG3   PRO   93 - HD3   LYS+  74  12.92 +/- 3.44   3.497% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - QD    LYS+  66  15.92 +/- 3.25   0.124% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  19.93 +/- 3.76   0.080% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  19.69 +/- 3.07   0.050% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  13.33 +/- 2.63   0.249% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  11.37 +/- 4.90   1.525% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  20.13 +/- 3.81   0.061% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  12.59 +/- 2.62   0.244% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.92 +/- 2.39   0.040% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  21.00 +/- 5.16   0.065% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  24.08 +/- 2.99   0.027% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  11.96 +/- 2.84   0.345% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  20.32 +/- 4.45   0.071% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  18.59 +/- 2.06   0.057% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.35 +/- 4.50   0.314% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.02 +/- 1.28   0.271% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  15.02 +/- 4.96   0.263% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  19.40 +/- 2.89   0.056% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  22.06 +/- 4.11   0.040% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.19, residual support = 313.7:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.86 +/- 0.10  60.864% * 99.3656% (1.00  10.0 10.00   7.19 313.78) =  99.985%  kept
          QG2   VAL  107 - HD2   LYS+ 121   9.57 +/- 2.79   2.853% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - HD3   LYS+  74   9.09 +/- 6.02  13.764% *  0.0124% (0.12   1.0  1.00   0.02   5.34) =   0.003%
        T HG2   LYS+ 121 - QD    LYS+  66  16.09 +/- 4.80   1.098% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HD2   LYS+ 121   8.25 +/- 0.99   2.801% *  0.0307% (0.31   1.0  1.00   0.02   8.24) =   0.001%
          QB    ALA   20 - HD2   LYS+ 121  18.19 +/- 4.87   0.824% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD    LYS+  66  12.51 +/- 3.32   3.449% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD    LYS+  66  11.81 +/- 3.82   8.937% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HD2   LYS+ 121  16.07 +/- 6.01   0.681% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.40 +/- 3.45   0.188% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  20.98 +/- 6.16   0.543% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  13.22 +/- 2.26   0.820% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  13.21 +/- 2.84   0.855% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.34 +/- 3.92   0.593% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  16.12 +/- 4.02   0.578% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  18.14 +/- 1.95   0.308% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  17.34 +/- 3.44   0.509% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.01 +/- 1.97   0.335% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 313.7:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.89 +/- 0.10  69.539% * 99.1222% (1.00  10.0 10.00   6.60 313.78) =  99.977%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  15.03 +/- 4.05   1.777% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.009%
        T QD2   LEU   73 - HD3   LYS+  74   7.73 +/- 1.10   5.088% *  0.0527% (0.05   1.0 10.00   0.02  43.08) =   0.004%
        T HG3   LYS+ 121 - QD    LYS+  66  15.74 +/- 4.63   1.856% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD2   LYS+ 121   8.05 +/- 1.12   4.219% *  0.0482% (0.49   1.0  1.00   0.02   2.86) =   0.003%
          QD1   ILE   56 - HD2   LYS+ 121  11.51 +/- 1.16   1.225% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD    LYS+  66  11.14 +/- 1.32   1.429% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HD3   LYS+  74  11.67 +/- 3.45   4.540% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD    LYS+  66  10.93 +/- 2.88   4.753% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HD3   LYS+  74  21.08 +/- 3.10   0.223% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HD2   LYS+ 121  20.96 +/- 6.16   0.856% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QD    LYS+  66  12.01 +/- 3.93   2.952% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.62 +/- 3.59   0.442% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.49 +/- 2.42   0.559% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  16.96 +/- 3.30   0.540% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.49, residual support = 309.6:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.31 +/- 0.14  80.073% * 80.1258% (1.00  10.0  1.00   6.51 313.78) =  98.410%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.31 +/- 1.13   5.394% * 19.0665% (0.84   1.0  1.00   5.70  54.49) =   1.577%  kept
        T HG2   GLN   30 - HD2   LYS+ 121  21.44 +/- 6.23   1.137% *  0.5504% (0.69   1.0 10.00   0.02   0.02) =   0.010%
          HB3   HIS  122 - QD    LYS+  66  12.49 +/- 5.23   8.633% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - HD3   LYS+  74  15.02 +/- 3.95   0.442% *  0.0858% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - QD    LYS+  66  16.66 +/- 2.99   0.281% *  0.0684% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  25.20 +/- 7.36   0.456% *  0.0359% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  14.28 +/- 4.30   1.148% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.96 +/- 2.97   0.187% *  0.0125% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  18.62 +/- 3.64   0.214% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.38 +/- 1.92   1.151% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  19.97 +/- 4.16   0.235% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.33 +/- 2.25   0.185% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  25.29 +/- 3.11   0.073% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  18.48 +/- 4.79   0.391% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.0:
    * O T HB2   HIS  122 - HA    HIS  122   2.51 +/- 0.19  99.344% * 99.8210% (1.00  10.0 10.00   3.44  75.97) =  99.999%  kept
          HA    LYS+ 112 - HA    HIS  122  15.96 +/- 0.98   0.415% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  19.97 +/- 2.87   0.240% *  0.0895% (0.90   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 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.994, support = 3.8, residual support = 75.2:
    * O T HB3   HIS  122 - HA    HIS  122   2.92 +/- 0.21  66.652% * 87.8665% (1.00  10.0 10.00   3.82  75.97) =  96.347%  kept
          QE    LYS+ 121 - HA    HIS  122   5.83 +/- 1.44  18.390% * 12.0520% (0.84   1.0  1.00   3.28  54.49) =   3.646%  kept
          HG2   GLN   30 - HA    HIS  122  20.96 +/- 7.37  14.092% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ASN   28 - HA    HIS  122  24.98 +/- 8.81   0.754% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  26.45 +/- 3.31   0.112% *  0.0361% (0.41   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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.0:
    * O T HA    HIS  122 - HB2   HIS  122   2.51 +/- 0.19  97.320% * 99.8702% (1.00  10.0 10.00   3.44  75.97) =  99.998%  kept
          HA    VAL   41 - HB2   HIS  122  16.45 +/- 6.29   2.242% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB2   HIS  122  19.12 +/- 2.28   0.261% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  22.29 +/- 2.82   0.177% *  0.0249% (0.25   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 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 = 75.9:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  95.444% * 85.9428% (1.00  10.0 10.00   4.40  75.97) =  99.531%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.17 +/- 1.65   2.764% * 13.9775% (0.84   1.0  1.00   3.89  54.49) =   0.469%  kept
          HG2   GLN   30 - HB2   HIS  122  20.05 +/- 7.05   1.374% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.28 +/- 8.34   0.378% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  25.17 +/- 3.67   0.040% *  0.0353% (0.41   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 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.82, residual support = 76.0:
    * O T HA    HIS  122 - HB3   HIS  122   2.92 +/- 0.21  96.642% * 99.8702% (1.00  10.0 10.00   3.82  75.97) =  99.998%  kept
          HA    VAL   41 - HB3   HIS  122  16.57 +/- 5.75   2.542% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB3   HIS  122  18.62 +/- 2.04   0.456% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.55 +/- 2.87   0.360% *  0.0249% (0.25   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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 76.0:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.655% * 99.8210% (1.00  10.0 10.00   4.40  75.97) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.03 +/- 1.35   0.214% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.08 +/- 3.12   0.130% *  0.0895% (0.90   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 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 203.9:
    * O T HB2   LEU  123 - HA    LEU  123   2.90 +/- 0.24  89.013% * 98.5720% (1.00  10.0 10.00   6.12 203.91) =  99.985%  kept
        T QD    LYS+  99 - HA    LEU  123  16.57 +/- 6.79   1.695% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 106 - HA    LEU  123  18.38 +/- 3.40   0.501% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HA    LEU  123   7.79 +/- 0.12   4.787% *  0.0304% (0.31   1.0  1.00   0.02   2.86) =   0.002%
          QD    LYS+  38 - HA    LEU  123  21.56 +/- 7.63   1.239% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LEU  123  21.84 +/- 4.05   0.493% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HA    LEU  123  15.91 +/- 3.18   0.951% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  22.23 +/- 6.02   0.339% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.61 +/- 1.63   0.289% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.64 +/- 3.31   0.282% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  22.32 +/- 4.32   0.299% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  28.36 +/- 3.27   0.113% *  0.0405% (0.41   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 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 203.9:
    * O T HB3   LEU  123 - HA    LEU  123   2.45 +/- 0.11  96.631% * 99.6484% (1.00  10.0 10.00   5.55 203.91) =  99.997%  kept
          QD    LYS+  33 - HA    LEU  123  22.01 +/- 7.55   1.760% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HA    LEU  123  13.93 +/- 2.45   0.794% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LEU  123  21.13 +/- 1.48   0.161% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  22.01 +/- 3.73   0.170% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  20.72 +/- 5.24   0.484% *  0.0197% (0.20   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 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.4, residual support = 203.3:
    * O T HG    LEU  123 - HA    LEU  123   3.57 +/- 0.56  67.521% * 97.2402% (0.69  10.0 10.00   5.41 203.91) =  99.719%  kept
          HG3   PRO   68 - HA    LEU  123  17.62 +/- 6.99  10.334% *  1.5783% (0.92   1.0  1.00   0.24   0.02) =   0.248%  kept
          QB    LYS+  33 - HA    LEU  123  22.83 +/- 7.48   6.862% *  0.1028% (0.73   1.0  1.00   0.02   0.02) =   0.011%
        T HB    ILE   56 - HA    LEU  123  14.48 +/- 3.08   1.794% *  0.2479% (0.18   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PRO   52 - HA    LEU  123  20.60 +/- 5.18   4.037% *  0.0972% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP- 105 - HA    LEU  123  15.32 +/- 5.25   1.957% *  0.1182% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HA    LEU  123  20.12 +/- 4.70   0.802% *  0.1228% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    LEU  123  14.16 +/- 4.72   3.707% *  0.0218% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  21.97 +/- 5.20   0.511% *  0.1270% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  17.42 +/- 2.93   0.830% *  0.0745% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU  123  20.95 +/- 5.80   0.856% *  0.0394% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    LEU  123  21.53 +/- 5.10   0.527% *  0.0582% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  30.66 +/- 2.89   0.125% *  0.0916% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  29.12 +/- 3.66   0.138% *  0.0801% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.96, residual support = 203.3:
    *   T QD1   LEU  123 - HA    LEU  123   2.66 +/- 0.77  72.823% * 98.4326% (1.00 10.00   5.98 203.91) =  99.706%  kept
          QG1   VAL   70 - HA    LEU  123  13.93 +/- 5.21  15.935% *  1.2710% (0.92  1.00   0.28   0.02) =   0.282%  kept
          QG1   VAL   18 - HA    LEU  123  15.79 +/- 4.55   4.608% *  0.0822% (0.84  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HA    LEU  123  16.53 +/- 5.99   3.366% *  0.0984% (1.00  1.00   0.02   0.02) =   0.005%
          HB3   LEU  104 - HA    LEU  123  16.56 +/- 6.45   1.528% *  0.0822% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    LEU  123  14.06 +/- 3.91   1.740% *  0.0336% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 2.90 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 203.9:
    *   T QD2   LEU  123 - HA    LEU  123   3.06 +/- 0.47  93.673% * 99.9316% (1.00 10.00   4.93 203.91) =  99.997%  kept
          HG3   LYS+ 121 - HA    LEU  123   8.99 +/- 0.66   4.378% *  0.0486% (0.49  1.00   0.02   2.86) =   0.002%
          HB3   LEU  104 - HA    LEU  123  16.56 +/- 6.45   1.949% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 203.9:
    * O T HA    LEU  123 - HB2   LEU  123   2.90 +/- 0.24  92.402% * 98.7431% (1.00  10.0 10.00   6.12 203.91) =  99.991%  kept
        T HA    LYS+  99 - HB2   LEU  123  20.67 +/- 5.81   0.532% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   56 - HB2   LEU  123  13.84 +/- 2.84   1.264% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LEU  123  12.40 +/- 2.14   2.021% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  13.42 +/- 2.26   1.206% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  19.87 +/- 6.12   0.801% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  25.48 +/- 6.67   0.334% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  22.95 +/- 6.59   0.844% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  25.72 +/- 8.44   0.595% *  0.0337% (0.34   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 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 = 5.43, residual support = 203.7:
    * O T HG    LEU  123 - HB2   LEU  123   2.42 +/- 0.25  78.217% * 97.4495% (0.69  10.0 10.00   5.44 203.91) =  99.883%  kept
          HG3   PRO   68 - HB2   LEU  123  17.99 +/- 6.63  14.164% *  0.5632% (0.92   1.0  1.00   0.09   0.02) =   0.105%  kept
          HB3   PRO   52 - HB2   LEU  123  19.54 +/- 4.32   3.073% *  0.0974% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HB2   LEU  123  16.42 +/- 2.44   0.329% *  0.7464% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HB2   LEU  123  14.56 +/- 4.67   0.732% *  0.1185% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HB2   LEU  123  21.16 +/- 5.03   0.212% *  0.3944% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   LEU  123  23.58 +/- 6.69   0.585% *  0.1030% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   LEU  123  19.38 +/- 4.09   0.422% *  0.1231% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LEU  123  14.27 +/- 4.28   0.982% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  21.48 +/- 4.37   0.163% *  0.1272% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  13.28 +/- 2.83   0.763% *  0.0248% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  21.13 +/- 4.32   0.178% *  0.0583% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  28.55 +/- 3.81   0.116% *  0.0803% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  29.59 +/- 2.70   0.065% *  0.0918% (0.65   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 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.96, residual support = 203.9:
    * O T QD1   LEU  123 - HB2   LEU  123   2.73 +/- 0.41  89.544% * 99.6081% (1.00  10.0 10.00   5.96 203.91) =  99.990%  kept
          QG1   VAL   70 - HB2   LEU  123  14.15 +/- 4.77   4.444% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HB2   LEU  123  15.96 +/- 4.72   2.338% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB2   LEU  123  17.12 +/- 5.83   1.471% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  16.36 +/- 5.60   0.960% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  13.82 +/- 3.65   1.242% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.996, support = 5.0, residual support = 202.4:
    * O T QD2   LEU  123 - HB2   LEU  123   2.86 +/- 0.26  94.214% * 85.9689% (1.00  10.0 10.00   5.03 203.91) =  99.241%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.53 +/- 0.95   4.420% * 14.0140% (0.49   1.0 10.00   0.67   2.86) =   0.759%  kept
          HB3   LEU  104 - HB2   LEU  123  16.36 +/- 5.60   1.366% *  0.0170% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 203.9:
    * O T HA    LEU  123 - HG    LEU  123   3.57 +/- 0.56  83.604% * 99.5102% (0.69  10.0 10.00   5.41 203.91) =  99.988%  kept
          HA    ILE   56 - HG    LEU  123  12.75 +/- 3.40   3.756% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.004%
          HA    ASP- 113 - HG    LEU  123  11.77 +/- 2.09   3.910% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - HG    LEU  123  12.38 +/- 2.50   3.646% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  123  20.42 +/- 5.33   0.999% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU  123  19.50 +/- 5.65   1.386% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU  123  25.15 +/- 6.22   0.580% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG    LEU  123  25.28 +/- 7.83   1.084% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  22.50 +/- 5.87   1.035% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 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   2.42 +/- 0.25  91.564% * 96.6014% (0.69  10.0 10.00   5.44 203.91) =  99.980%  kept
        T HG3   PRO   93 - HG    LEU  123  19.56 +/- 4.25   0.775% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  65 - HG    LEU  123  14.89 +/- 3.07   1.298% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   LYS+ 111 - HG    LEU  123  17.95 +/- 1.91   0.249% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG    LEU  123  22.12 +/- 4.76   0.198% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HG    LEU  123   7.43 +/- 0.93   3.555% *  0.0298% (0.21   1.0  1.00   0.02   2.86) =   0.001%
          QD    LYS+  99 - HG    LEU  123  16.95 +/- 5.44   0.963% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.37 +/- 3.42   0.380% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  22.13 +/- 6.30   0.386% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  17.28 +/- 2.55   0.324% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  21.42 +/- 4.48   0.218% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  27.08 +/- 2.84   0.089% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 5.13, residual support = 203.9:
    * O T HB3   LEU  123 - HG    LEU  123   2.76 +/- 0.19  96.193% * 97.8109% (0.69  10.0 10.00   5.13 203.91) =  99.984%  kept
        T QD    LYS+  33 - HG    LEU  123  22.40 +/- 6.32   0.887% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.009%
        T HD3   LYS+ 111 - HG    LEU  123  18.45 +/- 1.81   0.388% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HG    LEU  123  12.37 +/- 2.61   1.592% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   ARG+  54 - HG    LEU  123  18.83 +/- 4.86   0.615% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG    LEU  123  20.80 +/- 3.81   0.324% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.56, residual support = 203.9:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.01  95.399% * 99.6081% (0.69  10.0 10.00   5.56 203.91) =  99.996%  kept
          QG1   VAL   70 - HG    LEU  123  13.62 +/- 4.33   1.753% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HG    LEU  123  16.69 +/- 5.55   0.792% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU  123  15.33 +/- 4.17   0.680% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HG    LEU  123  16.33 +/- 5.26   0.471% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  12.89 +/- 3.58   0.905% *  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 = 4.61, residual support = 203.9:
    * O T QD2   LEU  123 - HG    LEU  123   2.11 +/- 0.02  97.861% * 99.9316% (0.69  10.0 10.00   4.61 203.91) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.06 +/- 1.21   1.664% *  0.0486% (0.33   1.0  1.00   0.02   2.86) =   0.001%
          HB3   LEU  104 - HG    LEU  123  16.33 +/- 5.26   0.476% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 203.9:
    *   T HA    LEU  123 - QD1   LEU  123   2.66 +/- 0.77  83.415% * 99.5102% (1.00 10.00   5.98 203.91) =  99.988%  kept
          HA    ILE   56 - QD1   LEU  123  10.26 +/- 2.84   3.223% *  0.0975% (0.98  1.00   0.02   0.02) =   0.004%
          HA    ASP- 113 - QD1   LEU  123  10.08 +/- 1.63   4.658% *  0.0524% (0.53  1.00   0.02   0.02) =   0.003%
          HA    PRO   58 - QD1   LEU  123   9.71 +/- 1.98   3.437% *  0.0373% (0.38  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - QD1   LEU  123  16.58 +/- 4.54   1.384% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD1   LEU  123  15.74 +/- 4.75   1.728% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU  123  20.43 +/- 5.36   0.493% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - QD1   LEU  123  20.49 +/- 6.42   0.927% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  18.31 +/- 4.55   0.735% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 5.94, residual support = 202.6:
    * O T HB2   LEU  123 - QD1   LEU  123   2.73 +/- 0.41  80.880% * 94.5697% (1.00  10.0 10.00   5.96 203.91) =  99.333%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.84 +/- 0.72  10.553% *  4.8210% (0.31   1.0  1.00   3.30   2.86) =   0.661%  kept
          HG3   PRO   93 - QD1   LEU  123  16.14 +/- 3.38   1.056% *  0.0944% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD1   LEU  123  18.08 +/- 5.28   1.340% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  123  18.22 +/- 4.27   0.656% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  13.76 +/- 4.71   1.432% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU  123  15.14 +/- 1.21   0.577% *  0.0848% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD1   LEU  123  11.95 +/- 2.69   1.478% *  0.0323% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU  123  17.72 +/- 2.77   0.485% *  0.0757% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  17.19 +/- 3.44   0.567% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  14.30 +/- 2.58   0.801% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.21 +/- 2.16   0.174% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 203.9:
    * O T HB3   LEU  123 - QD1   LEU  123   2.84 +/- 0.34  88.734% * 99.6484% (1.00  10.0 10.00   5.65 203.91) =  99.990%  kept
          QD    LYS+  33 - QD1   LEU  123  18.05 +/- 5.37   4.426% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   57 - QD1   LEU  123   9.88 +/- 2.12   3.933% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 111 - QD1   LEU  123  15.58 +/- 1.05   0.611% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  16.67 +/- 3.09   0.615% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  15.27 +/- 4.12   1.680% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.55, residual support = 203.6:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.01  78.581% * 97.6040% (0.69  10.0 10.00   5.56 203.91) =  99.864%  kept
          HG3   PRO   68 - QD1   LEU  123  13.78 +/- 5.41   6.475% *  1.4340% (0.92   1.0  1.00   0.22   0.02) =   0.121%  kept
          HB3   PRO   52 - QD1   LEU  123  15.14 +/- 3.91   5.367% *  0.0976% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+  33 - QD1   LEU  123  18.72 +/- 5.39   2.613% *  0.1032% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QD1   LEU  123  11.72 +/- 4.02   0.896% *  0.1187% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD1   LEU  123  14.75 +/- 3.73   0.537% *  0.1233% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU  123  10.66 +/- 3.87   2.676% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QD1   LEU  123   9.79 +/- 2.76   1.635% *  0.0249% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD1   LEU  123  13.38 +/- 2.26   0.393% *  0.0748% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  17.56 +/- 3.67   0.194% *  0.1274% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  17.08 +/- 3.52   0.209% *  0.0584% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  16.68 +/- 3.79   0.264% *  0.0395% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  22.90 +/- 3.05   0.095% *  0.0804% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  23.78 +/- 2.22   0.066% *  0.0919% (0.65   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 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 = 5.02, residual support = 203.9:
    * O T QD2   LEU  123 - QD1   LEU  123   2.06 +/- 0.05  96.447% * 99.7540% (1.00  10.0 10.00   5.02 203.91) =  99.997%  kept
        T HB3   LEU  104 - QD1   LEU  123  13.39 +/- 4.72   0.776% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD1   LEU  123   7.27 +/- 0.86   2.776% *  0.0486% (0.49   1.0  1.00   0.02   2.86) =   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 = 4.92, residual support = 203.9:
    *   T HA    LEU  123 - QD2   LEU  123   3.06 +/- 0.47  80.851% * 99.5102% (1.00 10.00   4.93 203.91) =  99.986%  kept
          HA    ILE   56 - QD2   LEU  123  10.72 +/- 2.99   4.338% *  0.0975% (0.98  1.00   0.02   0.02) =   0.005%
          HA    ASP- 113 - QD2   LEU  123  10.17 +/- 2.30   5.215% *  0.0524% (0.53  1.00   0.02   0.02) =   0.003%
          HA    PRO   58 - QD2   LEU  123  10.30 +/- 2.45   4.755% *  0.0373% (0.38  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - QD2   LEU  123  17.66 +/- 4.57   0.923% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD2   LEU  123  16.80 +/- 4.83   1.223% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD2   LEU  123  21.35 +/- 5.64   0.495% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - QD2   LEU  123  21.05 +/- 7.11   1.162% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  18.84 +/- 5.35   1.038% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 203.9:
    * O T HB2   LEU  123 - QD2   LEU  123   2.86 +/- 0.26  84.759% * 99.0560% (1.00  10.0 10.00   5.03 203.91) =  99.973%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.36 +/- 0.85   5.369% *  0.3057% (0.31   1.0 10.00   0.02   2.86) =   0.020%
          HG3   PRO   93 - QD2   LEU  123  16.68 +/- 4.21   1.614% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD2   LEU  123  14.67 +/- 4.73   1.891% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU  123  12.52 +/- 2.66   2.106% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD2   LEU  123  18.30 +/- 3.67   0.794% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  15.47 +/- 2.11   0.655% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU  123  18.80 +/- 5.53   0.886% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU  123  19.11 +/- 4.09   0.467% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD2   LEU  123  18.26 +/- 3.49   0.556% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.11 +/- 2.09   0.717% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.05 +/- 2.70   0.186% *  0.0407% (0.41   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 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.61, residual support = 203.9:
    * O T HB3   LEU  123 - QD2   LEU  123   2.28 +/- 0.39  93.706% * 99.6484% (1.00  10.0 10.00   4.61 203.91) =  99.994%  kept
          QB    ALA   57 - QD2   LEU  123  10.29 +/- 2.45   3.564% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  33 - QD2   LEU  123  18.91 +/- 5.79   1.454% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - QD2   LEU  123  15.86 +/- 2.00   0.382% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.51 +/- 3.20   0.394% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  15.69 +/- 4.12   0.500% *  0.0197% (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 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.6, residual support = 203.5:
    * O T HG    LEU  123 - QD2   LEU  123   2.11 +/- 0.02  78.636% * 97.8930% (0.69  10.0 10.00   4.61 203.91) =  99.820%  kept
          HG3   PRO   68 - QD2   LEU  123  14.71 +/- 5.32  14.204% *  0.9175% (0.92   1.0  1.00   0.14   0.02) =   0.169%  kept
        T HB    ILE   56 - QD2   LEU  123  10.29 +/- 2.84   1.364% *  0.2496% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PRO   52 - QD2   LEU  123  15.56 +/- 3.98   1.398% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - QD2   LEU  123  19.67 +/- 5.59   1.214% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD2   LEU  123  12.80 +/- 3.73   0.713% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD2   LEU  123  15.18 +/- 3.68   0.366% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU  123  11.37 +/- 3.47   1.121% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  14.22 +/- 1.87   0.299% *  0.0750% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.56 +/- 3.36   0.154% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  18.11 +/- 3.27   0.160% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  17.83 +/- 3.93   0.210% *  0.0396% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  23.61 +/- 3.60   0.087% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  24.42 +/- 3.22   0.072% *  0.0922% (0.65   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 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 203.9:
    * O T QD1   LEU  123 - QD2   LEU  123   2.06 +/- 0.05  88.951% * 99.6081% (1.00  10.0 10.00   5.02 203.91) =  99.989%  kept
          QG1   VAL   70 - QD2   LEU  123  11.65 +/- 3.84   7.096% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - QD2   LEU  123  14.19 +/- 4.59   1.101% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU  123  12.91 +/- 3.53   1.045% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU  123  14.44 +/- 4.48   0.557% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  123  11.07 +/- 2.90   1.251% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1611 (0.82, 0.82, 23.66 ppm):
    1 diagonal assignment:
    *     QD2   LEU  123 - QD2   LEU  123  (1.00)  kept
 
    Peak 1612 (4.11, 4.11, 54.16 ppm):
    2 diagonal assignments:
    *     HA    ALA  124 - HA    ALA  124  (1.00)  kept
          HA    ALA   34 - HA    ALA   34  (0.04)  kept
 
    Peak 1614 (1.35, 4.11, 54.16 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.16:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  84.463% * 97.4620% (1.00  10.0 10.00   1.00   9.16) =  99.993%  kept
        T HB2   LEU   31 - HA    ALA  124  26.63 +/- 8.83   0.314% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   31 - HA    ALA   34   7.42 +/- 0.35   2.052% *  0.0730% (0.07   1.0 10.00   0.02  11.55) =   0.002%
        T QB    ALA  124 - HA    ALA   34  21.25 +/- 6.71   0.376% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ALA  124  26.92 +/- 2.41   0.047% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    ALA  124  17.46 +/- 3.14   0.220% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.94 +/- 3.07   4.845% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  19.51 +/- 2.51   0.125% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  21.45 +/- 8.28   0.425% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  23.19 +/- 6.14   0.109% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  11.17 +/- 2.17   0.793% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.59 +/- 0.93   3.292% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  22.05 +/- 2.32   0.087% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.18 +/- 2.66   0.080% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  26.09 +/- 9.17   0.226% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.33 +/- 2.21   0.082% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  20.77 +/- 4.18   0.126% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  19.10 +/- 2.82   0.161% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.14 +/- 1.86   0.229% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  31.56 +/- 3.46   0.030% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  25.31 +/- 7.71   0.116% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.72 +/- 1.43   0.190% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  13.16 +/- 3.28   0.714% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  20.18 +/- 5.37   0.145% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  25.00 +/- 4.31   0.073% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.40 +/- 1.88   0.079% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  15.14 +/- 3.36   0.348% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.33 +/- 1.36   0.166% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.46 +/- 2.61   0.039% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  26.35 +/- 2.03   0.048% *  0.0028% (0.03   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 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.16:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  98.021% * 98.8388% (1.00  10.0 10.00   1.00   9.16) =  99.995%  kept
        T HA    ASN   28 - QB    ALA  124  23.76 +/- 7.71   0.431% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ALA   34 - QB    ALA  124  21.25 +/- 6.71   0.437% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HA    ARG+  54 - QB    ALA  124  18.95 +/- 3.55   0.279% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.08 +/- 0.70   0.350% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  24.57 +/- 7.71   0.244% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.60 +/- 3.26   0.049% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  22.60 +/- 6.37   0.189% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 203.9:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  99.093% * 97.4949% (1.00  10.0 10.00   5.55 203.91) =  99.996%  kept
        T QD    LYS+  33 - HB2   LEU  123  22.77 +/- 6.82   0.229% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HB2   LEU  123  18.94 +/- 1.83   0.087% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HB2   LEU  123  21.85 +/- 3.69   0.066% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  13.28 +/- 2.48   0.378% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  19.98 +/- 4.54   0.148% *  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 = 5.55, residual support = 203.9:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  97.973% * 96.4170% (0.99  10.0 10.00   5.55 203.91) =  99.996%  kept
        T QD    LYS+  38 - HB3   LEU  123  22.92 +/- 7.01   0.152% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB3   LEU  123  16.34 +/- 3.15   0.190% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  23.05 +/- 5.28   0.075% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU  123  19.45 +/- 2.10   0.085% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LEU  123   8.52 +/- 0.25   0.859% *  0.0365% (0.38   1.0  1.00   0.02   2.86) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  21.55 +/- 4.27   0.132% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  28.84 +/- 3.12   0.025% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  17.84 +/- 6.03   0.262% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  23.32 +/- 3.60   0.079% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  18.61 +/- 2.81   0.103% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  23.15 +/- 4.51   0.065% *  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 = 5.65, residual support = 203.9:
    * O T QD1   LEU  123 - HB3   LEU  123   2.84 +/- 0.34  89.160% * 99.6081% (1.00  10.0 10.00   5.65 203.91) =  99.990%  kept
          QG1   VAL   70 - HB3   LEU  123  14.83 +/- 4.91   5.622% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   18 - HB3   LEU  123  16.27 +/- 5.03   1.927% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB3   LEU  123  17.65 +/- 5.96   1.279% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  17.47 +/- 5.68   0.822% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  14.67 +/- 3.76   1.189% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.61, residual support = 203.9:
    * O T QD2   LEU  123 - HB3   LEU  123   2.28 +/- 0.39  97.632% * 99.9316% (1.00  10.0 10.00   4.61 203.91) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.84 +/- 0.78   1.706% *  0.0486% (0.49   1.0  1.00   0.02   2.86) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  17.47 +/- 5.68   0.663% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 5.09, residual support = 202.4:
    * O T HG    LEU  123 - HB3   LEU  123   2.76 +/- 0.19  81.752% * 91.8667% (0.69  10.0 10.00   5.13 203.91) =  99.246%  kept
        T HG3   PRO   68 - HB3   LEU  123  18.64 +/- 6.84  10.390% *  5.3097% (0.92   1.0 10.00   0.09   0.02) =   0.729%  kept
        T QB    LYS+  33 - HB3   LEU  123  24.11 +/- 7.03   1.097% *  0.9711% (0.73   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   ARG+  54 - HB3   LEU  123  19.91 +/- 4.25   0.384% *  1.1601% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   52 - HB3   LEU  123  20.20 +/- 4.58   1.938% *  0.0919% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB3   LEU  123  15.82 +/- 4.66   0.738% *  0.1117% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   LEU  123  14.77 +/- 4.58   1.472% *  0.0206% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  17.58 +/- 2.30   0.368% *  0.0704% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  22.66 +/- 4.36   0.202% *  0.1199% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  14.04 +/- 2.95   0.946% *  0.0234% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  22.29 +/- 4.29   0.222% *  0.0550% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  22.12 +/- 5.14   0.323% *  0.0372% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  29.42 +/- 4.00   0.095% *  0.0757% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  30.63 +/- 3.11   0.074% *  0.0865% (0.65   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 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 203.9:
    * O T HA    LEU  123 - HB3   LEU  123   2.45 +/- 0.11  95.833% * 99.5102% (1.00  10.0 10.00   5.55 203.91) =  99.997%  kept
          HA    ILE   56 - HB3   LEU  123  14.53 +/- 2.96   0.668% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB3   LEU  123  13.26 +/- 2.34   0.917% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU  123  14.02 +/- 2.31   0.720% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  21.63 +/- 5.98   0.309% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  20.75 +/- 6.29   0.456% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  26.15 +/- 7.07   0.195% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  23.27 +/- 6.95   0.458% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  25.98 +/- 8.86   0.443% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.974, support = 5.65, residual support = 313.8:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  85.306% * 76.1572% (1.00  10.0   5.59 313.78) =  96.222%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.73 +/- 0.48  10.848% * 23.5057% (0.31  10.0   7.04 313.78) =   3.777%  kept
          HG    LEU  104 - HD3   LYS+ 121  13.31 +/- 7.68   1.335% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  15.98 +/- 4.95   0.444% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  15.70 +/- 6.07   1.349% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  20.29 +/- 5.54   0.218% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.85 +/- 3.00   0.169% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.34 +/- 4.46   0.101% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  16.40 +/- 3.12   0.158% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  20.75 +/- 3.88   0.073% *  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 = 313.8:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.51 +/- 0.30  91.493% * 99.7211% (1.00  10.0   6.28 313.78) =  99.994%  kept
          QG2   VAL  107 - HD3   LYS+ 121  10.26 +/- 2.94   3.300% *  0.0921% (0.92   1.0   0.02   0.02) =   0.003%
          QB    ALA   20 - HD3   LYS+ 121  18.84 +/- 4.92   1.080% *  0.0799% (0.80   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HD3   LYS+ 121   9.55 +/- 1.08   2.123% *  0.0308% (0.31   1.0   0.02   8.24) =   0.001%
          HG13  ILE  103 - HD3   LYS+ 121  16.08 +/- 6.72   0.942% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LEU   31 - HD3   LYS+ 121  21.19 +/- 6.85   1.063% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 313.7:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.66 +/- 0.30  93.143% * 98.9917% (1.00  10.0 10.00   5.98 313.78) =  99.984%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.39 +/- 1.17   1.271% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T QD2   LEU   73 - HD3   LYS+ 121  15.42 +/- 4.50   1.717% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  123 - HD3   LYS+ 121   8.86 +/- 1.10   2.917% *  0.0482% (0.49   1.0  1.00   0.02   2.86) =   0.002%
          HG    LEU   31 - HD3   LYS+ 121  21.27 +/- 6.79   0.952% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.12, residual support = 313.7:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.45 +/- 0.26  78.672% * 99.2313% (1.00  10.0  1.00   7.12 313.78) =  99.984%  kept
          QD    LYS+ 102 - HD3   LYS+ 121  17.19 +/- 7.52   7.538% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - HD3   LYS+ 121  16.39 +/- 3.06   2.729% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HD3   LYS+ 121  18.61 +/- 3.15   0.727% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU  123 - HD3   LYS+ 121   8.96 +/- 1.05   5.856% *  0.0306% (0.31   1.0  1.00   0.02   2.86) =   0.002%
          QD    LYS+  38 - HD3   LYS+ 121  19.98 +/- 5.92   0.931% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD3   LYS+ 121  14.21 +/- 2.59   2.161% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD3   LYS+ 121  20.26 +/- 3.87   0.569% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  24.45 +/- 3.77   0.312% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  19.43 +/- 2.03   0.505% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.76, residual support = 311.2:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.43 +/- 0.15  92.834% * 83.9152% (1.00  10.0   5.77 313.78) =  98.999%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.22 +/- 1.19   4.922% * 15.9766% (0.84   1.0   4.56  54.49) =   0.999%  kept
          HG2   GLN   30 - HD3   LYS+ 121  21.90 +/- 6.65   0.983% *  0.0576% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   ASN   28 - HD3   LYS+ 121  25.59 +/- 7.88   1.166% *  0.0376% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HD3   LYS+ 121  25.86 +/- 3.01   0.096% *  0.0129% (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 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 6.6, residual support = 307.3:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.15 +/- 0.71  62.580% * 88.0954% (1.00 10.00   6.68 313.78) =  97.903%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.76 +/- 0.83  10.372% * 11.1756% (0.76  1.00   3.32   2.71) =   2.059%  kept
          QB    SER  117 - HD3   LYS+ 121   8.17 +/- 2.12  16.934% *  0.0736% (0.84  1.00   0.02   0.02) =   0.022%
        T HA    LYS+  65 - HD3   LYS+ 121  17.78 +/- 2.88   1.741% *  0.3005% (0.34 10.00   0.02   0.02) =   0.009%
          HB    THR   94 - HD3   LYS+ 121  17.53 +/- 2.90   1.221% *  0.0873% (0.99  1.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD3   LYS+ 121  13.85 +/- 2.10   3.925% *  0.0245% (0.28  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HD3   LYS+ 121  22.12 +/- 6.35   1.690% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD3   LYS+ 121  23.01 +/- 4.10   0.571% *  0.0873% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+ 121  22.08 +/- 3.07   0.559% *  0.0833% (0.95  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD3   LYS+ 121  25.26 +/- 3.65   0.407% *  0.0362% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.69, residual support = 313.7:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.74 +/- 0.22  87.388% * 99.7211% (0.84  10.0 10.00   7.70 313.78) =  99.991%  kept
          QG2   VAL  107 - HB3   LYS+ 121   9.52 +/- 2.11   3.335% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - HB3   LYS+ 121  17.98 +/- 5.14   3.132% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HB3   LYS+ 121   8.04 +/- 0.65   3.978% *  0.0308% (0.26   1.0  1.00   0.02   8.24) =   0.001%
          HG13  ILE  103 - HB3   LYS+ 121  15.79 +/- 5.62   0.879% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.70 +/- 6.37   1.289% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.03, residual support = 313.7:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.51 +/- 0.26  91.100% * 99.5295% (0.84  10.0 10.00   7.03 313.78) =  99.990%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  15.16 +/- 3.86   1.578% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  123 - HB3   LYS+ 121   7.73 +/- 0.86   4.208% *  0.0484% (0.41   1.0  1.00   0.02   2.86) =   0.002%
          QD1   ILE   56 - HB3   LYS+ 121  11.54 +/- 1.67   1.881% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  20.65 +/- 6.47   1.233% *  0.0222% (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 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.76, residual support = 313.7:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  96.768% * 97.1314% (0.84  10.0 10.00   8.77 313.78) =  99.990%  kept
        T QD    LYS+  65 - HB3   LYS+ 121  15.72 +/- 2.81   0.492% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - HB3   LYS+ 121  17.17 +/- 6.37   0.429% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HB3   LYS+ 121  19.80 +/- 5.92   0.166% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HB3   LYS+ 121   7.39 +/- 0.64   1.360% *  0.0300% (0.26   1.0  1.00   0.02   2.86) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  17.75 +/- 1.67   0.102% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  13.70 +/- 2.87   0.452% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.89 +/- 2.94   0.083% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  23.94 +/- 3.15   0.045% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  18.61 +/- 2.17   0.104% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1670 (2.75, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.811, support = 6.73, residual support = 268.1:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.80 +/- 0.49  70.345% * 59.1863% (0.84  1.00   6.98 313.78) =  82.406%  kept
          HB3   HIS  122 - HB3   LYS+ 121   6.12 +/- 0.79  22.333% * 39.5473% (0.70  1.00   5.59  54.49) =  17.481%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  21.15 +/- 6.72   4.715% *  1.1642% (0.57 10.00   0.02   0.02) =   0.109%  kept
          HB3   ASN   28 - HB3   LYS+ 121  24.82 +/- 7.78   2.311% *  0.0760% (0.37  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HB3   LYS+ 121  25.30 +/- 2.71   0.296% *  0.0262% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 308.8:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.59 +/- 0.20  84.293% * 84.2024% (0.84  10.0 10.00   8.22 313.78) =  98.410%  kept
          HA    ALA  120 - HB3   LYS+ 121   5.98 +/- 0.33   7.552% * 15.1008% (0.64   1.0  1.00   4.69   2.71) =   1.581%  kept
          QB    SER  117 - HB3   LYS+ 121   7.06 +/- 0.81   5.107% *  0.0703% (0.70   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HB3   LYS+ 121  17.15 +/- 2.30   0.446% *  0.2872% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HB3   LYS+ 121  22.48 +/- 4.19   0.704% *  0.0835% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   LYS+ 121  16.85 +/- 2.19   0.381% *  0.0835% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.97 +/- 1.74   0.893% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  21.65 +/- 3.35   0.222% *  0.0797% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  21.51 +/- 6.14   0.283% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  24.87 +/- 3.15   0.120% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.785, support = 8.62, residual support = 313.8:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  66.688% * 55.3563% (0.84  10.0 10.00   8.77 313.78) =  73.270%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.47 +/- 0.58  31.402% * 42.8727% (0.65  10.0 10.00   8.21 313.78) =  26.721%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  14.56 +/- 4.58   0.444% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU  104 - HB2   LYS+ 121  13.13 +/- 6.83   0.753% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.31 +/- 2.09   0.108% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.69 +/- 3.07   0.057% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.37 +/- 3.56   0.073% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.26 +/- 5.51   0.349% *  0.0323% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.25 +/- 1.82   0.124% *  0.0481% (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 1674 (1.52, 3.94, 58.66 ppm):
    18 chemical-shift based assignments, quality = 0.768, support = 8.01, residual support = 309.8:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.59 +/- 0.20  42.083% * 52.0655% (0.84  10.0 10.00   8.22 313.78) =  71.390%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.68 +/- 0.68  20.073% * 40.3240% (0.65   1.0 10.00   7.69 313.78) =  26.373%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.30 +/- 0.72  25.937% *  2.2150% (0.04  10.0 10.00   5.40 158.79) =   1.872%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.57 +/- 0.63   2.810% *  3.7757% (0.06   1.0 10.00   5.45  29.88) =   0.346%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.92 +/- 4.89   0.558% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.011%
        T HD3   LYS+  74 - HA    LYS+  65  10.00 +/- 4.27   3.731% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  65 - HA    LYS+ 121  18.15 +/- 2.10   0.152% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    LYS+ 121  14.69 +/- 7.06   0.689% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  22.00 +/- 3.13   0.083% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  20.64 +/- 6.30   0.519% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+ 121  16.56 +/- 1.55   0.176% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.15 +/- 2.30   0.193% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.04 +/- 2.55   0.179% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   9.67 +/- 3.30   1.888% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.74 +/- 3.53   0.099% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.83 +/- 3.44   0.498% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.49 +/- 2.88   0.177% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.58 +/- 3.04   0.153% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.979, support = 6.64, residual support = 310.4:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.15 +/- 0.71  21.540% * 97.6597% (1.00   1.0 10.00   6.68 313.78) =  97.846%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.21 +/- 0.61  37.702% *  1.2130% (0.01  10.0 10.00   5.27 158.79) =   2.127%  kept
        T HG3   LYS+  33 - HA    LYS+ 121  23.30 +/- 7.11   0.556% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          HG12  ILE   19 - HA    LYS+ 121  20.61 +/- 6.18   1.200% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - HA    LYS+ 121  15.94 +/- 5.11   0.735% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HA    LYS+ 121  18.20 +/- 2.13   0.246% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LYS+ 121  23.15 +/- 7.44   0.562% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  110 - HA    LYS+ 121  15.08 +/- 2.41   0.629% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    LYS+  65   9.69 +/- 3.35   4.827% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   5.91 +/- 1.47  12.926% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+ 121  21.60 +/- 3.77   0.215% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 121  14.09 +/- 1.68   0.674% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  17.78 +/- 2.88   0.311% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  15.97 +/- 4.50   0.738% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+  65   6.09 +/- 0.92   6.947% *  0.0012% (0.01   1.0  1.00   0.02   0.39) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  18.53 +/- 4.93   0.414% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  26.69 +/- 2.95   0.083% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  13.96 +/- 5.47   1.412% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.24 +/- 3.25   0.326% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.85 +/- 4.46   0.305% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  16.19 +/- 4.66   1.071% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.26 +/- 3.18   0.078% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  17.89 +/- 4.03   0.602% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  14.52 +/- 2.30   0.624% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  10.38 +/- 2.67   2.994% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.31 +/- 1.60   1.389% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  17.95 +/- 3.88   0.500% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.18 +/- 2.73   0.395% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.2, residual support = 222.4:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  89.623% * 92.4860% (1.00  10.0 10.00   6.20 223.00) =  99.714%  kept
          QB    GLU- 114 - HB3   LEU  115   5.38 +/- 0.58   3.685% *  6.3034% (0.31   1.0  1.00   4.42  20.96) =   0.279%  kept
          HG3   PRO   58 - HB3   LEU  115   9.37 +/- 2.12   2.393% *  0.0923% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   67 - HB3   LEU   40   9.15 +/- 2.49   1.458% *  0.0869% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   67 - HB3   LEU  115  15.40 +/- 2.19   0.158% *  0.7406% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HB3   LEU   40  17.83 +/- 2.27   0.101% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.23 +/- 2.04   0.420% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  16.50 +/- 3.03   0.193% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.14 +/- 4.24   0.121% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  10.78 +/- 2.36   1.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  19.16 +/- 2.85   0.095% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  15.06 +/- 4.37   0.282% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  14.31 +/- 2.70   0.227% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.06 +/- 2.85   0.077% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  18.02 +/- 2.89   0.118% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  23.57 +/- 3.25   0.047% *  0.0030% (0.03   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 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 7.18, residual support = 238.2:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  96.938% * 98.3538% (1.00  10.0 10.00   7.18 238.19) =  99.997%  kept
        T HB    VAL   42 - HB3   LYS+ 112  17.49 +/- 2.37   0.115% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HB3   LYS+ 112   9.58 +/- 3.15   1.525% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HB3   LYS+ 112  18.95 +/- 4.54   0.205% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.04 +/- 2.94   0.185% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.27 +/- 2.02   0.154% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  13.30 +/- 2.76   0.383% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  17.43 +/- 2.46   0.122% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.25 +/- 2.14   0.128% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.55 +/- 2.18   0.030% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  18.73 +/- 1.79   0.086% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  27.81 +/- 2.46   0.026% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.35 +/- 2.57   0.063% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  25.65 +/- 4.61   0.039% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.91, support = 4.53, residual support = 237.9:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  78.329% * 54.1505% (0.95  10.0   4.33 238.19) =  84.231%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.05 +/- 0.47  19.027% * 41.3834% (0.72  10.0   5.64 238.19) =  15.637%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   7.69 +/- 1.55   1.523% *  4.3524% (0.36   1.0   4.28  28.47) =   0.132%  kept
          QG2   THR   94 - HD3   LYS+ 112  10.11 +/- 2.18   0.917% *  0.0434% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   LEU   71 - HD3   LYS+ 112  21.25 +/- 3.98   0.083% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  17.23 +/- 3.27   0.121% *  0.0167% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 6.79, residual support = 312.4:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  76.573% * 96.7342% (1.00  10.0   6.84 315.03) =  99.173%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.95 +/- 1.34  22.861% *  2.6995% (0.57   1.0   0.99   0.24) =   0.826%  kept
          HB    ILE  119 - HB3   LYS+ 111  11.83 +/- 1.00   0.263% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.40 +/- 3.65   0.045% *  0.0839% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  26.18 +/- 3.76   0.030% *  0.0959% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  26.90 +/- 3.53   0.025% *  0.0959% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.20 +/- 4.17   0.060% *  0.0398% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.01 +/- 4.89   0.025% *  0.0868% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  24.25 +/- 3.24   0.033% *  0.0471% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  25.14 +/- 3.29   0.030% *  0.0471% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.73 +/- 3.09   0.031% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  27.45 +/- 2.90   0.022% *  0.0269% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 60.1:
    * O T QG1   VAL  107 - HA    VAL  107   2.26 +/- 0.30  94.460% * 99.5482% (1.00  10.0 10.00   4.60  60.10) =  99.996%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.03 +/- 1.56   2.298% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   VAL   24 - HA    VAL  107  18.05 +/- 2.77   0.425% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    VAL  107  18.64 +/- 3.70   0.726% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  11.33 +/- 2.27   1.014% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  13.24 +/- 2.60   0.897% *  0.0154% (0.15   1.0  1.00   0.02   0.24) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.60 +/- 1.87   0.180% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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   2.63 +/- 0.30  93.931% * 99.7501% (1.00  10.0 10.00   3.62  60.10) =  99.996%  kept
          HG2   LYS+ 121 - HA    VAL  107  12.51 +/- 4.37   1.878% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HA    VAL  107  10.68 +/- 1.08   1.648% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  11.33 +/- 2.27   1.878% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  17.62 +/- 2.96   0.398% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.60 +/- 1.87   0.266% *  0.0135% (0.14   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 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.992, support = 3.23, residual support = 40.1:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.93 +/- 0.12  59.255% * 83.8876% (1.00  10.0 10.00   3.17  41.18) =  94.314%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.32 +/- 0.30  19.299% * 15.4781% (0.87   1.0  1.00   4.25  21.95) =   5.668%  kept
          HB    ILE  103 - HA    ASP- 105   6.32 +/- 0.56   6.401% *  0.0831% (0.99   1.0  1.00   0.02   3.24) =   0.010%
          HB3   PRO   52 - HA    ASP- 105  20.44 +/- 4.85   6.445% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    ASP- 105  22.29 +/- 4.39   0.824% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.12 +/- 0.62   4.574% *  0.0129% (0.15   1.0  1.00   0.02   3.24) =   0.001%
          HG3   PRO   68 - HA    ASP- 105  18.01 +/- 3.88   0.412% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ASP- 105  18.54 +/- 2.58   0.363% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    ASP- 105  16.27 +/- 2.85   0.611% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  16.14 +/- 4.03   0.577% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  21.58 +/- 2.22   0.190% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  21.51 +/- 1.58   0.157% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  17.53 +/- 3.46   0.632% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  18.72 +/- 2.08   0.260% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.22, residual support = 41.2:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  97.028% * 99.5527% (0.95  10.0 10.00   3.22  41.18) =  99.999%  kept
          HB2   MET   96 - HB3   ASP- 105   8.34 +/- 0.96   1.072% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   ASP- 105  13.24 +/- 1.34   0.260% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  10.60 +/- 3.77   0.837% *  0.0184% (0.18   1.0  1.00   0.02   0.12) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  12.40 +/- 1.95   0.372% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  20.26 +/- 1.98   0.071% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.58 +/- 1.75   0.107% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  21.31 +/- 4.09   0.122% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.45 +/- 3.79   0.131% *  0.0184% (0.18   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 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 5.03, residual support = 142.3:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  48.249% * 66.9933% (1.00  10.0  1.00   4.88 135.46) =  67.311%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  48.249% * 32.5339% (0.49  10.0  1.00   5.34 156.43) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  14.25 +/- 2.76   0.130% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  10.93 +/- 4.09   2.416% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  18.42 +/- 2.48   0.051% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.68 +/- 1.43   0.192% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  19.33 +/- 2.58   0.045% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  19.67 +/- 2.44   0.039% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.72 +/- 5.11   0.165% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  22.14 +/- 5.08   0.036% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  19.45 +/- 3.25   0.051% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.31 +/- 3.36   0.063% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  20.68 +/- 4.01   0.045% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  17.83 +/- 2.15   0.054% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  24.82 +/- 3.49   0.022% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.32 +/- 2.64   0.051% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.15 +/- 3.73   0.030% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.40 +/- 3.24   0.077% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.12 +/- 2.99   0.013% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.35 +/- 2.40   0.022% *  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 = 138.3:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  94.333% * 81.2372% (0.80  10.0 10.00   4.30 138.98) =  99.421%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.18 +/- 0.65   2.430% * 18.2485% (0.73   1.0  1.00   4.95  23.56) =   0.575%  kept
          HG2   PRO   93 - HG13  ILE  103  16.57 +/- 2.91   1.318% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HG13  ILE  103   8.59 +/- 1.74   1.228% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG13  ILE  103  17.03 +/- 2.84   0.148% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  14.68 +/- 2.45   0.217% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  17.19 +/- 2.62   0.141% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  22.10 +/- 4.06   0.116% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  21.01 +/- 3.62   0.070% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.65, residual support = 186.6:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  92.354% * 99.4757% (0.80  10.0   5.65 186.64) =  99.996%  kept
          HG    LEU   67 - HB3   LYS+  74   9.83 +/- 4.06   2.921% *  0.0310% (0.25   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HB3   LYS+  74  10.38 +/- 4.24   1.073% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HB3   LYS+  74  14.28 +/- 3.13   0.462% *  0.1114% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HB3   LYS+  74  15.67 +/- 3.91   0.458% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  11.14 +/- 3.33   0.675% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  12.40 +/- 3.15   1.460% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.50 +/- 3.16   0.109% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  15.16 +/- 3.77   0.367% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  19.62 +/- 4.22   0.122% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.16, residual support = 216.5:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  98.955% * 99.3078% (1.00  10.0 10.00   5.16 216.48) =  99.999%  kept
        T HG3   LYS+  99 - HG13  ILE   89  21.19 +/- 3.03   0.066% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  16.24 +/- 2.92   0.169% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  13.16 +/- 2.11   0.324% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  19.86 +/- 3.85   0.111% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  17.24 +/- 3.82   0.166% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  19.30 +/- 3.39   0.114% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  22.02 +/- 5.42   0.095% *  0.0248% (0.25   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 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.2:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.02  94.562% * 99.6237% (1.00  10.0 10.00   2.81  24.16) =  99.997%  kept
          HA1   GLY   51 - QB    ALA   57   9.31 +/- 1.93   1.700% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER  117 - QB    ALA   57  12.25 +/- 1.57   0.610% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57  11.26 +/- 2.56   1.250% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  17.78 +/- 3.97   0.259% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  17.93 +/- 2.80   0.528% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  14.56 +/- 3.42   0.630% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  18.77 +/- 2.24   0.161% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  20.37 +/- 3.73   0.161% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  22.72 +/- 5.25   0.139% *  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 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.737% * 97.5263% (1.00  10.0 10.00   2.81  10.20) =  99.998%  kept
          HA    ALA   57 - HA2   GLY   51  11.10 +/- 1.32   0.434% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  25.70 +/- 3.30   0.055% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  22.18 +/- 3.00   0.060% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  28.66 +/- 3.10   0.026% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  19.69 +/- 4.99   0.262% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  19.84 +/- 2.10   0.081% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  15.96 +/- 2.87   0.173% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  16.13 +/- 1.66   0.138% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  32.63 +/- 7.12   0.034% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 62.8:
    * O T QG2   VAL   24 - QG1   VAL   24   2.04 +/- 0.07  94.857% * 99.5951% (1.00  10.0 10.00   2.70  62.85) =  99.994%  kept
          HG    LEU   63 - QG1   VAL   24  15.00 +/- 5.24   4.364% *  0.0961% (0.97   1.0  1.00   0.02   1.19) =   0.004%
        T QG1   VAL  107 - QG1   VAL   24  15.53 +/- 3.04   0.456% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL   24  19.90 +/- 4.49   0.322% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 159.8:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  96.754% * 99.4743% (1.00  10.0 10.00   6.60 159.82) =  99.998%  kept
          HB3   ASN   28 - HG3   GLN   30   8.67 +/- 0.91   0.956% *  0.0918% (0.92   1.0  1.00   0.02  17.73) =   0.001%
          QE    LYS+ 121 - HG3   GLN   30  19.11 +/- 5.63   0.854% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HG3   GLN   30  19.77 +/- 6.45   0.661% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.18 +/- 3.47   0.036% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  20.39 +/- 2.98   0.075% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  15.05 +/- 2.63   0.210% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  17.32 +/- 1.17   0.105% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.79 +/- 2.02   0.127% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.88 +/- 3.51   0.026% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  17.79 +/- 3.09   0.143% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.70 +/- 2.53   0.052% *  0.0072% (0.07   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 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 = 155.6:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.71 +/- 0.53  70.092% * 96.2565% (1.00  10.0   4.68 156.43) =  99.494%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.41 +/- 1.41  11.671% *  2.8802% (0.31   1.0   1.93   0.48) =   0.496%  kept
          HB2   ASN   28 - HG2   LYS+  33   9.54 +/- 1.04   2.155% *  0.0944% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HG2   LYS+  33   8.33 +/- 0.64   3.076% *  0.0328% (0.34   1.0   0.02   4.82) =   0.001%
          HB2   ASP-  86 - QG    LYS+  81   8.84 +/- 0.64   2.555% *  0.0317% (0.33   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG2   LYS+ 106  14.03 +/- 3.99   0.985% *  0.0401% (0.42   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.18 +/- 0.94   3.352% *  0.0103% (0.11   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+  33  17.71 +/- 3.39   0.398% *  0.0863% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - QG    LYS+  81  18.47 +/- 7.38   0.759% *  0.0452% (0.47   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - QG    LYS+  81  19.12 +/- 4.48   0.602% *  0.0413% (0.43   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  19.17 +/- 2.44   0.299% *  0.0584% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  21.08 +/- 5.61   0.255% *  0.0661% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  14.33 +/- 3.45   1.110% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  19.01 +/- 3.13   0.303% *  0.0524% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.82 +/- 3.47   0.260% *  0.0572% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  21.23 +/- 4.57   0.228% *  0.0461% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  19.99 +/- 2.12   0.276% *  0.0378% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.68 +/- 3.35   0.155% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.67 +/- 4.30   0.376% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  20.24 +/- 2.88   0.222% *  0.0199% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  18.33 +/- 2.39   0.335% *  0.0130% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  19.40 +/- 3.02   0.262% *  0.0090% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  24.33 +/- 4.29   0.139% *  0.0157% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  23.67 +/- 2.87   0.133% *  0.0071% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 156.4:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.24 +/- 0.09  97.564% * 98.2551% (1.00  10.0 10.00   5.64 156.43) =  99.996%  kept
        T QG    LYS+  81 - QB    LYS+  33  20.52 +/- 4.63   0.184% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 106 - QB    LYS+  33  18.77 +/- 1.95   0.188% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QB    LYS+  33  14.50 +/- 3.12   1.221% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.95 +/- 6.04   0.540% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  17.47 +/- 2.16   0.238% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.55 +/- 2.78   0.066% *  0.0478% (0.49   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 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.978, support = 4.81, residual support = 216.5:
    *     QE    LYS+  38 - HA    LYS+  38   3.80 +/- 0.75  40.086% * 93.8513% (1.00  1.00   4.84 220.97) =  97.564%  kept
          QE    LYS+  99 - HA    GLU- 100   5.38 +/- 0.99  19.813% *  4.3991% (0.05  1.00   4.18  39.72) =   2.260%  kept
          QE    LYS+  99 - HA    LYS+  38   6.72 +/- 1.54  13.496% *  0.3481% (0.90  1.00   0.02   0.02) =   0.122%  kept
        T HB3   TRP   27 - HA    LYS+  38  14.57 +/- 1.67   0.946% *  0.8643% (0.22 10.00   0.02   0.02) =   0.021%
          QE    LYS+ 102 - HA    LYS+  38  14.62 +/- 3.09   1.910% *  0.3584% (0.92  1.00   0.02   0.02) =   0.018%
          QE    LYS+  38 - HA    GLU- 100   8.53 +/- 3.53  15.997% *  0.0235% (0.06  1.00   0.02   0.02) =   0.010%
          QE    LYS+ 102 - HA    GLU- 100   8.92 +/- 0.85   4.413% *  0.0217% (0.06  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    LYS+  38  14.71 +/- 1.42   0.866% *  0.0768% (0.20  1.00   0.02   0.02) =   0.002%
        T HB3   TRP   27 - HA    GLU- 100  15.71 +/- 3.35   0.852% *  0.0522% (0.01 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    GLU- 100  11.80 +/- 0.57   1.621% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.898, support = 4.78, residual support = 157.5:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.73 +/- 0.44  43.926% * 53.9610% (1.00  10.0 10.00   4.35 158.79) =  54.897%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.70 +/- 0.56  46.470% * 41.7906% (0.77  10.0 10.00   5.32 156.43) =  44.977%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.27 +/- 0.56   3.008% *  1.5845% (0.52   1.0  1.00   1.12   4.82) =   0.110%  kept
        T QE    LYS+  33 - HG3   LYS+ 102  16.73 +/- 4.40   0.363% *  0.3938% (0.73   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - HG3   LYS+  65  16.96 +/- 3.43   0.288% *  0.4839% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HG3   LYS+  33  17.79 +/- 3.14   0.215% *  0.4660% (0.86   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.20 +/- 0.97   1.404% *  0.0450% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  18.48 +/- 2.96   0.260% *  0.2265% (0.42   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.84 +/- 2.40   0.094% *  0.4391% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  18.51 +/- 2.42   0.179% *  0.2031% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+ 102  15.23 +/- 4.27   0.729% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  18.17 +/- 5.22   0.349% *  0.0405% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.06 +/- 3.98   0.655% *  0.0209% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.21 +/- 3.61   0.252% *  0.0521% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  18.60 +/- 5.45   0.535% *  0.0203% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  21.79 +/- 4.23   0.177% *  0.0498% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  20.69 +/- 5.72   0.188% *  0.0430% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.14 +/- 4.72   0.173% *  0.0424% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  21.45 +/- 3.03   0.143% *  0.0327% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.34 +/- 3.25   0.131% *  0.0219% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.65 +/- 2.57   0.147% *  0.0137% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.58 +/- 3.25   0.089% *  0.0175% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.46 +/- 3.18   0.088% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  19.83 +/- 2.21   0.137% *  0.0085% (0.16   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 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 = 4.48, residual support = 92.3:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.29 +/- 0.04  86.360% * 99.1144% (1.00  10.0 10.00   4.48  92.35) =  99.994%  kept
          QG    GLU-  14 - HG3   GLU-  29  12.50 +/- 4.91   9.996% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T QG    GLN   90 - HG3   GLU-  29  24.08 +/- 5.22   0.119% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HG3   GLU-  29  13.22 +/- 4.70   1.969% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  15.83 +/- 2.68   0.370% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  25.35 +/- 5.67   0.173% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  19.77 +/- 6.12   0.298% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.47 +/- 4.13   0.311% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.72 +/- 4.39   0.111% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  23.46 +/- 4.10   0.136% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  19.71 +/- 2.36   0.157% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 92.3:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.585% * 99.6674% (1.00  10.0 10.00   4.18  92.35) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  21.61 +/- 7.67   0.115% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  22.97 +/- 4.21   0.083% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  22.48 +/- 3.50   0.057% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  25.36 +/- 3.85   0.043% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  20.66 +/- 3.04   0.071% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.27 +/- 2.60   0.046% *  0.0249% (0.25   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 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.7:
    * O T QG    GLN   17 - HB3   GLN   17   2.40 +/- 0.13  96.075% * 98.5118% (0.76  10.0 10.00   4.31  85.76) =  99.984%  kept
        T HB    VAL   70 - HB3   GLN   17  13.10 +/- 3.68   1.177% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.013%
          HB2   GLU-  25 - HB3   GLN   17  15.70 +/- 4.48   1.135% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLN   17  19.20 +/- 5.23   0.646% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   GLN   17  19.67 +/- 6.80   0.448% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  19.98 +/- 4.98   0.298% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.24 +/- 3.80   0.222% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 85.6:
    * O T HA    GLN   17 - HB3   GLN   17   2.70 +/- 0.24  71.550% * 98.6717% (1.00  10.0 10.00   4.00  85.76) =  99.845%  kept
          HA    GLU-  15 - HB3   GLN   17   5.53 +/- 0.67  10.740% *  0.9272% (0.57   1.0  1.00   0.33   0.02) =   0.141%  kept
          HA    SER   13 - HB3   GLN   17   7.86 +/- 2.47  14.579% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.012%
          HA    SER   37 - HB3   GLN   17  17.40 +/- 4.94   0.720% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  16.47 +/- 4.74   0.902% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   GLN   17  21.14 +/- 5.50   0.302% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  15.84 +/- 4.01   0.721% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  17.30 +/- 3.80   0.487% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 85.4:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  91.453% * 89.5090% (1.00  10.0 10.00   4.17  85.76) =  99.537%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.06 +/- 0.90   4.121% *  9.0294% (1.00   1.0 10.00   0.20   0.02) =   0.452%  kept
        T HB3   PRO   68 - HB3   GLN   17  14.79 +/- 5.24   0.723% *  0.7167% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   GLN   30 - HB3   GLN   17  12.48 +/- 3.52   0.659% *  0.3680% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HB3   GLN   17   7.78 +/- 0.85   1.195% *  0.0507% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HB3   GLN   17  16.09 +/- 4.82   0.409% *  0.0847% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  14.88 +/- 4.60   0.410% *  0.0436% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  12.92 +/- 3.30   0.539% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  20.35 +/- 4.60   0.266% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.57 +/- 3.65   0.066% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  26.92 +/- 4.08   0.037% *  0.0887% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  21.06 +/- 5.70   0.124% *  0.0199% (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 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 = 0.869, support = 3.28, residual support = 45.7:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.77 +/- 0.24  56.033% * 72.0932% (1.00  10.0 10.00   3.09  45.21) =  79.108%  kept
      O T HG3   MET   11 - HA    MET   11   3.25 +/- 0.62  39.809% * 26.7625% (0.37  10.0 10.00   4.00  47.76) =  20.864%  kept
        T HG3   MET   11 - HA    GLU-  14  10.27 +/- 1.43   1.467% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.020%
        T HB3   GLU-  14 - HA    MET   11  10.24 +/- 1.35   1.321% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.007%
          HB3   MET   96 - HA    GLU-  14  22.07 +/- 4.08   0.233% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.04 +/- 2.91   0.392% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  22.18 +/- 4.22   0.169% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.00 +/- 4.30   0.228% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  27.75 +/- 4.85   0.113% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  26.58 +/- 6.33   0.121% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.69 +/- 4.63   0.070% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  34.69 +/- 5.47   0.045% *  0.0044% (0.06   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 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 63.2:
    * O T HB2   MET   92 - HA    MET   92   2.73 +/- 0.31  90.644% * 99.5277% (1.00  10.0 10.00   3.87  63.17) =  99.996%  kept
          HB    ILE   56 - HA    MET   92  14.20 +/- 3.86   1.385% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    MET   92   8.02 +/- 0.86   4.468% *  0.0197% (0.20   1.0  1.00   0.02   0.17) =   0.001%
          HB3   PRO   58 - HA    MET   92  18.28 +/- 3.71   0.628% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    MET   92  13.24 +/- 2.14   1.242% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.71 +/- 0.89   0.991% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  22.01 +/- 3.38   0.226% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  28.64 +/- 2.06   0.088% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.49 +/- 2.65   0.147% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  33.96 +/- 5.98   0.073% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  29.40 +/- 4.71   0.107% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.25, residual support = 60.8:
    * O T HB3   MET   92 - HA    MET   92   2.68 +/- 0.17  74.835% * 83.8441% (1.00  10.0 10.00   4.22  63.17) =  96.093%  kept
          HG3   PRO   93 - HA    MET   92   4.50 +/- 0.21  16.380% * 15.5378% (0.76   1.0  1.00   4.85   1.94) =   3.898%  kept
          HD2   LYS+ 111 - HA    MET   92  13.36 +/- 4.60   4.939% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HA    MET   92  13.21 +/- 1.87   1.001% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    MET   92  16.06 +/- 3.15   0.602% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92  11.60 +/- 3.04   1.550% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  26.04 +/- 2.15   0.096% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.55 +/- 3.44   0.216% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.06 +/- 1.65   0.159% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.60 +/- 2.60   0.222% *  0.0475% (0.57   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 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 63.2:
    * O T HG2   MET   92 - HA    MET   92   3.22 +/- 0.47  76.573% * 99.5593% (1.00  10.0 10.00   2.49  63.17) =  99.979%  kept
          HG2   PRO   52 - HA    MET   92  10.81 +/- 5.06  18.914% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.016%
          QG    GLU- 114 - HA    MET   92  12.31 +/- 2.62   2.565% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    MET   92  14.38 +/- 1.79   1.291% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HA    MET   92  26.31 +/- 3.94   0.337% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  30.90 +/- 2.88   0.113% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  29.98 +/- 4.83   0.208% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.96, residual support = 63.0:
    * O T HG3   MET   92 - HA    MET   92   3.36 +/- 0.83  79.158% * 94.7140% (1.00  10.0 10.00   3.97  63.17) =  99.709%  kept
        T HB2   ASP-  44 - HA    MET   92  11.01 +/- 1.64   4.354% *  4.8600% (0.20   1.0 10.00   0.52   0.02) =   0.281%  kept
          QG    GLN   90 - HA    MET   92   7.73 +/- 0.69   9.006% *  0.0323% (0.34   1.0  1.00   0.02   0.17) =   0.004%
          HB3   ASP-  76 - HA    MET   92  12.81 +/- 1.93   3.765% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - HA    MET   92  16.87 +/- 2.44   0.972% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    MET   92  17.59 +/- 1.02   0.761% *  0.0758% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    MET   92  25.91 +/- 3.83   0.331% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.78 +/- 1.77   0.809% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  26.41 +/- 2.24   0.265% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  26.25 +/- 4.21   0.300% *  0.0211% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  26.37 +/- 5.10   0.280% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.05 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 = 5.87:
          HB    VAL  108 - QB    LYS+ 106   4.31 +/- 0.17  74.851% * 80.4871% (0.92  1.00   1.89   5.92) =  99.221%  kept
          HB    ILE  119 - QB    LYS+ 106  13.01 +/- 2.56   3.599% *  6.2786% (1.00  1.00   0.14   0.02) =   0.372%  kept
        T HB2   GLN   30 - QB    LYS+ 106  16.39 +/- 2.09   1.673% *  9.2214% (1.00 10.00   0.02   0.02) =   0.254%  kept
          HB2   PRO   93 - QB    LYS+ 106  11.45 +/- 1.41   5.456% *  0.5221% (0.57  1.00   0.02   0.02) =   0.047%
          HB3   GLU- 100 - QB    LYS+ 106  14.87 +/- 0.85   1.938% *  0.9140% (0.99  1.00   0.02   0.02) =   0.029%
          HB2   ARG+  54 - QB    LYS+ 106  18.34 +/- 2.37   1.917% *  0.7999% (0.87  1.00   0.02   0.02) =   0.025%
          HG3   GLN   30 - QB    LYS+ 106  17.14 +/- 2.31   1.444% *  0.7999% (0.87  1.00   0.02   0.02) =   0.019%
          HB2   LYS+ 111 - QB    LYS+ 106  11.89 +/- 1.73   4.530% *  0.2053% (0.22  1.00   0.02   0.02) =   0.015%
          HB3   PRO   68 - QB    LYS+ 106  18.50 +/- 2.11   1.092% *  0.4489% (0.49  1.00   0.02   0.02) =   0.008%
          QB    GLU-  15 - QB    LYS+ 106  20.61 +/- 4.02   2.505% *  0.1615% (0.18  1.00   0.02   0.02) =   0.007%
          HB2   GLN   17 - QB    LYS+ 106  20.84 +/- 3.66   0.996% *  0.1615% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 0 structures by 0.85 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.5:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.03  91.583% * 99.8873% (0.76  10.0   4.64  26.49) =  99.994%  kept
          HN    HIS   22 - HA    VAL   75  12.22 +/- 7.28   8.193% *  0.0636% (0.49   1.0   0.02   0.02) =   0.006%
          HN    VAL  108 - HA    VAL   75  17.03 +/- 1.69   0.224% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 82.6:
      O   HN    VAL   75 - HA    VAL   75   2.90 +/- 0.04  93.721% * 93.4809% (0.90  10.0   5.23  83.00) =  99.535%  kept
          HN    ASP-  78 - HA    VAL   75   7.19 +/- 0.32   6.279% *  6.5191% (0.95   1.0   1.32   0.30) =   0.465%  kept
    Distance limit 3.77 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 = 18.0:
          HA    PHE   45 - HB    VAL   75   4.92 +/- 1.64  74.247% * 89.9031% (0.45   0.75  18.32) =  98.057%  kept
          HA    VAL   41 - HB    VAL   75   9.58 +/- 1.42  22.856% *  5.1606% (0.97   0.02   0.02) =   1.733%  kept
          HA    HIS  122 - HB    VAL   75  19.42 +/- 2.97   2.898% *  4.9363% (0.92   0.02   0.02) =   0.210%  kept
    Distance limit 3.73 A violated in 7 structures by 1.23 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.15, residual support = 18.3:
          QD    PHE   45 - HB    VAL   75   4.58 +/- 1.29  92.792% * 98.5874% (0.87   2.15  18.32) =  99.944%  kept
          HD2   HIS  122 - HB    VAL   75  16.32 +/- 2.47   5.145% *  0.7275% (0.69   0.02   0.02) =   0.041%
          HE22  GLN  116 - HB    VAL   75  20.14 +/- 2.71   2.063% *  0.6851% (0.65   0.02   0.02) =   0.015%
    Distance limit 3.80 A violated in 6 structures by 0.92 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.793, support = 0.02, residual support = 1.37:
        T HZ    PHE   72 - HB    VAL   75   6.51 +/- 0.78  66.557% * 97.5882% (0.80 10.00   0.02   1.37) =  98.773%  kept
          HZ2   TRP   27 - HB    VAL   75  10.07 +/- 3.35  33.443% *  2.4118% (0.20  1.00   0.02   1.16) =   1.227%  kept
    Distance limit 4.16 A violated in 17 structures by 2.04 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 4.44, residual support = 82.9:
      O   HN    VAL   75 - HB    VAL   75   2.49 +/- 0.40  96.739% * 97.5073% (0.99  10.0   4.45  83.00) =  99.914%  kept
          HN    ASP-  78 - HB    VAL   75   8.31 +/- 0.54   3.261% *  2.4927% (0.65   1.0   0.78   0.30) =   0.086%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.35, support = 2.47, residual support = 17.8:
        T QE    PHE   45 - QG1   VAL   75   3.17 +/- 0.71  73.316% * 85.7415% (0.34 10.00   2.51  18.32) =  96.824%  kept
          QD    PHE   72 - QG1   VAL   75   5.93 +/- 0.87  18.326% *  8.7270% (0.53  1.00   1.32   1.37) =   2.463%  kept
          HZ    PHE   72 - QG1   VAL   75   7.08 +/- 0.61   8.358% *  5.5315% (0.90  1.00   0.49   1.37) =   0.712%  kept
    Distance limit 3.33 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.14, residual support = 18.3:
          QD    PHE   45 - QG1   VAL   75   2.70 +/- 0.73  97.711% * 99.5866% (1.00   3.14  18.32) =  99.995%  kept
          HD2   HIS  122 - QG1   VAL   75  14.44 +/- 2.11   1.631% *  0.2170% (0.34   0.02   0.02) =   0.004%
          HE22  GLN  116 - QG1   VAL   75  17.29 +/- 2.27   0.658% *  0.1964% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.902, support = 4.94, residual support = 74.8:
          HN    VAL   75 - QG1   VAL   75   3.32 +/- 0.48  80.321% * 68.9289% (0.90   5.23  83.00) =  90.054%  kept
          HN    ASP-  78 - QG1   VAL   75   5.62 +/- 0.34  19.679% * 31.0711% (0.95   2.24   0.30) =   9.946%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 26.5:
          HN    ASP-  76 - QG1   VAL   75   3.20 +/- 0.38  91.189% * 99.1032% (0.41   4.97  26.49) =  99.969%  kept
          HN    VAL  108 - QG1   VAL   75  12.05 +/- 1.57   2.103% *  0.7047% (0.73   0.02   0.02) =   0.016%
          HN    HIS   22 - QG1   VAL   75  11.93 +/- 4.97   6.708% *  0.1921% (0.20   0.02   0.02) =   0.014%
    Distance limit 3.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 0.02, residual support = 1.14:
          HB2   CYS   21 - QG2   VAL   75  10.82 +/- 7.29  49.558% * 67.1992% (0.76   0.02   1.42) =  80.494%  kept
          QE    LYS+  81 - QG2   VAL   75  10.58 +/- 0.93  35.337% * 15.3994% (0.18   0.02   0.02) =  13.153%  kept
          QE    LYS+ 111 - QG2   VAL   75  15.42 +/- 2.55  15.105% * 17.4014% (0.20   0.02   0.02) =   6.353%  kept
    Distance limit 3.71 A violated in 16 structures by 3.80 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.653, support = 0.75, residual support = 12.2:
          HZ    PHE   45 - QG2   VAL   75   5.26 +/- 1.70  51.756% * 63.0260% (0.76   0.75  18.32) =  64.648%  kept
          HZ3   TRP   27 - QG2   VAL   75   6.44 +/- 4.11  48.244% * 36.9740% (0.45   0.75   1.16) =  35.352%  kept
    Distance limit 3.41 A violated in 4 structures by 0.92 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.951, support = 1.87, residual support = 14.1:
          QE    PHE   45 - QG2   VAL   75   3.96 +/- 1.27  49.028% * 65.4725% (0.97   2.20  18.32) =  75.080%  kept
          QD    PHE   72 - QG2   VAL   75   4.75 +/- 1.35  35.970% * 26.1099% (1.00   0.85   1.37) =  21.966%  kept
          HZ    PHE   72 - QG2   VAL   75   6.39 +/- 0.94  15.002% *  8.4177% (0.25   1.09   1.37) =   2.954%  kept
    Distance limit 3.89 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.786, support = 0.591, residual support = 1.07:
          HE3   TRP   27 - QG2   VAL   75   6.99 +/- 4.59  34.002% * 78.6209% (0.80   0.63   1.16) =  92.142%  kept
          HD2   HIS   22 - QG2   VAL   75  12.17 +/- 6.26   8.950% *  9.6431% (0.20   0.31   0.02) =   2.975%  kept
          QE    PHE   95 - QG2   VAL   75   8.53 +/- 1.99  21.214% *  3.0528% (0.98   0.02   0.02) =   2.232%  kept
          HN    LEU   67 - QG2   VAL   75  10.05 +/- 1.37  16.113% *  2.0148% (0.65   0.02   0.02) =   1.119%  kept
          HN    THR   23 - QG2   VAL   75  10.48 +/- 5.79   8.948% *  3.0057% (0.97   0.02   0.02) =   0.927%  kept
          QD    PHE   55 - QG2   VAL   75  14.08 +/- 2.25   4.140% *  2.7016% (0.87   0.02   0.02) =   0.385%  kept
          HD1   TRP   49 - QG2   VAL   75  12.81 +/- 1.89   6.635% *  0.9613% (0.31   0.02   0.02) =   0.220%  kept
    Distance limit 3.61 A violated in 9 structures by 1.71 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 4.86, residual support = 80.3:
          HN    VAL   75 - QG2   VAL   75   3.22 +/- 0.51  87.664% * 80.8680% (0.90   4.99  83.00) =  96.778%  kept
          HN    ASP-  78 - QG2   VAL   75   7.10 +/- 0.87  12.336% * 19.1320% (0.95   1.12   0.30) =   3.222%  kept
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.611, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   5.60 +/- 1.41  90.570% * 48.3894% (0.61   0.02   0.02) =  90.005%  kept
          HN    VAL  108 - QG2   VAL   75  13.36 +/- 1.80   9.430% * 51.6106% (0.65   0.02   0.02) =   9.995%  kept
    Distance limit 4.05 A violated in 8 structures by 1.54 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 = 35.6:
      O   HN    ASP-  76 - HB3   ASP-  76   2.93 +/- 0.57  99.402% * 99.4520% (0.15  10.0   3.71  35.63) =  99.997%  kept
          HN    VAL  108 - HB3   ASP-  76  19.28 +/- 2.18   0.598% *  0.5480% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.41 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.67, residual support = 35.6:
      O   HN    ASP-  76 - HB2   ASP-  76   2.81 +/- 0.38  83.150% * 99.6604% (0.41  10.0   3.67  35.63) =  99.992%  kept
          HN    HIS   22 - HB2   ASP-  76  13.49 +/- 8.37   9.443% *  0.0480% (0.20   1.0   0.02   0.02) =   0.005%
          HN    VAL  108 - QE    LYS+  66  17.95 +/- 4.74   3.129% *  0.0366% (0.15   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HB2   ASP-  76  19.23 +/- 2.07   0.478% *  0.1760% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASP-  76 - QE    LYS+  66  15.35 +/- 2.41   0.782% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.55 +/- 2.07   1.671% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  17.40 +/- 3.86   0.593% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  17.75 +/- 3.66   0.577% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.03 +/- 1.68   0.177% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.376, support = 0.595, residual support = 0.59:
          HN    LEU   80 - HA    THR   77   4.50 +/- 1.55  87.410% * 88.0055% (0.38   0.60   0.59) =  99.312%  kept
          HN    THR   26 - HA    THR   77  17.43 +/- 5.69   5.400% *  5.0666% (0.65   0.02   0.02) =   0.353%  kept
          HN    CYS   53 - HA    THR   77  15.32 +/- 3.29   3.983% *  4.7503% (0.61   0.02   0.02) =   0.244%  kept
          HN    ALA   34 - HA    THR   77  20.02 +/- 3.58   3.207% *  2.1776% (0.28   0.02   0.02) =   0.090%
    Distance limit 3.66 A violated in 5 structures by 0.97 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.65, support = 4.61, residual support = 27.5:
      O   HN    ASP-  78 - HA    THR   77   3.52 +/- 0.07  89.717% * 91.7495% (0.65  10.0   4.64  27.80) =  98.980%  kept
          HN    VAL   75 - HA    THR   77   7.55 +/- 0.70  10.283% *  8.2505% (0.99   1.0   1.17   0.72) =   1.020%  kept
    Distance limit 3.93 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   2.83 +/- 0.05 100.000% *100.0000% (0.53  10.0   4.03  37.48) = 100.000%  kept
    Distance limit 3.58 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 = 3.18, residual support = 10.5:
        T QD    PHE   45 - QG2   THR   77   3.01 +/- 1.41 100.000% *100.0000% (0.80 10.00   3.18  10.52) = 100.000%  kept
    Distance limit 3.25 A violated in 1 structures by 0.34 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 3.61, residual support = 10.9:
          HN    THR   46 - QG2   THR   77   3.61 +/- 1.60  62.192% * 98.1745% (0.87   3.62  10.96) =  99.716%  kept
          HN    MET   92 - QG2   THR   77   6.02 +/- 2.03  25.507% *  0.4295% (0.69   0.02   0.02) =   0.179%  kept
          HN    LYS+  74 - QG2   THR   77   9.09 +/- 1.20   7.766% *  0.6129% (0.98   0.02   0.02) =   0.078%
          HN    LYS+ 112 - QG2   THR   77  13.30 +/- 2.72   2.919% *  0.3290% (0.53   0.02   0.02) =   0.016%
          HN    MET   11 - QG2   THR   77  24.82 +/- 5.45   1.616% *  0.4541% (0.73   0.02   0.02) =   0.012%
    Distance limit 3.48 A violated in 2 structures by 0.48 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   2.37 +/- 0.50 100.000% *100.0000% (0.87   4.03  37.48) = 100.000%  kept
    Distance limit 3.15 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 = 0.62, support = 1.38, residual support = 4.22:
          HA    ALA   20 - HB2   LYS+  74   8.82 +/- 8.52  63.137% * 61.8041% (0.61   1.55   5.34) =  73.484%  kept
          HA    LEU   71 - HB2   LYS+  74   9.24 +/- 2.23  36.863% * 38.1959% (0.64   0.92   1.13) =  26.516%  kept
    Distance limit 3.82 A violated in 4 structures by 0.79 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.775, support = 2.11, residual support = 4.06:
          HA    ALA   20 - HB3   LYS+  74   8.58 +/- 8.40  63.154% * 57.1857% (0.76   2.31   5.34) =  69.599%  kept
          HA    LEU   71 - HB3   LYS+  74   8.97 +/- 2.14  36.846% * 42.8143% (0.80   1.65   1.13) =  30.401%  kept
    Distance limit 3.74 A violated in 5 structures by 0.72 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   2.82 +/- 0.21  97.938% * 99.8966% (0.80  10.0   6.20 186.64) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  13.38 +/- 1.65   1.123% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  15.24 +/- 1.86   0.939% *  0.0278% (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 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.3:
      O T HA    PRO   93 - HB2   PRO   93   2.35 +/- 0.13  99.780% * 99.9221% (0.49  10.0 10.00   5.98 132.34) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.45 +/- 3.15   0.220% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.42, support = 1.64, residual support = 1.76:
          HB3   MET   92 - HB3   PRO   93   5.28 +/- 0.34  32.049% * 75.0731% (0.41  1.00   1.81   1.94) =  90.376%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  11.01 +/- 4.51  20.041% *  6.2116% (0.31 10.00   0.02   0.02) =   4.676%  kept
        T HB2   LEU   73 - HB3   PRO   93  13.40 +/- 3.43   5.497% * 11.3940% (0.57 10.00   0.02   0.02) =   2.353%  kept
          QG1   ILE   56 - HB3   PRO   93   7.52 +/- 3.10  26.073% *  1.8049% (0.90  1.00   0.02   0.02) =   1.768%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.42 +/- 2.32  10.897% *  1.5380% (0.76  1.00   0.02   0.02) =   0.630%  kept
          HB    ILE   89 - HB3   PRO   93  10.42 +/- 0.92   4.096% *  0.7553% (0.38  1.00   0.02   0.02) =   0.116%  kept
          QD    LYS+  99 - HB3   PRO   93  18.77 +/- 1.57   0.700% *  1.6115% (0.80  1.00   0.02   0.02) =   0.042%
          HB3   LYS+  99 - HB3   PRO   93  19.22 +/- 1.62   0.647% *  1.6115% (0.80  1.00   0.02   0.02) =   0.039%
    Distance limit 3.46 A violated in 1 structures by 0.95 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.3:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  95.526% * 99.4465% (0.80  10.0   6.01 132.34) =  99.997%  kept
          HG3   PRO   52 - HB3   PRO   93  10.77 +/- 4.61   2.057% *  0.0853% (0.69   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HB3   PRO   93  10.30 +/- 2.07   1.001% *  0.0511% (0.41   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HB3   PRO   93  12.67 +/- 2.96   0.379% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  12.14 +/- 2.92   0.435% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  13.64 +/- 2.65   0.406% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  26.10 +/- 4.04   0.039% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  30.59 +/- 5.53   0.032% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.49 +/- 2.34   0.081% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  23.92 +/- 1.96   0.044% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.13, residual support = 132.3:
      O   HA    PRO   93 - HB3   PRO   93   2.69 +/- 0.13 100.000% *100.0000% (0.92  10.0   5.13 132.34) = 100.000%  kept
    Distance limit 3.62 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 = 0.422:
          QD    PHE   45 - HB3   PRO   93   6.66 +/- 1.00 100.000% *100.0000% (0.76   0.02   0.42) = 100.000%  kept
    Distance limit 4.15 A violated in 17 structures by 2.50 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.921, support = 1.36, residual support = 3.27:
          QD1   ILE   19 - HG2   GLN   30   5.78 +/- 2.74  42.037% * 57.3876% (0.95   1.50   4.00) =  77.129%  kept
          QD2   LEU  104 - HG2   GLN   30  13.69 +/- 4.43  18.412% * 33.3915% (0.84   0.99   0.92) =  19.657%  kept
          QG2   VAL   18 - HG2   GLN   30   9.15 +/- 2.56  11.618% *  7.4909% (0.90   0.21   0.02) =   2.782%  kept
          QG1   VAL   41 - HG2   GLN   30   8.53 +/- 2.91  17.202% *  0.3937% (0.49   0.02   0.02) =   0.217%  kept
          QG1   VAL   43 - HG2   GLN   30  10.92 +/- 3.66   7.404% *  0.5556% (0.69   0.02   0.02) =   0.132%  kept
          QG2   THR   46 - HG2   GLN   30  14.88 +/- 3.31   3.327% *  0.7806% (0.97   0.02   0.02) =   0.083%
    Distance limit 3.86 A violated in 6 structures by 0.87 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.744, residual support = 4.8:
        T QG2   THR   26 - HG2   GLN   30   3.27 +/- 0.70  75.994% * 82.0059% (0.61 10.00   0.75   4.85) =  98.975%  kept
        T HD2   LYS+ 121 - HG2   GLN   30  21.44 +/- 6.23   7.169% *  2.7554% (0.76 10.00   0.02   0.02) =   0.314%  kept
          HG    LEU  104 - HG2   GLN   30  15.86 +/- 4.64   3.063% *  6.3926% (0.73  1.00   0.49   0.92) =   0.311%  kept
        T HB3   LYS+ 121 - HG2   GLN   30  21.15 +/- 6.72   6.962% *  2.6181% (0.73 10.00   0.02   0.02) =   0.289%  kept
        T QD    LYS+  66 - HG2   GLN   30  16.66 +/- 2.99   0.945% *  3.5975% (1.00 10.00   0.02   0.02) =   0.054%
        T HD3   LYS+  74 - HG2   GLN   30  15.02 +/- 3.95   1.405% *  2.0412% (0.57 10.00   0.02   0.02) =   0.046%
          HB2   LYS+  74 - HG2   GLN   30  12.47 +/- 4.27   3.053% *  0.1230% (0.34  1.00   0.02   0.02) =   0.006%
          HG2   LYS+  65 - HG2   GLN   30  16.53 +/- 3.85   1.068% *  0.2477% (0.69  1.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HG2   GLN   30  25.52 +/- 3.63   0.340% *  0.2187% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.01, residual support = 238.2:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.68 +/- 0.26  93.769% * 99.8036% (0.95  10.0 10.00   7.01 238.19) =  99.994%  kept
          QB    ALA   47 - HB3   LYS+ 112  10.93 +/- 2.60   5.098% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   42 - HB3   LYS+ 112  12.94 +/- 2.02   1.134% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.49, residual support = 238.2:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.80 +/- 0.26  96.837% * 99.8561% (0.73  10.0 10.00   6.49 238.19) =  99.999%  kept
          HB    THR   46 - HB3   LYS+ 112  12.67 +/- 3.35   2.171% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB3   LYS+ 112  16.60 +/- 1.65   0.550% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  23.10 +/- 5.99   0.442% *  0.0516% (0.38   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 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.97, residual support = 238.2:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.49 +/- 0.51  97.857% * 99.7523% (0.97  10.0   5.97 238.19) =  99.999%  kept
          HN    LYS+  74 - HB3   LYS+ 112  18.93 +/- 3.50   0.559% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  14.32 +/- 2.56   0.732% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  14.17 +/- 3.02   0.763% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  32.32 +/- 6.66   0.088% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.73, residual support = 238.2:
      O   HN    LYS+ 112 - HB2   LYS+ 112   3.15 +/- 0.49  84.759% * 99.6310% (0.84  10.0   5.73 238.19) =  99.994%  kept
          HN    LYS+  74 - HB    VAL   42   8.64 +/- 2.08  11.719% *  0.0310% (0.26   1.0   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HB    VAL   42  17.52 +/- 1.96   0.619% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB2   LYS+ 112  18.54 +/- 3.88   0.960% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  15.58 +/- 1.37   0.782% *  0.0343% (0.29   1.0   0.02   0.12) =   0.000%
          HN    MET   11 - HB    VAL   42  23.01 +/- 4.30   0.394% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  18.49 +/- 3.21   0.615% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  31.91 +/- 6.52   0.152% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.796, support = 2.05, residual support = 3.77:
          HA    PHE   72 - HB    VAL   42   5.25 +/- 2.12  60.483% * 85.3532% (0.85   2.10   4.11) =  91.801%  kept
          HA    MET   96 - HB    VAL   42   7.67 +/- 0.68  32.946% * 13.9429% (0.19   1.51   0.02) =   8.169%  kept
          HA    PHE   72 - HB2   LYS+ 112  18.99 +/- 3.90   1.912% *  0.5736% (0.60   0.02   0.02) =   0.020%
          HA    MET   96 - HB2   LYS+ 112  14.50 +/- 2.11   4.659% *  0.1303% (0.14   0.02   0.02) =   0.011%
    Distance limit 3.83 A violated in 10 structures by 1.39 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.09, residual support = 87.2:
      O   HN    VAL   42 - HB    VAL   42   2.64 +/- 0.32  83.100% * 85.8132% (0.80  10.0   6.15  89.24) =  97.741%  kept
          HN    LEU   73 - HB    VAL   42   6.17 +/- 1.52  11.822% * 13.9190% (0.80   1.0   3.24   0.64) =   2.255%  kept
          HN    LYS+ 106 - HB    VAL   42  11.36 +/- 1.24   1.424% *  0.0601% (0.56   1.0   0.02   0.02) =   0.001%
          HN    ILE   19 - HB    VAL   42  12.28 +/- 4.65   1.783% *  0.0258% (0.24   1.0   0.02   0.02) =   0.001%
          HN    LEU   73 - HB2   LYS+ 112  18.07 +/- 4.02   0.708% *  0.0606% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB2   LYS+ 112  14.68 +/- 1.72   0.691% *  0.0424% (0.40   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  18.79 +/- 2.24   0.288% *  0.0606% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  21.77 +/- 2.88   0.185% *  0.0182% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.532, support = 1.67, residual support = 2.74:
          QD    PHE   60 - HB    VAL   42   8.35 +/- 2.28  20.107% * 57.0819% (0.66   2.00   4.03) =  62.219%  kept
          QD    PHE   60 - HB2   LYS+ 112   9.21 +/- 2.90  13.356% * 26.6356% (0.47   1.32   0.57) =  19.285%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.67 +/- 4.35  44.177% *  4.4866% (0.12   0.86   0.84) =  10.745%  kept
          HE3   TRP   27 - HB    VAL   42   8.88 +/- 1.95  14.240% *  9.8996% (0.22   1.06   0.47) =   7.642%  kept
          HN    LYS+  66 - HB    VAL   42   9.76 +/- 1.60   4.311% *  0.2077% (0.24   0.02   0.02) =   0.049%
          HN    LYS+  81 - HB    VAL   42  18.52 +/- 2.23   0.647% *  0.7403% (0.86   0.02   0.02) =   0.026%
          HN    LYS+  81 - HB2   LYS+ 112  23.60 +/- 3.79   0.529% *  0.5225% (0.61   0.02   0.02) =   0.015%
          HN    LYS+  66 - HB2   LYS+ 112  16.01 +/- 2.69   1.151% *  0.1466% (0.17   0.02   0.02) =   0.009%
          QD    PHE   55 - HB    VAL   42  15.89 +/- 2.54   1.035% *  0.1478% (0.17   0.02   0.02) =   0.008%
          HE3   TRP   27 - HB2   LYS+ 112  21.19 +/- 2.71   0.446% *  0.1314% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.04 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.488, support = 0.764, residual support = 4.1:
        T QD    PHE   72 - HB    VAL   42   3.95 +/- 0.75  57.312% * 79.8692% (0.46 10.00   0.74   4.11) =  89.905%  kept
          HZ    PHE   72 - HB    VAL   42   6.00 +/- 1.86  28.161% * 18.1084% (0.78  1.00   0.98   4.11) =  10.016%  kept
        T QD    PHE   72 - HB2   LYS+ 112  15.37 +/- 2.44   1.399% *  1.5239% (0.32 10.00   0.02   0.02) =   0.042%
          QE    PHE   45 - HB    VAL   42   8.69 +/- 1.14  10.625% *  0.1400% (0.30  1.00   0.02   0.02) =   0.029%
          HZ    PHE   72 - HB2   LYS+ 112  16.16 +/- 2.78   0.990% *  0.2598% (0.55  1.00   0.02   0.02) =   0.005%
          QE    PHE   45 - HB2   LYS+ 112  14.95 +/- 1.86   1.514% *  0.0988% (0.21  1.00   0.02   0.02) =   0.003%
    Distance limit 3.95 A violated in 1 structures by 0.22 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   2.67 +/- 0.18  97.639% * 99.2681% (0.14  10.0   2.86  15.43) =  99.982%  kept
          HN    LEU   40 - HA1   GLY  101  11.09 +/- 2.32   2.361% *  0.7319% (1.00   1.0   0.02   0.02) =   0.018%
    Distance limit 3.42 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   2.84 +/- 0.15  97.940% * 99.7871% (0.38  10.0   2.86  15.43) =  99.996%  kept
          HN    LEU   40 - HA2   GLY  101  11.50 +/- 2.03   2.060% *  0.2129% (0.80   1.0   0.02   0.02) =   0.004%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.17:
      O   HN    SER   13 - HA    ALA   12   2.53 +/- 0.43  98.235% * 99.9814% (0.84  10.0   1.72   5.17) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  12.12 +/- 3.39   1.765% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.5:
      O   HN    ALA   12 - HA    ALA   12   2.78 +/- 0.21  98.155% * 99.8617% (0.85  10.0   2.38  12.47) =  99.999%  kept
          HN    ASN   35 - HA    ALA   12  17.48 +/- 4.19   1.510% *  0.0618% (0.53   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ALA   12  25.19 +/- 3.99   0.215% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  29.32 +/- 5.47   0.120% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.5:
      O   HN    ALA   12 - QB    ALA   12   2.51 +/- 0.34  97.092% * 99.7294% (0.46  10.0   2.29  12.47) =  99.997%  kept
          HN    ASN   35 - QB    ALA   12  15.06 +/- 3.53   1.474% *  0.1891% (0.87   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - QB    ALA   12  20.00 +/- 4.00   0.717% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  19.79 +/- 6.05   0.718% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 11.9:
      O   HN    ALA   12 - HA    MET   11   2.61 +/- 0.28  93.840% * 99.5700% (0.65  10.0   3.50  11.90) =  99.998%  kept
          HN    ALA   12 - HA    GLU-  14   8.20 +/- 0.67   3.458% *  0.0391% (0.25   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    MET   11  27.67 +/- 5.13   0.179% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  15.23 +/- 4.31   1.628% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  20.06 +/- 4.52   0.440% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.06 +/- 3.50   0.256% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  31.44 +/- 6.39   0.081% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  26.49 +/- 3.73   0.118% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.59, residual support = 11.9:
          HN    ALA   12 - HG3   MET   11   3.99 +/- 0.53  79.708% * 98.7331% (0.97   3.59  11.90) =  99.949%  kept
          HN    ALA   12 - HB3   GLU-  14   8.30 +/- 1.15  11.779% *  0.1952% (0.34   0.02   0.02) =   0.029%
          HN    ASN   35 - HG3   MET   11  20.20 +/- 5.06   3.477% *  0.3225% (0.57   0.02   0.02) =   0.014%
          HN    ASN   35 - HB3   GLU-  14  15.09 +/- 4.23   3.429% *  0.1145% (0.20   0.02   0.02) =   0.005%
          HN    PHE   97 - HG3   MET   11  27.92 +/- 5.33   0.385% *  0.2342% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  31.52 +/- 6.58   0.255% *  0.2342% (0.41   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   GLU-  14  22.60 +/- 3.58   0.658% *  0.0831% (0.15   0.02   0.02) =   0.001%
          HN    LEU  115 - HB3   GLU-  14  27.30 +/- 4.14   0.308% *  0.0831% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.63:
      O   HN    GLU-  14 - HA    SER   13   2.43 +/- 0.20  90.610% * 99.1146% (0.92  10.0   2.10   6.63) =  99.994%  kept
          HE1   HIS  122 - HA    SER   13  21.75 +/- 6.34   1.046% *  0.0860% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   13  15.37 +/- 3.86   0.882% *  0.0860% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HA    SER   13  15.96 +/- 5.11   1.662% *  0.0331% (0.31   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    SER   37  20.74 +/- 6.06   1.009% *  0.0459% (0.43   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    SER   37  16.13 +/- 4.57   0.768% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  22.32 +/- 5.19   0.457% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  12.90 +/- 1.20   0.684% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  13.69 +/- 1.57   0.624% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.86 +/- 1.58   0.560% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.36 +/- 2.76   0.310% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.17 +/- 1.68   0.234% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  20.28 +/- 3.26   0.207% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  30.19 +/- 5.58   0.111% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.67 +/- 1.19   0.459% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  25.39 +/- 3.90   0.105% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  21.46 +/- 3.33   0.184% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  25.96 +/- 3.50   0.088% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.662, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  11.66 +/- 2.65  21.398% * 21.8157% (0.99   0.02   0.02) =  39.474%  kept
          HN    LEU   73 - HA    THR   46  12.46 +/- 1.84  16.353% *  7.5418% (0.34   0.02   0.02) =  10.429%  kept
          HN    ILE   19 - HA    THR   46  18.23 +/- 6.06   8.449% * 13.2032% (0.60   0.02   0.02) =   9.433%  kept
          HN    ILE   19 - HA    SER   37  16.94 +/- 4.26   9.318% * 11.6574% (0.53   0.02   0.02) =   9.186%  kept
          HN    VAL   42 - HA    SER   37  13.08 +/- 0.55  12.633% *  6.6588% (0.30   0.02   0.02) =   7.113%  kept
          HN    VAL   42 - HA    THR   46  13.76 +/- 0.86  10.969% *  7.5418% (0.34   0.02   0.02) =   6.995%  kept
          HN    LEU   73 - HA    SER   13  17.47 +/- 3.33   6.488% * 12.4613% (0.57   0.02   0.02) =   6.836%  kept
          HN    LEU   73 - HA    SER   37  15.38 +/- 2.12   9.442% *  6.6588% (0.30   0.02   0.02) =   5.317%  kept
          HN    VAL   42 - HA    SER   13  19.04 +/- 2.75   4.950% * 12.4613% (0.57   0.02   0.02) =   5.216%  kept
    Distance limit 3.44 A violated in 20 structures by 5.47 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 = 29.4:
      O   HN    SER   37 - HB3   SER   37   2.58 +/- 0.34  96.322% * 99.5355% (0.83  10.0   3.80  29.37) =  99.998%  kept
          HN    SER   37 - QB    SER   13  15.07 +/- 3.56   1.349% *  0.0762% (0.63   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - QB    SER   13  14.09 +/- 3.50   1.138% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  17.03 +/- 3.36   0.503% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  22.69 +/- 5.55   0.273% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  24.02 +/- 4.22   0.190% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  25.02 +/- 2.20   0.116% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  27.30 +/- 3.78   0.109% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.64, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  21.73 +/- 3.52  22.387% * 22.8936% (0.69   0.02   0.02) =  34.846%  kept
          HA    TRP   87 - HB3   GLU-  14  28.37 +/- 6.53  13.152% * 33.2545% (1.00   0.02   0.02) =  29.736%  kept
          HA    LEU  104 - HB3   GLU-  14  23.94 +/- 4.81  17.398% * 12.5086% (0.38   0.02   0.02) =  14.796%  kept
          HA    PHE   59 - HG3   MET   11  25.53 +/- 5.83  15.495% *  8.1279% (0.24   0.02   0.02) =   8.563%  kept
          HA    TRP   87 - HG3   MET   11  34.02 +/- 6.14   6.638% * 11.8063% (0.35   0.02   0.02) =   5.328%  kept
          HA    ASP- 113 - HB3   GLU-  14  29.22 +/- 4.61   8.828% *  5.1424% (0.15   0.02   0.02) =   3.087%  kept
          HA    LEU  104 - HG3   MET   11  29.11 +/- 6.41   9.252% *  4.4409% (0.13   0.02   0.02) =   2.793%  kept
          HA    ASP- 113 - HG3   MET   11  32.76 +/- 7.15   6.851% *  1.8257% (0.05   0.02   0.02) =   0.850%  kept
    Distance limit 3.64 A violated in 20 structures by 13.36 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.86, residual support = 45.2:
      O   HN    GLU-  14 - HB3   GLU-  14   3.24 +/- 0.43  88.628% * 99.5831% (0.92  10.0   3.86  45.21) =  99.995%  kept
          HN    GLU-  14 - HG3   MET   11   9.25 +/- 1.24   4.248% *  0.0354% (0.33   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HB3   GLU-  14  13.39 +/- 3.95   2.651% *  0.0368% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  14  20.96 +/- 4.62   0.761% *  0.1079% (1.00   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  14  21.09 +/- 5.13   0.603% *  0.1069% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG3   MET   11  26.32 +/- 6.10   0.845% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  28.28 +/- 6.86   0.913% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  25.80 +/- 7.71   0.554% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  19.13 +/- 3.87   0.596% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  33.66 +/- 6.61   0.201% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 45.2:
      O   HN    GLU-  14 - HB2   GLU-  14   3.42 +/- 0.46  80.491% * 99.3938% (0.49  10.0   3.89  45.21) =  99.987%  kept
          HN    ASN   35 - HB2   GLU-  14  15.37 +/- 4.48   2.938% *  0.0839% (0.41   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HG2   MET   11   9.24 +/- 1.19   5.740% *  0.0372% (0.18   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HG2   MET   11  20.09 +/- 5.43   4.494% *  0.0314% (0.15   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLU-  14  21.17 +/- 5.10   1.008% *  0.1321% (0.65   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB2   GLU-  14  21.11 +/- 4.78   0.889% *  0.1483% (0.73   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HG2   MET   11  25.97 +/- 7.77   1.041% *  0.0495% (0.24   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ARG+  54  18.08 +/- 4.47   2.087% *  0.0194% (0.10   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG2   MET   11  26.49 +/- 6.37   0.627% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  25.98 +/- 3.03   0.255% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  27.81 +/- 4.70   0.269% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  30.20 +/- 3.30   0.161% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 2.06, residual support = 5.43:
      O   HN    GLY   16 - HA    GLU-  15   2.46 +/- 0.27  96.615% * 99.5949% (0.97  10.0   2.06   5.43) =  99.998%  kept
          HN    GLY   16 - HA    LEU   40  14.86 +/- 5.14   1.338% *  0.0805% (0.78   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    GLU-  15  27.05 +/- 8.03   0.291% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.85 +/- 3.12   0.264% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  15.43 +/- 5.33   0.938% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  24.96 +/- 4.37   0.157% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  21.81 +/- 2.95   0.164% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  24.40 +/- 4.87   0.133% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.29 +/- 2.90   0.099% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.98, residual support = 105.7:
      O   HN    ASN   28 - HA    ASN   28   2.71 +/- 0.04  98.427% * 99.8927% (0.84  10.0   5.98 105.75) =  99.998%  kept
          HN    ASN   69 - HA    ASN   28  16.53 +/- 4.21   1.573% *  0.1073% (0.90   1.0   0.02   0.02) =   0.002%
    Distance limit 3.47 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   3.66 +/- 0.57  68.582% * 92.8332% (0.38 10.00   2.55  19.42) =  99.769%  kept
        T QB    ALA   84 - HA    ASN   28  15.55 +/- 5.22   1.892% *  2.4680% (1.00 10.00   0.02   0.02) =   0.073%
          HB3   LEU   73 - HA    ASN   28  11.99 +/- 4.08   4.947% *  0.8524% (0.38  1.00   0.18   0.34) =   0.066%
        T QB    ALA  124 - HA    ASN   28  23.76 +/- 7.71   1.329% *  2.2183% (0.90 10.00   0.02   0.02) =   0.046%
          HG    LEU   98 - HA    ASN   28  13.32 +/- 3.29   3.643% *  0.2387% (0.97  1.00   0.02   0.02) =   0.014%
          HG3   LYS+  33 - HA    ASN   28   8.13 +/- 0.66   7.416% *  0.0617% (0.25  1.00   0.02   0.02) =   0.007%
          HB3   LEU   80 - HA    ASN   28  15.59 +/- 8.02   3.445% *  0.1301% (0.53  1.00   0.02   1.20) =   0.007%
          HB2   LEU   63 - HA    ASN   28  17.04 +/- 4.30   1.614% *  0.1600% (0.65  1.00   0.02   0.10) =   0.004%
          HB3   ASP-  44 - HA    ASN   28  15.98 +/- 2.18   1.180% *  0.1890% (0.76  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    ASN   28  12.96 +/- 2.12   2.199% *  0.0763% (0.31  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HA    ASN   28  20.64 +/- 2.22   0.546% *  0.2473% (1.00  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    ASN   28  17.76 +/- 3.08   0.882% *  0.1500% (0.61  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HA    ASN   28  17.79 +/- 4.38   1.086% *  0.1017% (0.41  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    ASN   28  18.60 +/- 3.42   0.796% *  0.0763% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    ASN   28  25.63 +/- 3.20   0.240% *  0.1204% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  27.30 +/- 3.23   0.203% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.608, support = 4.05, residual support = 19.2:
          HG    LEU   31 - HA    ASN   28   3.26 +/- 1.08  76.020% * 90.2848% (0.61   4.10  19.42) =  98.606%  kept
          QD2   LEU   73 - HA    ASN   28   9.21 +/- 3.12  10.891% *  8.3472% (0.76   0.30   0.34) =   1.306%  kept
          HG3   LYS+ 121 - HA    ASN   28  22.89 +/- 8.05   9.239% *  0.5550% (0.76   0.02   0.02) =   0.074%
          QD1   ILE   56 - HA    ASN   28  19.17 +/- 2.78   0.924% *  0.7009% (0.97   0.02   0.02) =   0.009%
          QD2   LEU  123 - HA    ASN   28  21.29 +/- 6.67   2.927% *  0.1121% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.84 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.7, residual support = 5.41:
      O   HN    GLY   16 - HA2   GLY   16   2.83 +/- 0.19  99.423% * 99.8461% (0.97  10.0   2.70   5.41) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  24.47 +/- 5.02   0.271% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  28.59 +/- 8.42   0.306% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 17.6:
      O   HN    GLN   17 - HA2   GLY   16   3.46 +/- 0.06  77.744% * 99.5709% (0.65  10.0   3.26  17.60) =  99.979%  kept
          HD21  ASN   69 - HA2   GLY   16  14.64 +/- 6.55  17.001% *  0.0690% (0.45   1.0   0.02   0.02) =   0.015%
          HE3   TRP   87 - HA2   GLY   16  26.28 +/- 7.30   1.575% *  0.1232% (0.80   1.0   0.02   0.02) =   0.003%
          HN    ALA   61 - HA2   GLY   16  18.17 +/- 4.81   1.597% *  0.0749% (0.49   1.0   0.02   0.02) =   0.002%
          HN    TRP   87 - HA2   GLY   16  28.07 +/- 7.61   0.940% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA2   GLY   16  16.89 +/- 2.44   0.927% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  29.87 +/- 6.50   0.216% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 17.6:
      O   HN    GLN   17 - HA1   GLY   16   3.23 +/- 0.07  74.479% * 99.5709% (0.65  10.0   3.26  17.60) =  99.975%  kept
          HD21  ASN   69 - HA1   GLY   16  14.29 +/- 7.07  19.940% *  0.0690% (0.45   1.0   0.02   0.02) =   0.019%
          HE3   TRP   87 - HA1   GLY   16  25.44 +/- 7.43   1.477% *  0.1232% (0.80   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HA1   GLY   16  17.71 +/- 5.04   2.227% *  0.0749% (0.49   1.0   0.02   0.02) =   0.002%
          HN    TRP   87 - HA1   GLY   16  27.24 +/- 7.78   0.895% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA1   GLY   16  16.20 +/- 2.43   0.795% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  29.08 +/- 6.68   0.187% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.7, residual support = 5.41:
      O   HN    GLY   16 - HA1   GLY   16   2.35 +/- 0.18  99.134% * 99.6694% (0.57  10.0   2.70   5.41) =  99.999%  kept
          HN    SER   82 - HA1   GLY   16  27.90 +/- 8.64   0.175% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  22.53 +/- 6.39   0.392% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  23.87 +/- 4.86   0.175% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  28.94 +/- 7.10   0.124% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 85.5:
      O T HB3   GLN   17 - QG    GLN   17   2.40 +/- 0.13  67.738% * 92.0947% (0.58  10.0 10.00   4.31  85.76) =  99.557%  kept
          HB2   LEU   71 - HB    VAL   70   6.43 +/- 0.41   3.675% *  7.0877% (0.15   1.0  1.00   5.86  34.78) =   0.416%  kept
          QB    LYS+  65 - QG    GLN   17  11.47 +/- 4.55   7.618% *  0.1163% (0.74   1.0  1.00   0.02   0.02) =   0.014%
          HB2   LEU   71 - QG    GLN   17  12.29 +/- 5.81   2.889% *  0.1181% (0.75   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   GLN   17 - HB    VAL   70  13.10 +/- 3.68   0.817% *  0.1886% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QG    GLN   17  12.25 +/- 3.68   2.252% *  0.0495% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HB    VAL   70   6.90 +/- 1.09   6.932% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   70   7.92 +/- 0.77   2.111% *  0.0238% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QG    GLN   17  14.91 +/- 4.93   1.025% *  0.0300% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  18.94 +/- 4.53   0.239% *  0.1081% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  21.15 +/- 4.82   0.155% *  0.0828% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.99 +/- 1.59   1.845% *  0.0062% (0.04   1.0  1.00   0.02   2.62) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  15.06 +/- 1.81   0.323% *  0.0221% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.01 +/- 4.88   0.372% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  16.92 +/- 3.29   0.340% *  0.0170% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.07 +/- 4.27   0.306% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  11.35 +/- 1.76   0.889% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.67 +/- 2.01   0.474% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.482, support = 5.56, residual support = 83.9:
          HN    GLN   17 - QG    GLN   17   3.04 +/- 0.76  61.373% * 88.7248% (0.49   5.61  85.76) =  97.025%  kept
          HD21  ASN   69 - HB    VAL   70   6.34 +/- 1.29  17.072% *  9.6118% (0.07   4.28  24.51) =   2.924%  kept
          HD21  ASN   69 - QG    GLN   17  13.27 +/- 4.87   5.815% *  0.2194% (0.34   0.02   0.02) =   0.023%
          HN    ALA   61 - QG    GLN   17  14.03 +/- 3.76   1.650% *  0.2382% (0.37   0.02   0.02) =   0.007%
          HN    TRP   27 - QG    GLN   17  12.43 +/- 3.08   4.381% *  0.0755% (0.12   0.02   0.02) =   0.006%
          HE3   TRP   87 - QG    GLN   17  21.75 +/- 6.32   0.655% *  0.3918% (0.61   0.02   0.02) =   0.005%
          HN    GLN   17 - HB    VAL   70  13.11 +/- 4.42   2.524% *  0.0648% (0.10   0.02   0.02) =   0.003%
          HN    TRP   87 - QG    GLN   17  22.89 +/- 6.89   0.668% *  0.2382% (0.37   0.02   0.02) =   0.003%
          HN    ALA   61 - HB    VAL   70  10.21 +/- 1.83   2.831% *  0.0488% (0.08   0.02   0.02) =   0.002%
          HN    ALA   91 - QG    GLN   17  24.06 +/- 5.87   0.373% *  0.2012% (0.31   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    VAL   70  16.95 +/- 2.99   0.572% *  0.0803% (0.13   0.02   0.02) =   0.001%
          HN    TRP   27 - HB    VAL   70  14.60 +/- 2.61   1.465% *  0.0155% (0.02   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  19.15 +/- 1.87   0.327% *  0.0488% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  20.43 +/- 2.44   0.293% *  0.0412% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.8, residual support = 50.4:
          HN    VAL   18 - QG    GLN   17   3.34 +/- 0.76  75.516% * 99.7449% (0.76   5.81  50.42) =  99.977%  kept
          HN    SER   13 - QG    GLN   17   7.71 +/- 2.47  14.942% *  0.0767% (0.17   0.02   0.02) =   0.015%
          HN    VAL   18 - HB    VAL   70  12.06 +/- 4.93   4.460% *  0.0704% (0.16   0.02   0.02) =   0.004%
          HN    GLU-  29 - QG    GLN   17  13.04 +/- 3.87   3.021% *  0.0767% (0.17   0.02   0.02) =   0.003%
          HN    GLU-  29 - HB    VAL   70  15.66 +/- 2.64   1.261% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.95 +/- 2.37   0.801% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 85.8:
      O   HN    GLN   17 - HB3   GLN   17   3.08 +/- 0.39  91.949% * 99.5709% (0.65  10.0   5.27  85.76) =  99.995%  kept
          HD21  ASN   69 - HB3   GLN   17  14.46 +/- 5.05   3.426% *  0.0690% (0.45   1.0   0.02   0.02) =   0.003%
          HN    ALA   61 - HB3   GLN   17  15.84 +/- 3.45   1.236% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   GLN   17  24.21 +/- 6.40   0.525% *  0.1232% (0.80   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   GLN   17  13.94 +/- 3.09   2.021% *  0.0237% (0.15   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HB3   GLN   17  25.52 +/- 6.98   0.629% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   GLN   17  26.89 +/- 5.79   0.215% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 50.4:
          HN    VAL   18 - HB3   GLN   17   3.55 +/- 0.71  77.968% * 99.8370% (1.00   5.47  50.42) =  99.977%  kept
          HN    SER   13 - HB3   GLN   17   8.35 +/- 2.75  16.735% *  0.0815% (0.22   0.02   0.02) =   0.018%
          HN    GLU-  29 - HB3   GLN   17  14.56 +/- 4.09   5.297% *  0.0815% (0.22   0.02   0.02) =   0.006%
    Distance limit 3.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 85.7:
      O T HB3   GLN   17 - HA    GLN   17   2.70 +/- 0.24  76.429% * 98.3203% (0.76  10.0 10.00   4.00  85.76) =  99.911%  kept
          QB    LYS+  65 - HA    GLN   17  12.65 +/- 5.30   3.834% *  1.2251% (0.97   1.0  1.00   0.20   0.02) =   0.062%
          HB2   LEU   71 - HA    GLN   17  12.99 +/- 7.61  13.494% *  0.1261% (0.98   1.0  1.00   0.02   0.02) =   0.023%
          QB    LYS+  66 - HA    GLN   17  13.40 +/- 4.47   3.308% *  0.0529% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    GLN   17  16.13 +/- 6.10   1.537% *  0.0321% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    GLN   17  20.59 +/- 5.06   0.339% *  0.1154% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    GLN   17  23.31 +/- 5.63   0.212% *  0.0884% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.71 +/- 5.52   0.435% *  0.0199% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.41 +/- 4.80   0.413% *  0.0199% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.16, residual support = 85.7:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  73.202% * 94.0226% (0.18  10.0 10.00   4.17  85.76) =  99.887%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.06 +/- 0.90   3.318% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.051%
        T HB3   GLN   17 - HB3   PRO   68  14.79 +/- 5.24   0.580% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.020%
          QB    LYS+  65 - QB    GLU-  15  14.32 +/- 4.39   9.058% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.018%
          QB    LYS+  66 - HB3   PRO   68   6.11 +/- 1.88   4.650% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   71 - QB    GLU-  15  12.95 +/- 5.59   1.970% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - HB3   PRO   68   9.08 +/- 1.09   0.681% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB3   PRO   68  10.62 +/- 1.36   0.515% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB2   GLN   17  13.34 +/- 6.22   1.227% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB2   GLN   17  12.82 +/- 4.38   0.804% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    GLU-  15  14.66 +/- 3.26   0.497% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  15.67 +/- 4.74   0.811% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  19.18 +/- 3.11   0.082% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  19.01 +/- 4.96   0.178% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  13.71 +/- 3.53   0.418% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  20.51 +/- 4.40   0.087% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  15.61 +/- 3.70   0.305% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  14.56 +/- 2.02   0.158% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  20.94 +/- 4.78   0.087% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  20.11 +/- 5.29   0.437% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.27 +/- 4.94   0.264% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  17.21 +/- 4.33   0.293% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  24.59 +/- 4.61   0.043% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  23.40 +/- 4.64   0.043% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  19.21 +/- 2.58   0.070% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  20.98 +/- 4.92   0.121% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  18.83 +/- 4.40   0.101% *  0.0190% (0.04   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 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.4:
      O   HA    PRO   68 - HB3   PRO   68   2.41 +/- 0.19  97.133% * 99.9155% (0.19  10.0   2.96  36.35) =  99.999%  kept
          HA    PRO   68 - HB2   GLN   17  14.32 +/- 5.31   1.896% *  0.0398% (0.07   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - QB    GLU-  15  14.81 +/- 4.36   0.971% *  0.0447% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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   3.16 +/- 0.65  58.994% * 97.9582% (0.24   5.47  50.42) =  99.870%  kept
          HN    VAL   18 - QB    GLU-  15   8.12 +/- 0.62   5.850% *  0.4022% (0.27   0.02   0.02) =   0.041%
          HN    VAL   18 - HB3   PRO   68  14.56 +/- 5.68   2.513% *  0.8990% (0.61   0.02   0.02) =   0.039%
          HN    SER   13 - HB2   GLN   17   8.79 +/- 3.07  15.001% *  0.0800% (0.05   0.02   0.02) =   0.021%
          HN    SER   13 - QB    GLU-  15   6.96 +/- 1.11   9.261% *  0.0897% (0.06   0.02   0.02) =   0.014%
          HN    GLU-  29 - HB2   GLN   17  14.21 +/- 4.18   4.572% *  0.0800% (0.05   0.02   0.02) =   0.006%
          HN    GLU-  29 - HB3   PRO   68  19.42 +/- 4.53   0.948% *  0.2006% (0.14   0.02   0.02) =   0.003%
          HN    GLU-  29 - QB    GLU-  15  13.66 +/- 3.75   2.064% *  0.0897% (0.06   0.02   0.02) =   0.003%
          HN    SER   13 - HB3   PRO   68  17.94 +/- 4.83   0.798% *  0.2006% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.4:
      O   HN    VAL   18 - HA    GLN   17   2.48 +/- 0.15  98.834% * 99.9233% (0.84  10.0   5.47  50.42) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   17  14.96 +/- 3.46   0.875% *  0.0582% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   17  26.37 +/- 7.96   0.291% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 0.625, support = 0.02, residual support = 0.508:
        T QB    ALA   64 - HA    GLN   17  10.28 +/- 5.19  50.159% * 38.1619% (0.69 10.00   0.02   0.80) =  62.754%  kept
        T QG1   VAL   42 - HA    GLN   17  12.79 +/- 4.18  28.685% * 27.0421% (0.49 10.00   0.02   0.02) =  25.430%  kept
        T QB    ALA   47 - HA    GLN   17  19.75 +/- 5.46  10.343% * 33.6965% (0.61 10.00   0.02   0.02) =  11.426%  kept
          HG2   LYS+ 112 - HA    GLN   17  23.47 +/- 4.75  10.813% *  1.0994% (0.20  1.00   0.02   0.02) =   0.390%  kept
    Distance limit 3.13 A violated in 19 structures by 6.22 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 = 76.3:
      O   HN    VAL   18 - HB    VAL   18   2.61 +/- 0.47  98.095% * 99.9233% (0.84  10.0   4.99  76.25) =  99.999%  kept
          HN    GLU-  29 - HB    VAL   18  13.99 +/- 2.39   1.541% *  0.0582% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB    VAL   18  24.37 +/- 8.01   0.364% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.542, support = 0.748, residual support = 1.45:
        T HB2   PHE   72 - HA    VAL   18   9.93 +/- 6.69  47.121% * 82.4372% (0.49 10.00   0.75   0.89) =  87.950%  kept
          HA    ALA   64 - HA    VAL   18  11.11 +/- 6.09  30.802% * 16.5598% (0.98  1.00   0.75   5.77) =  11.549%  kept
        T HB3   ASN   35 - HA    VAL   18  16.78 +/- 3.46  22.077% *  1.0030% (0.22 10.00   0.02   0.02) =   0.501%  kept
    Distance limit 3.84 A violated in 10 structures by 4.49 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.58, residual support = 21.5:
      O   HN    ILE   19 - HA    VAL   18   2.24 +/- 0.08  90.889% * 96.4489% (0.73  10.0   4.59  21.56) =  99.739%  kept
          HN    LEU   73 - HA    VAL   18  10.29 +/- 7.62   6.654% *  3.3989% (0.92   1.0   0.55   0.59) =   0.257%  kept
          HN    VAL   42 - HA    VAL   18  12.58 +/- 6.59   2.279% *  0.1226% (0.92   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HA    VAL   18  20.03 +/- 3.40   0.179% *  0.0296% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.762, support = 0.609, residual support = 0.327:
          HG    LEU   73 - QG1   VAL   18   9.59 +/- 6.49  15.257% * 52.5463% (0.61   0.87   0.59) =  54.047%  kept
          HG    LEU   67 - QG1   VAL   18   9.93 +/- 6.40  17.949% * 33.3046% (1.00   0.34   0.02) =  40.299%  kept
          QG    LYS+  66 - QG1   VAL   18  10.46 +/- 4.53   6.400% *  4.3394% (0.41   0.11   0.02) =   1.872%  kept
          QB    ALA  120 - QG1   VAL   18  13.69 +/- 4.31  14.939% *  1.3656% (0.69   0.02   0.02) =   1.375%  kept
          HG    LEU   40 - QG1   VAL   18  11.39 +/- 4.39   4.754% *  1.9705% (0.99   0.02   0.02) =   0.632%  kept
          HB3   LEU   67 - QG1   VAL   18   9.91 +/- 6.22  11.811% *  0.4957% (0.25   0.02   0.02) =   0.395%  kept
          QB    ALA   61 - QG1   VAL   18   8.81 +/- 4.36  17.666% *  0.3067% (0.15   0.02   0.29) =   0.365%  kept
          HB3   LEU  115 - QG1   VAL   18  14.59 +/- 3.57   2.529% *  1.9705% (0.99   0.02   0.02) =   0.336%  kept
          HG    LEU  115 - QG1   VAL   18  14.57 +/- 3.31   2.778% *  1.3656% (0.69   0.02   0.02) =   0.256%  kept
          HB3   LEU   40 - QG1   VAL   18  12.32 +/- 3.83   4.099% *  0.8913% (0.45   0.02   0.02) =   0.246%  kept
          HG2   LYS+ 102 - QG1   VAL   18  18.97 +/- 3.67   1.819% *  1.4436% (0.73   0.02   0.02) =   0.177%  kept
    Distance limit 2.96 A violated in 7 structures by 1.91 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.486, support = 3.11, residual support = 8.19:
        T QB    ALA   34 - QG1   VAL   41   3.33 +/- 1.69  43.391% * 97.8928% (0.49 10.00   3.12   8.21) =  99.766%  kept
        T QB    ALA   34 - QG2   VAL   18  10.24 +/- 2.76   9.128% *  0.7481% (0.37 10.00   0.02   0.02) =   0.160%  kept
          QG2   THR   23 - QG2   VAL   18   8.62 +/- 2.37  12.160% *  0.1284% (0.64  1.00   0.02   0.02) =   0.037%
        T QG2   ILE   56 - QG1   VAL   41  14.71 +/- 1.74   0.773% *  0.6207% (0.31 10.00   0.02   0.02) =   0.011%
          QG2   THR   23 - QG1   VAL   41  12.17 +/- 2.43   1.469% *  0.1680% (0.84  1.00   0.02   0.02) =   0.006%
          QG2   THR   77 - QG1   VAL   41  11.79 +/- 1.37   1.641% *  0.1220% (0.61  1.00   0.02   0.02) =   0.005%
          QG2   THR   77 - QG2   VAL   18  12.98 +/- 4.82   1.566% *  0.0932% (0.46  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  38 - QG1   VAL   41   8.67 +/- 1.25   3.575% *  0.0352% (0.18  1.00   0.02   0.02) =   0.003%
          QG2   ILE   56 - QG2   VAL   18  12.70 +/- 3.12   2.630% *  0.0474% (0.24  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QG1   VAL   41  13.71 +/- 1.47   1.558% *  0.0501% (0.25  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - QD2   LEU  104   8.14 +/- 2.12  10.486% *  0.0053% (0.03  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD2   LEU  104  15.96 +/- 4.31   5.532% *  0.0090% (0.04  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QG2   VAL   18  18.11 +/- 4.90   0.448% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.02 +/- 2.41   0.566% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  13.79 +/- 2.01   1.207% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.25 +/- 2.74   1.447% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  11.81 +/- 2.42   1.601% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  14.57 +/- 1.62   0.824% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 4 structures by 0.91 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.83, support = 4.28, residual support = 75.7:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  51.387% * 91.4823% (0.84  10.0 10.00   4.30  76.10) =  99.079%  kept
          HB3   GLN   17 - QG2   VAL   18   5.19 +/- 1.18   7.129% *  3.4185% (0.15   1.0  1.00   4.13  50.42) =   0.514%  kept
          HB2   LEU   71 - QG1   VAL   41   6.43 +/- 2.35   4.320% *  2.8212% (0.69   1.0  1.00   0.75   2.84) =   0.257%  kept
        T HB    VAL   41 - QG2   VAL   18  12.69 +/- 5.03   5.804% *  0.6991% (0.64   1.0 10.00   0.02   0.02) =   0.086%
          QB    LYS+  65 - QG2   VAL   18   9.46 +/- 4.36   4.544% *  0.5074% (0.55   1.0  1.00   0.17   0.02) =   0.049%
          HG12  ILE  103 - QG1   VAL   41   7.47 +/- 1.27   1.848% *  0.0752% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - QG1   VAL   41   8.00 +/- 1.57   1.457% *  0.0915% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - QD2   LEU  104   7.63 +/- 1.76   1.735% *  0.0491% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QG2   VAL   18  10.49 +/- 3.60   1.025% *  0.0808% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QG2   VAL   18  11.37 +/- 5.13   1.124% *  0.0575% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG1   VAL   41  11.81 +/- 1.86   0.482% *  0.1057% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   4.25 +/- 0.99   9.663% *  0.0049% (0.04   1.0  1.00   0.02   0.32) =   0.001%
          QB    LYS+  65 - QG1   VAL   41  12.21 +/- 1.35   0.308% *  0.0795% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   41  13.47 +/- 4.68   0.945% *  0.0217% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.69 +/- 2.24   0.185% *  0.1074% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  15.68 +/- 4.89   0.481% *  0.0344% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.76 +/- 1.12   4.036% *  0.0040% (0.04   1.0  1.00   0.02  37.87) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  16.61 +/- 4.60   0.183% *  0.0820% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  16.09 +/- 3.96   0.200% *  0.0575% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.81 +/- 3.64   0.158% *  0.0699% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  18.02 +/- 4.16   0.156% *  0.0450% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  17.93 +/- 4.11   0.151% *  0.0344% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.12 +/- 2.18   0.890% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.62 +/- 2.48   0.071% *  0.0450% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  13.09 +/- 2.48   0.334% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.63 +/- 4.25   0.431% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  13.91 +/- 2.07   0.239% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.16 +/- 2.29   0.151% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  15.20 +/- 4.62   0.330% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.15 +/- 4.12   0.232% *  0.0012% (0.01   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 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.496, support = 3.33, residual support = 18.8:
          HB3   LEU   40 - QG1   VAL   41   5.09 +/- 0.47  12.946% * 81.6843% (0.46   3.77  21.35) =  87.998%  kept
          HG2   LYS+  65 - QG2   VAL   18  10.44 +/- 5.26  15.467% *  5.9693% (0.76   0.17   0.02) =   7.683%  kept
          QG2   THR   26 - QG1   VAL   41   9.48 +/- 2.59   3.361% *  5.2214% (0.64   0.17   0.02) =   1.460%  kept
          HB2   LYS+  74 - QG2   VAL   18   9.16 +/- 6.84  15.644% *  0.9274% (0.99   0.02   1.26) =   1.207%  kept
          QG2   THR   26 - QG2   VAL   18   7.45 +/- 2.47  13.814% *  0.7816% (0.84   0.02   0.02) =   0.898%  kept
          QB    ALA  120 - QG2   VAL   18  14.00 +/- 4.91   9.515% *  0.3512% (0.38   0.02   0.02) =   0.278%  kept
          HB2   LYS+  74 - QG1   VAL   41  11.31 +/- 1.62   1.133% *  0.7088% (0.76   0.02   0.02) =   0.067%
          HB3   LEU   40 - QD2   LEU  104   7.11 +/- 1.95   8.418% *  0.0872% (0.09   0.02   0.02) =   0.061%
          HB3   LEU   40 - QG2   VAL   18  12.91 +/- 3.19   1.254% *  0.5675% (0.61   0.02   0.02) =   0.059%
          HD2   LYS+ 121 - QD2   LEU  104  11.26 +/- 6.03   5.734% *  0.0988% (0.11   0.02   0.02) =   0.047%
          HD2   LYS+ 121 - QG1   VAL   41  14.99 +/- 4.67   1.044% *  0.4912% (0.52   0.02   0.02) =   0.043%
          QD    LYS+  66 - QG2   VAL   18  11.62 +/- 3.63   1.544% *  0.2888% (0.31   0.02   0.02) =   0.037%
          HD2   LYS+ 121 - QG2   VAL   18  16.08 +/- 4.91   0.566% *  0.6427% (0.69   0.02   0.02) =   0.030%
          QG2   THR   26 - QD2   LEU  104  13.63 +/- 4.09   2.721% *  0.1201% (0.13   0.02   0.02) =   0.027%
          HG2   LYS+  65 - QG1   VAL   41  13.99 +/- 1.91   0.555% *  0.5465% (0.58   0.02   0.02) =   0.025%
          QD    LYS+  66 - QG1   VAL   41  13.00 +/- 2.09   0.999% *  0.2207% (0.24   0.02   0.02) =   0.018%
          HG    LEU  115 - QG2   VAL   18  14.70 +/- 3.35   0.538% *  0.3512% (0.38   0.02   0.02) =   0.016%
          QB    ALA  120 - QG1   VAL   41  15.12 +/- 3.11   0.610% *  0.2684% (0.29   0.02   0.02) =   0.014%
          HG    LEU  115 - QG1   VAL   41  15.88 +/- 2.34   0.426% *  0.2684% (0.29   0.02   0.02) =   0.010%
          QB    ALA  120 - QD2   LEU  104  12.02 +/- 3.52   1.499% *  0.0540% (0.06   0.02   0.02) =   0.007%
          HB2   LYS+  74 - QD2   LEU  104  15.96 +/- 2.57   0.421% *  0.1425% (0.15   0.02   0.02) =   0.005%
          QD    LYS+  66 - QD2   LEU  104  14.00 +/- 3.53   0.905% *  0.0444% (0.05   0.02   0.02) =   0.003%
          HG2   LYS+  65 - QD2   LEU  104  16.21 +/- 2.27   0.332% *  0.1099% (0.12   0.02   0.02) =   0.003%
          HG    LEU  115 - QD2   LEU  104  14.44 +/- 2.67   0.556% *  0.0540% (0.06   0.02   0.02) =   0.002%
    Distance limit 2.93 A violated in 0 structures by 0.51 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.815, support = 0.02, residual support = 0.216:
        T HA    ALA   61 - QG2   VAL   18   9.58 +/- 5.00  21.350% * 46.5616% (0.87 10.00   0.02   0.29) =  72.843%  kept
        T HA    ALA   61 - QG1   VAL   41  12.63 +/- 2.15   5.743% * 35.5837% (0.66 10.00   0.02   0.02) =  14.975%  kept
          HD2   PRO   68 - QG2   VAL   18  11.40 +/- 4.30  13.231% *  5.2615% (0.98  1.00   0.02   0.02) =   5.101%  kept
          HA    VAL   24 - QG2   VAL   18  10.64 +/- 1.83  12.133% *  2.6128% (0.49  1.00   0.02   0.02) =   2.323%  kept
          HD2   PRO   68 - QG1   VAL   41  10.61 +/- 1.64   7.651% *  4.0210% (0.75  1.00   0.02   0.02) =   2.254%  kept
          HA    VAL   24 - QG1   VAL   41  11.42 +/- 2.04   6.831% *  1.9968% (0.37  1.00   0.02   0.02) =   0.999%  kept
          HA    ALA   61 - QD2   LEU  104  14.67 +/- 3.38   7.762% *  0.7155% (0.13  1.00   0.02   0.02) =   0.407%  kept
          HD3   PRO   58 - QG2   VAL   18  13.99 +/- 4.06   4.275% *  1.0623% (0.20  1.00   0.02   0.02) =   0.333%  kept
          HA    VAL   24 - QD2   LEU  104  15.83 +/- 4.87  11.155% *  0.4015% (0.07  1.00   0.02   0.02) =   0.328%  kept
          HD2   PRO   68 - QD2   LEU  104  12.53 +/- 2.92   4.546% *  0.8085% (0.15  1.00   0.02   0.02) =   0.269%  kept
          HD3   PRO   58 - QG1   VAL   41  17.41 +/- 1.57   2.162% *  0.8118% (0.15  1.00   0.02   0.02) =   0.129%  kept
          HD3   PRO   58 - QD2   LEU  104  17.18 +/- 3.06   3.160% *  0.1632% (0.03  1.00   0.02   0.02) =   0.038%
    Distance limit 2.94 A violated in 15 structures by 2.77 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.646, support = 4.27, residual support = 76.0:
      O T HA    VAL   41 - QG1   VAL   41   2.60 +/- 0.34  78.339% * 98.8372% (0.65  10.0 10.00   4.27  76.10) =  99.929%  kept
        T HA    VAL   41 - QG2   VAL   18  12.04 +/- 5.15   6.364% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.062%
          HA    PHE   45 - QG2   VAL   18  13.64 +/- 5.85   1.725% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   41 - QD2   LEU  104   8.35 +/- 1.27   3.212% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   45 - QG1   VAL   41  12.14 +/- 0.94   0.889% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  15.39 +/- 5.67   1.839% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   18  15.40 +/- 4.24   1.708% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QD2   LEU  104  12.35 +/- 6.62   5.114% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  14.57 +/- 1.96   0.811% *  0.0082% (0.05   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 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.826, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QG1   VAL   18   9.71 +/- 4.42  35.112% * 36.4324% (1.00   0.02   0.02) =  49.819%  kept
          HN    LYS+  66 - QG1   VAL   18  10.32 +/- 5.25  32.450% * 25.0257% (0.69   0.02   0.02) =  31.626%  kept
          HN    LYS+  81 - QG1   VAL   18  18.90 +/- 7.78   9.558% * 30.4309% (0.84   0.02   0.02) =  11.327%  kept
          QE    PHE   59 - QG1   VAL   18  12.07 +/- 3.22  22.880% *  8.1111% (0.22   0.02   0.02) =   7.228%  kept
    Distance limit 3.13 A violated in 18 structures by 4.55 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 = 76.2:
          HN    VAL   18 - QG1   VAL   18   3.24 +/- 0.53  94.424% * 99.8230% (0.92   5.48  76.25) =  99.990%  kept
          HN    SER   13 - QG1   VAL   18  11.01 +/- 2.69   5.576% *  0.1770% (0.45   0.02   0.02) =   0.010%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.314, support = 1.44, residual support = 1.24:
          HN    LYS+  74 - QG1   VAL   18   9.28 +/- 7.60  55.834% * 92.2451% (0.31   1.47   1.26) =  98.284%  kept
          HN    THR   46 - QG1   VAL   18  14.23 +/- 6.66  12.203% *  2.9622% (0.73   0.02   0.02) =   0.690%  kept
          HN    ASP- 113 - QG1   VAL   18  18.11 +/- 3.92  25.011% *  1.1342% (0.28   0.02   0.02) =   0.541%  kept
          HN    MET   92 - QG1   VAL   18  18.76 +/- 6.02   6.952% *  3.6585% (0.90   0.02   0.02) =   0.485%  kept
    Distance limit 3.58 A violated in 12 structures by 4.24 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.819, support = 4.5, residual support = 21.0:
          HN    ILE   19 - QG1   VAL   18   3.13 +/- 0.66  64.997% * 93.8357% (0.84   4.59  21.56) =  97.389%  kept
          HN    LEU   73 - QG1   VAL   18   8.67 +/- 6.86  26.814% *  6.0673% (0.20   1.25   0.59) =   2.598%  kept
          HN    VAL   42 - QG1   VAL   18  10.75 +/- 5.99   8.188% *  0.0969% (0.20   0.02   0.02) =   0.013%
    Distance limit 3.30 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.705, support = 0.02, residual support = 0.02:
          HN    LYS+  66 - QG2   VAL   18  10.48 +/- 4.51  14.656% * 16.9341% (0.98   0.02   0.02) =  28.870%  kept
          QD    PHE   60 - QG2   VAL   18   9.82 +/- 3.89  14.343% * 13.8337% (0.80   0.02   0.02) =  23.080%  kept
          QD    PHE   60 - QG1   VAL   41  11.54 +/- 1.61   7.877% * 10.5721% (0.61   0.02   0.02) =   9.687%  kept
          HN    LYS+  66 - QG1   VAL   41  12.31 +/- 1.43   5.574% * 12.9415% (0.75   0.02   0.02) =   8.392%  kept
          QE    PHE   59 - QG2   VAL   18  12.21 +/- 3.33   7.239% *  9.7810% (0.57   0.02   0.02) =   8.236%  kept
          QE    PHE   59 - QG1   VAL   41  12.67 +/- 2.59   8.348% *  7.4749% (0.43   0.02   0.02) =   7.259%  kept
          HN    LYS+  81 - QG2   VAL   18  18.42 +/- 7.27   4.311% *  7.7455% (0.45   0.02   0.02) =   3.884%  kept
          HN    PHE   59 - QG2   VAL   18  12.92 +/- 3.73   6.151% *  3.8463% (0.22   0.02   0.02) =   2.752%  kept
          HN    LYS+  81 - QG1   VAL   41  16.35 +/- 2.62   2.766% *  5.9193% (0.34   0.02   0.02) =   1.904%  kept
          QE    PHE   59 - QD2   LEU  104  11.44 +/- 3.20  10.248% *  1.5030% (0.09   0.02   0.02) =   1.792%  kept
          QD    PHE   60 - QD2   LEU  104  12.98 +/- 2.50   7.087% *  2.1257% (0.12   0.02   0.02) =   1.752%  kept
          HN    LYS+  66 - QD2   LEU  104  14.25 +/- 2.12   3.221% *  2.6021% (0.15   0.02   0.02) =   0.975%  kept
          HN    PHE   59 - QG1   VAL   41  15.85 +/- 1.35   2.628% *  2.9394% (0.17   0.02   0.02) =   0.899%  kept
          HN    LYS+  81 - QD2   LEU  104  20.03 +/- 2.76   1.972% *  1.1902% (0.07   0.02   0.02) =   0.273%  kept
          HN    PHE   59 - QD2   LEU  104  15.56 +/- 2.84   3.581% *  0.5910% (0.03   0.02   0.02) =   0.246%  kept
    Distance limit 3.19 A violated in 18 structures by 3.19 A, eliminated.
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.25, residual support = 76.2:
          HN    VAL   18 - QG2   VAL   18   2.59 +/- 0.76  76.840% * 98.1405% (0.61   5.26  76.25) =  99.948%  kept
          HN    VAL   18 - QG1   VAL   41  12.95 +/- 4.95   3.032% *  0.2854% (0.46   0.02   0.02) =   0.011%
          HN    GLU-  29 - QG1   VAL   41  10.30 +/- 2.26   2.434% *  0.3417% (0.55   0.02   0.02) =   0.011%
          HN    GLU-  29 - QG2   VAL   18  11.49 +/- 2.25   1.592% *  0.4472% (0.73   0.02   0.02) =   0.009%
          HN    GLN   30 - QG1   VAL   41   8.49 +/- 2.39   5.369% *  0.1174% (0.19   0.02   0.02) =   0.008%
          HN    GLN   30 - QG2   VAL   18  10.65 +/- 2.14   2.262% *  0.1536% (0.25   0.02   0.02) =   0.005%
          HN    ASP-  86 - QG1   VAL   41  14.53 +/- 2.61   1.002% *  0.1453% (0.24   0.02   0.02) =   0.002%
          HN    GLU-  29 - QD2   LEU  104  15.45 +/- 4.28   1.775% *  0.0687% (0.11   0.02   0.02) =   0.002%
          HN    GLN   30 - QD2   LEU  104  13.76 +/- 4.24   4.143% *  0.0236% (0.04   0.02   0.92) =   0.001%
          HN    ASP-  86 - QG2   VAL   18  19.77 +/- 6.60   0.504% *  0.1901% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - QD2   LEU  104  16.38 +/- 3.72   0.539% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.89 +/- 3.01   0.509% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.57, residual support = 76.1:
          HN    VAL   41 - QG1   VAL   41   2.40 +/- 0.52  84.532% * 98.5014% (0.14   4.57  76.10) =  99.980%  kept
          HN    LYS+ 106 - QG1   VAL   41  11.80 +/- 1.21   1.106% *  0.6304% (0.20   0.02   0.02) =   0.008%
          HN    VAL   41 - QG2   VAL   18  12.80 +/- 3.86   1.377% *  0.3294% (0.10   0.02   0.02) =   0.005%
          HN    VAL   41 - QD2   LEU  104   6.61 +/- 1.27   9.133% *  0.0232% (0.01   0.02   0.02) =   0.003%
          HN    LYS+ 106 - QG2   VAL   18  16.83 +/- 3.37   0.426% *  0.4817% (0.15   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QD2   LEU  104   7.68 +/- 0.40   3.425% *  0.0339% (0.01   0.02   0.11) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.33, residual support = 85.7:
          HN    VAL   83 - QG1   VAL   83   2.82 +/- 0.51  95.617% * 98.5337% (0.36   5.33  85.70) =  99.983%  kept
          HN    CYS   50 - QG1   VAL   83  15.08 +/- 2.03   0.760% *  0.7796% (0.75   0.02   0.02) =   0.006%
          HN    TRP   49 - QG1   VAL   83  13.77 +/- 1.87   1.074% *  0.5088% (0.49   0.02   0.02) =   0.006%
          HE22  GLN   30 - QG1   VAL   83  12.94 +/- 5.64   2.549% *  0.1779% (0.17   0.02   0.02) =   0.005%
    Distance limit 3.15 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.466, support = 0.488, residual support = 0.13:
        T QG2   VAL   24 - QG1   VAL   83   8.72 +/- 6.11  35.987% * 90.9589% (0.46 10.00   0.51   0.14) =  95.289%  kept
        T QG1   VAL  107 - QG1   VAL   83  12.56 +/- 1.08  21.513% *  5.8681% (0.75 10.00   0.02   0.02) =   3.675%  kept
        T HG    LEU   63 - QG1   VAL   83  14.92 +/- 2.58   9.683% *  2.5390% (0.33 10.00   0.02   0.02) =   0.716%  kept
          QG1   VAL   24 - QG1   VAL   83   9.44 +/- 5.67  23.966% *  0.3559% (0.46  1.00   0.02   0.14) =   0.248%  kept
          HD3   LYS+ 112 - QG1   VAL   83  17.65 +/- 2.57   8.851% *  0.2781% (0.36  1.00   0.02   0.02) =   0.072%
    Distance limit 3.03 A violated in 13 structures by 3.76 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.461, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  13.07 +/- 3.99  27.630% * 27.9530% (0.14 10.00   0.02   0.02) =  48.963%  kept
          HB2   PRO   58 - HA    ILE   19  17.94 +/- 3.59  14.320% * 19.0666% (0.92  1.00   0.02   0.02) =  17.309%  kept
          HB3   PHE   97 - HA    ILE   19  17.41 +/- 2.75  10.862% * 19.0666% (0.92  1.00   0.02   0.02) =  13.130%  kept
          HB2   GLU- 100 - HA    ILE   19  20.22 +/- 3.73   8.229% * 14.1878% (0.69  1.00   0.02   0.02) =   7.401%  kept
          QG    GLU-  79 - HA    ILE   19  15.94 +/- 8.05  32.667% *  3.1869% (0.15  1.00   0.02   0.02) =   6.600%  kept
          HB2   GLN  116 - HA    ILE   19  21.71 +/- 4.29   6.292% * 16.5389% (0.80  1.00   0.02   0.02) =   6.597%  kept
    Distance limit 3.85 A violated in 17 structures by 5.65 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.08, residual support = 20.4:
      O   HN    ALA   20 - HA    ILE   19   2.24 +/- 0.06  99.390% * 99.9363% (0.73  10.0   5.08  20.35) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  16.54 +/- 4.54   0.506% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  24.09 +/- 3.46   0.104% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.76, residual support = 124.1:
      O   HN    ILE   19 - HA    ILE   19   2.92 +/- 0.03  89.659% * 99.8764% (0.98  10.0   5.76 124.11) =  99.993%  kept
          HN    LEU   73 - HA    ILE   19  10.13 +/- 5.65   8.080% *  0.0618% (0.61   1.0   0.02   5.02) =   0.006%
          HN    VAL   42 - HA    ILE   19  13.03 +/- 4.30   2.261% *  0.0618% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.68 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 = 2.27, residual support = 5.02:
          HA    LEU   73 - HB    ILE   19   9.25 +/- 7.51 100.000% *100.0000% (0.95   2.27   5.02) = 100.000%  kept
    Distance limit 3.90 A violated in 9 structures by 5.44 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 4.9, residual support = 121.1:
      O   HN    ILE   19 - HB    ILE   19   3.08 +/- 0.50  74.699% * 90.4296% (0.65  10.0   4.99 124.11) =  97.452%  kept
          HN    LEU   73 - HB    ILE   19   9.45 +/- 6.04  18.711% *  9.3966% (0.97   1.0   1.39   5.02) =   2.537%  kept
          HN    VAL   42 - HB    ILE   19  12.21 +/- 4.77   5.942% *  0.1349% (0.97   1.0   0.02   0.02) =   0.012%
          HN    LYS+ 106 - HB    ILE   19  20.26 +/- 3.14   0.647% *  0.0389% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 0.152, residual support = 1.16:
          QD1   LEU   40 - HG    LEU   71   5.90 +/- 1.71  37.035% * 29.2445% (0.06   0.24   1.89) =  60.613%  kept
          QD2   LEU   67 - HG13  ILE   19  11.64 +/- 4.74  12.416% * 28.7454% (0.69   0.02   0.02) =  19.974%  kept
          QD1   LEU   40 - HG13  ILE   19  11.54 +/- 2.89   8.359% * 17.2041% (0.41   0.02   0.02) =   8.048%  kept
          QD2   LEU   67 - HG    LEU   71   8.35 +/- 2.33  23.310% *  4.1205% (0.10   0.02   0.02) =   5.375%  kept
          QG2   ILE  119 - HG13  ILE   19  15.79 +/- 4.08   6.709% * 11.6352% (0.28   0.02   0.02) =   4.369%  kept
          QD1   ILE  103 - HG13  ILE   19  16.49 +/- 2.90   2.438% *  6.4569% (0.15   0.02   0.02) =   0.881%  kept
          QG2   ILE  119 - HG    LEU   71  15.08 +/- 4.22   5.665% *  1.6678% (0.04   0.02   0.02) =   0.529%  kept
          QD1   ILE  103 - HG    LEU   71  13.67 +/- 1.95   4.067% *  0.9256% (0.02   0.02   0.02) =   0.211%  kept
    Distance limit 3.07 A violated in 14 structures by 2.12 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 = 0.637, support = 4.91, residual support = 121.4:
          HN    ILE   19 - HG13  ILE   19   2.99 +/- 0.71  57.270% * 86.0226% (0.65   4.99 124.11) =  97.783%  kept
          HN    VAL   42 - HG    LEU   71   7.14 +/- 2.29  15.933% *  3.5305% (0.14   0.96   1.45) =   1.117%  kept
          HN    LEU   73 - HG    LEU   71   7.97 +/- 1.15   5.279% *  8.2272% (0.14   2.23   2.12) =   0.862%  kept
          HN    LEU   73 - HG13  ILE   19  10.17 +/- 6.49  13.758% *  0.5139% (0.97   0.02   5.02) =   0.140%  kept
          HN    ILE   19 - HG    LEU   71  12.32 +/- 6.39   3.257% *  1.0228% (0.09   0.41   0.29) =   0.066%
          HN    VAL   42 - HG13  ILE   19  12.39 +/- 5.33   2.953% *  0.5139% (0.97   0.02   0.02) =   0.030%
          HN    LYS+ 106 - HG13  ILE   19  20.36 +/- 2.72   0.317% *  0.1480% (0.28   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   71  17.24 +/- 3.21   1.232% *  0.0212% (0.04   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.254, support = 1.38, residual support = 3.94:
          HE22  GLN   30 - QD1   ILE   19   5.99 +/- 3.04  66.758% * 90.7232% (0.25   1.40   4.00) =  98.571%  kept
          HN    VAL   83 - QD1   ILE   19  17.44 +/- 7.55  18.696% *  1.7691% (0.34   0.02   0.02) =   0.538%  kept
          HN    CYS   50 - QD1   ILE   19  19.66 +/- 4.52   7.424% *  4.1528% (0.80   0.02   0.02) =   0.502%  kept
          HN    TRP   49 - QD1   ILE   19  19.66 +/- 4.96   7.121% *  3.3550% (0.65   0.02   0.02) =   0.389%  kept
    Distance limit 4.22 A violated in 6 structures by 1.80 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  17.27 +/- 2.31 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.02 A violated in 20 structures by 13.25 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.54, residual support = 20.3:
          HA    ILE   19 - QB    ALA   20   3.91 +/- 0.07  79.837% * 98.6159% (0.92   3.54  20.35) =  99.861%  kept
          HA    GLU-  25 - QB    ALA   20   9.20 +/- 2.35  14.047% *  0.6035% (1.00   0.02   0.02) =   0.108%  kept
          HA    CYS   53 - QB    ALA   20  15.66 +/- 3.78   4.453% *  0.4146% (0.69   0.02   0.02) =   0.023%
          HA    SER   82 - QB    ALA   20  18.32 +/- 6.80   1.663% *  0.3660% (0.61   0.02   0.02) =   0.008%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.841, support = 0.02, residual support = 2.62:
          QE    LYS+  74 - QB    ALA   20   8.57 +/- 5.15  42.052% * 25.4326% (0.90   0.02   5.34) =  48.889%  kept
          HB3   ASN   69 - QB    ALA   20  14.60 +/- 2.27  14.614% * 27.3678% (0.97   0.02   0.02) =  18.283%  kept
          HB2   PHE   72 - QB    ALA   20   9.79 +/- 3.17  23.975% * 16.0552% (0.57   0.02   0.02) =  17.596%  kept
          QB    CYS   50 - QB    ALA   20  14.29 +/- 4.28  11.176% * 26.1780% (0.92   0.02   0.02) =  13.374%  kept
          HB3   ASP-  78 - QB    ALA   20  14.31 +/- 5.96   8.182% *  4.9664% (0.18   0.02   0.02) =   1.858%  kept
    Distance limit 3.68 A violated in 14 structures by 3.52 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.811, support = 2.23, residual support = 5.21:
          HD2   HIS   22 - QB    ALA   20   3.52 +/- 0.66  52.725% * 62.7463% (0.92   2.24   6.10) =  71.967%  kept
          HN    THR   23 - QB    ALA   20   4.36 +/- 1.42  36.294% * 35.4017% (0.53   2.22   2.92) =  27.950%  kept
          HN    LEU   67 - QB    ALA   20  12.24 +/- 2.86   2.631% *  0.5436% (0.90   0.02   0.02) =   0.031%
          QE    PHE   95 - QB    ALA   20  12.62 +/- 2.90   3.694% *  0.2951% (0.49   0.02   0.02) =   0.024%
          HD1   TRP   49 - QB    ALA   20  17.40 +/- 5.37   1.399% *  0.6008% (0.99   0.02   0.02) =   0.018%
          QD    PHE   55 - QB    ALA   20  15.05 +/- 3.85   2.572% *  0.0935% (0.15   0.02   0.02) =   0.005%
          HD21  ASN   35 - QB    ALA   20  16.61 +/- 1.53   0.684% *  0.3189% (0.53   0.02   0.02) =   0.005%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.96, residual support = 17.1:
          HN    CYS   21 - QB    ALA   20   3.49 +/- 0.23  92.729% * 99.1435% (0.95   3.96  17.12) =  99.981%  kept
          HN    LYS+  33 - QB    ALA   20  12.22 +/- 1.37   2.659% *  0.3214% (0.61   0.02   0.02) =   0.009%
          HN    ILE  119 - QB    ALA   20  16.71 +/- 4.53   2.150% *  0.2788% (0.53   0.02   0.02) =   0.007%
          HN    ILE   89 - QB    ALA   20  17.75 +/- 4.73   1.246% *  0.1635% (0.31   0.02   0.02) =   0.002%
          HN    SER   37 - QB    ALA   20  15.58 +/- 1.67   1.216% *  0.0928% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.94 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 = 3.61, residual support = 14.9:
      O   HN    ALA   20 - QB    ALA   20   2.16 +/- 0.11  99.125% * 99.6086% (0.31  10.0   3.61  14.85) =  99.998%  kept
          HN    PHE   45 - QB    ALA   20  13.29 +/- 3.50   0.671% *  0.2343% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   20  19.32 +/- 3.55   0.204% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.621, support = 0.02, residual support = 0.02:
          HG    LEU  123 - HB2   CYS   21  21.89 +/- 7.67  10.596% * 13.7167% (0.98   0.02   0.02) =  20.555%  kept
          HB    VAL   41 - HB2   CYS   21  14.41 +/- 4.20  10.879% *  9.0526% (0.65   0.02   0.02) =  13.929%  kept
          QB    LYS+  33 - HB2   CYS   21  11.65 +/- 3.22  18.567% *  4.7734% (0.34   0.02   0.02) =  12.535%  kept
          HG2   ARG+  54 - HB2   CYS   21  21.69 +/- 6.81   8.315% *  6.8115% (0.49   0.02   0.02) =   8.010%  kept
          HG12  ILE  103 - HB2   CYS   21  18.30 +/- 2.86   4.604% * 11.2053% (0.80   0.02   0.02) =   7.297%  kept
          QB    LYS+  66 - HB2   CYS   21  16.08 +/- 3.70   7.499% *  6.2738% (0.45   0.02   0.02) =   6.654%  kept
          HG3   PRO   68 - HB2   CYS   21  18.14 +/- 4.40   5.721% *  7.9226% (0.57   0.02   0.02) =   6.411%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.22 +/- 3.24   6.272% *  6.2738% (0.45   0.02   0.02) =   5.566%  kept
          HB3   PRO   52 - HB2   CYS   21  22.95 +/- 5.01   2.803% * 13.7167% (0.98   0.02   0.02) =   5.438%  kept
          HB    ILE  103 - HB2   CYS   21  20.25 +/- 2.92   4.373% *  7.3624% (0.53   0.02   0.02) =   4.554%  kept
          QB    LYS+  81 - HB2   CYS   21  18.48 +/- 8.49   8.331% *  3.1155% (0.22   0.02   0.02) =   3.671%  kept
          QB    LYS+ 106 - HB2   CYS   21  18.14 +/- 2.10   5.128% *  2.7693% (0.20   0.02   0.02) =   2.008%  kept
          HG2   PRO   93 - HB2   CYS   21  20.28 +/- 4.35   3.936% *  3.1155% (0.22   0.02   0.02) =   1.734%  kept
          HB3   GLN   90 - HB2   CYS   21  23.14 +/- 7.06   2.976% *  3.8908% (0.28   0.02   0.02) =   1.638%  kept
    Distance limit 3.77 A violated in 19 structures by 4.80 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.802, support = 1.31, residual support = 6.21:
          QD1   LEU   73 - HB2   CYS   21   7.93 +/- 6.55  27.984% * 53.9579% (0.80   1.50   8.17) =  75.627%  kept
          QD1   LEU   63 - HB2   CYS   21  12.53 +/- 2.97  12.452% * 30.9913% (0.80   0.86   0.16) =  19.329%  kept
          QD2   LEU   63 - HB2   CYS   21  13.33 +/- 2.74   6.401% * 13.3413% (0.92   0.32   0.16) =   4.277%  kept
          QD2   LEU   80 - HB2   CYS   21  12.58 +/- 9.86  14.677% *  0.3694% (0.41   0.02   0.02) =   0.272%  kept
          QD2   LEU  115 - HB2   CYS   21  16.36 +/- 4.17   8.082% *  0.4028% (0.45   0.02   0.02) =   0.163%  kept
          QD1   LEU  104 - HB2   CYS   21  15.29 +/- 3.26  11.982% *  0.2000% (0.22   0.02   0.02) =   0.120%  kept
          QD1   LEU   80 - HB2   CYS   21  13.23 +/-10.05  10.890% *  0.2000% (0.22   0.02   0.02) =   0.109%  kept
          QG2   VAL   41 - HB2   CYS   21  12.11 +/- 4.17   4.184% *  0.3372% (0.38   0.02   0.02) =   0.071%
          QD2   LEU   98 - HB2   CYS   21  13.63 +/- 3.39   3.347% *  0.2000% (0.22   0.02   0.02) =   0.034%
    Distance limit 3.79 A violated in 8 structures by 1.64 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.79, residual support = 30.4:
      O T HA    CYS   21 - HB2   CYS   21   2.68 +/- 0.27  97.760% * 99.6850% (0.92  10.0 10.00   2.79  30.41) =  99.998%  kept
          HA    CYS   50 - HB2   CYS   21  21.42 +/- 6.54   1.096% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB2   CYS   21  22.89 +/- 7.67   0.668% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HB2   CYS   21  20.59 +/- 3.27   0.294% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  24.66 +/- 3.22   0.182% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.803, support = 3.36, residual support = 7.29:
          HD2   HIS   22 - HB2   CYS   21   5.36 +/- 0.97  43.176% * 71.0050% (0.92   3.72   8.84) =  69.763%  kept
          HN    THR   23 - HB2   CYS   21   4.91 +/- 1.04  47.839% * 27.7311% (0.53   2.55   3.73) =  30.188%  kept
          HN    LEU   67 - HB2   CYS   21  15.90 +/- 4.45   2.464% *  0.3710% (0.90   0.02   0.02) =   0.021%
          QE    PHE   95 - HB2   CYS   21  15.70 +/- 3.36   2.258% *  0.2014% (0.49   0.02   0.02) =   0.010%
          HD1   TRP   49 - HB2   CYS   21  22.05 +/- 7.24   1.062% *  0.4100% (0.99   0.02   0.02) =   0.010%
          HD21  ASN   35 - HB2   CYS   21  18.19 +/- 2.88   0.954% *  0.2177% (0.53   0.02   0.02) =   0.005%
          QD    PHE   55 - HB2   CYS   21  19.44 +/- 4.79   2.248% *  0.0638% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.19 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 30.4:
      O   HN    CYS   21 - HB2   CYS   21   2.86 +/- 0.59  91.701% * 99.8294% (0.95  10.0   3.44  30.41) =  99.995%  kept
          HN    ILE  119 - HB2   CYS   21  20.28 +/- 5.19   4.790% *  0.0555% (0.53   1.0   0.02   0.02) =   0.003%
          HN    LYS+  33 - HB2   CYS   21  12.58 +/- 3.13   2.299% *  0.0640% (0.61   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB2   CYS   21  20.81 +/- 6.39   0.483% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  17.23 +/- 3.35   0.726% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.43, support = 0.02, residual support = 0.02:
          HG    LEU  123 - HB3   CYS   21  22.11 +/- 7.79  10.690% * 13.7167% (0.67   0.02   0.02) =  20.600%  kept
          HB    VAL   41 - HB3   CYS   21  14.53 +/- 4.36  11.452% *  9.0526% (0.44   0.02   0.02) =  14.564%  kept
          QB    LYS+  33 - HB3   CYS   21  11.81 +/- 3.17  18.148% *  4.7734% (0.23   0.02   0.02) =  12.170%  kept
          HG2   ARG+  54 - HB3   CYS   21  21.71 +/- 6.72   7.928% *  6.8115% (0.33   0.02   0.02) =   7.587%  kept
          HG12  ILE  103 - HB3   CYS   21  18.31 +/- 2.90   4.714% * 11.2053% (0.55   0.02   0.02) =   7.421%  kept
          HG3   PRO   68 - HB3   CYS   21  18.53 +/- 4.58   5.689% *  7.9226% (0.39   0.02   0.02) =   6.332%  kept
          QB    LYS+  66 - HB3   CYS   21  16.39 +/- 3.93   7.098% *  6.2738% (0.31   0.02   0.02) =   6.256%  kept
          HB3   PRO   52 - HB3   CYS   21  22.77 +/- 4.86   3.052% * 13.7167% (0.67   0.02   0.02) =   5.880%  kept
          HB3   ASP- 105 - HB3   CYS   21  19.27 +/- 3.33   6.097% *  6.2738% (0.31   0.02   0.02) =   5.374%  kept
          HB    ILE  103 - HB3   CYS   21  20.23 +/- 3.08   4.635% *  7.3624% (0.36   0.02   0.02) =   4.794%  kept
          QB    LYS+  81 - HB3   CYS   21  18.35 +/- 8.46   8.590% *  3.1155% (0.15   0.02   0.02) =   3.760%  kept
          QB    LYS+ 106 - HB3   CYS   21  18.10 +/- 2.04   5.345% *  2.7693% (0.14   0.02   0.02) =   2.079%  kept
          HG2   PRO   93 - HB3   CYS   21  20.20 +/- 4.16   3.707% *  3.1155% (0.15   0.02   0.02) =   1.623%  kept
          HB3   GLN   90 - HB3   CYS   21  22.93 +/- 6.88   2.855% *  3.8908% (0.19   0.02   0.02) =   1.560%  kept
    Distance limit 3.87 A violated in 18 structures by 4.66 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.605, support = 1.99, residual support = 3.17:
          QG2   THR   26 - HB3   CYS   21   4.91 +/- 2.32  48.658% * 76.1229% (0.60   2.19   2.41) =  88.137%  kept
          HB2   LYS+  74 - HB3   CYS   21  11.24 +/- 8.00  22.822% * 21.3771% (0.69   0.53   9.07) =  11.609%  kept
          QB    ALA  120 - HB3   CYS   21  19.01 +/- 6.41  14.616% *  0.2736% (0.23   0.02   0.02) =   0.095%
          HG2   LYS+  65 - HB3   CYS   21  16.35 +/- 5.86   4.691% *  0.6423% (0.55   0.02   0.02) =   0.072%
          HD2   LYS+ 121 - HB3   CYS   21  21.74 +/- 5.38   2.809% *  0.5825% (0.50   0.02   0.02) =   0.039%
          HG    LEU  115 - HB3   CYS   21  19.59 +/- 4.28   2.984% *  0.2736% (0.23   0.02   0.02) =   0.019%
          HB3   LEU   40 - HB3   CYS   21  16.99 +/- 2.48   1.620% *  0.4542% (0.39   0.02   0.02) =   0.018%
          QD    LYS+  66 - HB3   CYS   21  17.52 +/- 4.29   1.801% *  0.2736% (0.23   0.02   0.02) =   0.012%
    Distance limit 4.16 A violated in 4 structures by 0.88 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.555, support = 1.59, residual support = 6.69:
          QD1   LEU   73 - HB3   CYS   21   8.02 +/- 6.65  28.714% * 55.1204% (0.55   1.81   8.17) =  81.647%  kept
          QD2   LEU   63 - HB3   CYS   21  13.61 +/- 2.79   6.019% * 29.5807% (0.63   0.84   0.16) =   9.185%  kept
          QD1   LEU   63 - HB3   CYS   21  12.75 +/- 2.87  11.887% * 13.8520% (0.55   0.45   0.16) =   8.494%  kept
          QD2   LEU   80 - HB3   CYS   21  12.51 +/- 9.79  14.754% *  0.3126% (0.28   0.02   0.02) =   0.238%  kept
          QD2   LEU  115 - HB3   CYS   21  16.39 +/- 4.11   8.439% *  0.3409% (0.31   0.02   0.02) =   0.148%  kept
          QD1   LEU  104 - HB3   CYS   21  15.40 +/- 3.48  11.928% *  0.1693% (0.15   0.02   0.02) =   0.104%  kept
          QD1   LEU   80 - HB3   CYS   21  13.20 +/- 9.96  10.924% *  0.1693% (0.15   0.02   0.02) =   0.095%
          QG2   VAL   41 - HB3   CYS   21  12.20 +/- 4.36   3.874% *  0.2854% (0.26   0.02   0.02) =   0.057%
          QD2   LEU   98 - HB3   CYS   21  13.66 +/- 3.41   3.460% *  0.1693% (0.15   0.02   0.02) =   0.030%
    Distance limit 3.96 A violated in 8 structures by 1.61 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.44, residual support = 30.4:
      O   HN    CYS   21 - HB3   CYS   21   3.06 +/- 0.44  93.433% * 99.8294% (0.65  10.0   3.44  30.41) =  99.996%  kept
          HN    LYS+  33 - HB3   CYS   21  12.72 +/- 3.16   2.690% *  0.0640% (0.42   1.0   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   CYS   21  20.39 +/- 5.33   2.250% *  0.0555% (0.36   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB3   CYS   21  20.65 +/- 6.34   0.782% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  17.49 +/- 3.40   0.845% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.694, residual support = 1.37:
          HN    TRP   27 - HB3   CYS   21   6.31 +/- 2.66  56.044% * 87.9199% (0.52   0.70   1.39) =  98.520%  kept
          HD1   TRP   87 - HB3   CYS   21  18.60 +/- 7.56   7.249% *  3.0154% (0.63   0.02   0.02) =   0.437%  kept
          HN    ALA   61 - HB3   CYS   21  16.20 +/- 4.82  15.796% *  1.1143% (0.23   0.02   0.02) =   0.352%  kept
          HN    THR   39 - HB3   CYS   21  17.05 +/- 3.37   5.021% *  3.0900% (0.65   0.02   0.02) =   0.310%  kept
          HN    GLU-  36 - HB3   CYS   21  17.20 +/- 3.28   3.829% *  1.8494% (0.39   0.02   0.02) =   0.142%  kept
          HN    LYS+ 102 - HB3   CYS   21  20.30 +/- 3.37   4.138% *  1.2260% (0.26   0.02   0.02) =   0.101%  kept
          HN    ALA   91 - HB3   CYS   21  21.29 +/- 6.10   3.758% *  1.3429% (0.28   0.02   0.02) =   0.101%  kept
          HE3   TRP   87 - HB3   CYS   21  19.75 +/- 6.06   4.165% *  0.4421% (0.09   0.02   0.02) =   0.037%
    Distance limit 4.14 A violated in 10 structures by 2.22 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.562, support = 3.6, residual support = 7.49:
          HD2   HIS   22 - HB3   CYS   21   5.06 +/- 1.30  43.846% * 74.1289% (0.63   4.05   8.84) =  73.597%  kept
          HN    THR   23 - HB3   CYS   21   4.79 +/- 0.99  47.198% * 24.6596% (0.36   2.36   3.73) =  26.354%  kept
          HN    LEU   67 - HB3   CYS   21  16.23 +/- 4.75   2.852% *  0.3556% (0.62   0.02   0.02) =   0.023%
          HD1   TRP   49 - HB3   CYS   21  21.84 +/- 6.87   1.126% *  0.3930% (0.68   0.02   0.02) =   0.010%
          QE    PHE   95 - HB3   CYS   21  15.69 +/- 3.20   1.966% *  0.1930% (0.33   0.02   0.02) =   0.009%
          HD21  ASN   35 - HB3   CYS   21  18.34 +/- 3.01   1.049% *  0.2086% (0.36   0.02   0.02) =   0.005%
          QD    PHE   55 - HB3   CYS   21  19.34 +/- 4.86   1.962% *  0.0612% (0.11   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.81, residual support = 30.4:
      O T HA    CYS   21 - HB3   CYS   21   2.74 +/- 0.25  97.868% * 99.6850% (0.63  10.0 10.00   2.81  30.41) =  99.998%  kept
          HA    CYS   50 - HB3   CYS   21  21.27 +/- 6.31   0.999% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB3   CYS   21  22.68 +/- 7.38   0.654% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HB3   CYS   21  20.62 +/- 3.49   0.301% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  24.50 +/- 2.95   0.177% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.713, support = 2.93, residual support = 34.2:
      O   HD2   HIS   22 - HB2   HIS   22   3.73 +/- 0.40  57.863% * 87.2931% (0.74  10.0   2.74  35.39) =  91.665%  kept
          HN    THR   23 - HB2   HIS   22   4.37 +/- 0.19  36.958% * 12.4180% (0.42   1.0   4.99  21.63) =   8.329%  kept
          HD1   TRP   49 - HB2   HIS   22  20.95 +/- 7.01   1.834% *  0.0937% (0.79   1.0   0.02   0.02) =   0.003%
          HN    LEU   67 - HB2   HIS   22  18.19 +/- 3.79   0.650% *  0.0848% (0.72   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB2   HIS   22  16.62 +/- 3.96   0.955% *  0.0460% (0.39   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   HIS   22  19.66 +/- 5.81   1.422% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  21.64 +/- 2.00   0.317% *  0.0498% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.926, support = 3.39, residual support = 35.0:
      O   HD2   HIS   22 - HB3   HIS   22   3.22 +/- 0.47  64.665% * 94.8415% (0.95  10.0   3.34  35.39) =  97.433%  kept
          HN    THR   23 - HB3   HIS   22   4.26 +/- 0.24  32.830% *  4.9179% (0.18   1.0   5.60  21.63) =   2.565%  kept
          HD1   TRP   49 - HB3   HIS   22  21.62 +/- 6.86   0.723% *  0.0837% (0.84   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   HIS   22  18.24 +/- 4.01   0.689% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   HIS   22  21.26 +/- 2.26   0.277% *  0.0926% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.09 +/- 3.81   0.816% *  0.0155% (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 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.49, residual support = 21.6:
          QG2   THR   23 - HB3   HIS   22   4.05 +/- 0.37  93.490% * 96.1730% (0.34   3.49  21.63) =  99.913%  kept
          QG2   THR   77 - HB3   HIS   22  14.96 +/- 4.32   3.501% *  1.6001% (0.99   0.02   0.02) =   0.062%
          QB    ALA   88 - HB3   HIS   22  20.17 +/- 3.98   1.042% *  1.1723% (0.73   0.02   0.02) =   0.014%
          HG2   LYS+  99 - HB3   HIS   22  22.47 +/- 4.06   1.220% *  0.4488% (0.28   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HB3   HIS   22  22.99 +/- 2.51   0.746% *  0.6059% (0.38   0.02   0.02) =   0.005%
    Distance limit 3.99 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.492, support = 2.71, residual support = 8.64:
          HN    ALA   47 - HB    THR   46   3.43 +/- 0.58  70.213% * 62.2233% (0.38   3.20  10.73) =  79.519%  kept
          QD    PHE   95 - HB    THR   46   7.03 +/- 2.48  29.787% * 37.7767% (0.95   0.77   0.51) =  20.481%  kept
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.21, residual support = 34.1:
      O   HN    THR   46 - HB    THR   46   3.45 +/- 0.35  71.880% * 99.6646% (0.87  10.0   3.21  34.07) =  99.969%  kept
          HN    MET   92 - HB    THR   46   7.92 +/- 2.53  20.011% *  0.0789% (0.69   1.0   0.02   0.02) =   0.022%
          HN    LYS+  74 - HB    THR   46  10.83 +/- 2.38   3.349% *  0.1126% (0.98   1.0   0.02   0.26) =   0.005%
          HN    LYS+ 112 - HB    THR   46  12.55 +/- 3.24   4.518% *  0.0604% (0.53   1.0   0.02   0.02) =   0.004%
          HN    MET   11 - HB    THR   46  29.08 +/- 5.96   0.243% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.38, support = 0.02, residual support = 0.02:
        T HB2   LEU   63 - HB2   HIS   22  17.36 +/- 4.67  16.936% * 28.3087% (0.14 10.00   0.02   0.02) =  39.822%  kept
          QG2   THR   77 - HB2   HIS   22  14.38 +/- 4.45  17.461% * 12.9434% (0.64  1.00   0.02   0.02) =  18.772%  kept
          HG2   LYS+  99 - HB2   HIS   22  22.54 +/- 4.22   9.538% * 11.7377% (0.58  1.00   0.02   0.02) =   9.299%  kept
          HB3   LEU   80 - HB2   HIS   22  15.91 +/- 9.71  27.144% *  4.0306% (0.20  1.00   0.02   0.02) =   9.087%  kept
          QB    ALA   88 - HB2   HIS   22  19.70 +/- 4.11   6.500% * 16.1643% (0.80  1.00   0.02   0.02) =   8.727%  kept
          HB2   LEU   31 - HB2   HIS   22  15.43 +/- 1.21  13.225% *  6.0667% (0.30  1.00   0.02   0.02) =   6.664%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.27 +/- 2.54   4.030% * 13.5016% (0.67  1.00   0.02   0.02) =   4.519%  kept
          HG2   LYS+ 111 - HB2   HIS   22  24.89 +/- 5.92   5.165% *  7.2470% (0.36  1.00   0.02   0.02) =   3.109%  kept
    Distance limit 4.03 A violated in 19 structures by 5.50 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.52, residual support = 17.1:
      O   HN    CYS   21 - HA    ALA   20   2.24 +/- 0.05  98.766% * 99.8294% (0.95  10.0   3.52  17.12) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  13.78 +/- 1.84   0.493% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  19.33 +/- 4.53   0.319% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  20.94 +/- 6.20   0.193% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.89 +/- 2.39   0.228% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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  13.86 +/- 8.29 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.28 A violated in 20 structures by 10.58 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.651, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22  11.96 +/- 9.47  41.085% * 18.5628% (0.57   0.02   0.02) =  38.724%  kept
          QG    GLN   32 - HA    HIS   22  15.36 +/- 1.36  17.453% * 27.4474% (0.85   0.02   0.02) =  24.324%  kept
          HB    VAL  107 - HA    HIS   22  19.78 +/- 3.21  12.385% * 26.5475% (0.82   0.02   0.02) =  16.695%  kept
          QE    LYS+ 112 - HA    HIS   22  19.24 +/- 5.11  15.981% * 13.7211% (0.42   0.02   0.02) =  11.134%  kept
          HB3   PHE   45 - HA    HIS   22  16.65 +/- 4.56  13.095% * 13.7211% (0.42   0.02   0.02) =   9.123%  kept
    Distance limit 3.39 A violated in 15 structures by 4.62 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.456, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22  10.92 +/- 6.02  22.473% * 28.4146% (0.26 10.00   0.02   0.02) =  57.266%  kept
          QD    LYS+ 102 - HA    HIS   22  21.39 +/- 4.97   9.683% *  9.8627% (0.91  1.00   0.02   0.02) =   8.565%  kept
          HB    VAL   83 - HA    HIS   22  15.97 +/- 8.49  11.319% *  8.1833% (0.76  1.00   0.02   0.02) =   8.307%  kept
          HB2   LEU  123 - HA    HIS   22  25.09 +/- 7.80  10.391% *  8.1833% (0.76  1.00   0.02   0.02) =   7.626%  kept
          QD    LYS+  65 - HA    HIS   22  15.77 +/- 5.02   8.703% *  7.4210% (0.69  1.00   0.02   0.02) =   5.792%  kept
          HB2   LYS+ 121 - HA    HIS   22  22.85 +/- 6.44   5.212% *  7.0200% (0.65  1.00   0.02   0.02) =   3.281%  kept
          HD2   LYS+  74 - HA    HIS   22  11.71 +/- 6.28  17.834% *  1.7898% (0.17  1.00   0.02   0.02) =   2.862%  kept
          QD    LYS+  38 - HA    HIS   22  20.63 +/- 2.42   2.252% *  9.4340% (0.87  1.00   0.02   0.02) =   1.905%  kept
          HG3   PRO   93 - HA    HIS   22  19.67 +/- 4.10   2.418% *  8.5362% (0.79  1.00   0.02   0.02) =   1.851%  kept
          HD2   LYS+ 111 - HA    HIS   22  25.03 +/- 5.69   2.227% *  5.3768% (0.50  1.00   0.02   0.02) =   1.074%  kept
          QD    LYS+ 106 - HA    HIS   22  18.64 +/- 3.50   5.734% *  1.5768% (0.15  1.00   0.02   0.02) =   0.811%  kept
          HB3   MET   92 - HA    HIS   22  20.75 +/- 3.87   1.753% *  4.2014% (0.39  1.00   0.02   0.02) =   0.661%  kept
    Distance limit 3.54 A violated in 18 structures by 3.49 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.37, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.54 +/- 0.54  82.279% * 67.5049% (0.39   0.02   0.02) =  90.606%  kept
          HN    LEU   40 - HA    HIS   22  18.83 +/- 2.25  17.721% * 32.4951% (0.19   0.02   0.02) =   9.394%  kept
    Distance limit 3.69 A violated in 20 structures by 6.77 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 4.42, residual support = 17.3:
      O   HN    VAL   24 - HA    THR   23   2.47 +/- 0.37 100.000% *100.0000% (0.64  10.0   4.42  17.26) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2379 (9.23, 4.81, 31.51 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.732, support = 4.51, residual support = 19.0:
          HN    THR   23 - QG2   THR   23   3.06 +/- 0.52  46.599% * 63.2614% (0.73   4.88  18.50) =  83.957%  kept
          HD2   HIS   22 - QG2   THR   23   4.82 +/- 1.18  16.063% * 34.9454% (0.76   2.56  21.63) =  15.987%  kept
          HN    LEU   67 - QG2   THR   39  10.34 +/- 2.16   3.881% *  0.0787% (0.22   0.02   0.02) =   0.009%
          HD1   TRP   49 - QB    ALA   91   8.12 +/- 3.30   7.709% *  0.0336% (0.09   0.02   0.02) =   0.007%
          HE3   TRP   27 - QG2   THR   23   8.22 +/- 0.91   3.084% *  0.0794% (0.22   0.02   1.13) =   0.007%
          HD21  ASN   35 - QG2   THR   39   9.19 +/- 1.74   9.027% *  0.0271% (0.08   0.02   0.02) =   0.007%
          HN    LEU   67 - QG2   THR   23  15.58 +/- 3.18   0.528% *  0.3537% (0.99   0.02   0.02) =   0.005%
          HD1   TRP   49 - QG2   THR   23  19.19 +/- 4.40   0.484% *  0.3200% (0.90   0.02   0.02) =   0.004%
          QE    PHE   95 - QG2   THR   23  15.20 +/- 2.41   0.465% *  0.2451% (0.69   0.02   0.02) =   0.003%
          QD    PHE   55 - QG2   THR   23  18.07 +/- 4.37   0.918% *  0.0992% (0.28   0.02   0.02) =   0.003%
          HD2   HIS   22 - QG2   THR   39  15.47 +/- 3.42   1.173% *  0.0607% (0.17   0.02   0.02) =   0.002%
          QE    PHE   95 - QB    ALA   91   9.27 +/- 0.85   2.291% *  0.0258% (0.07   0.02   0.02) =   0.002%
          HD21  ASN   35 - QG2   THR   23  16.46 +/- 1.44   0.396% *  0.1217% (0.34   0.02   0.02) =   0.001%
          HN    THR   23 - QG2   THR   39  14.81 +/- 2.15   0.727% *  0.0577% (0.16   0.02   0.02) =   0.001%
          HE3   TRP   27 - QG2   THR   39   9.87 +/- 1.51   2.147% *  0.0177% (0.05   0.02   0.02) =   0.001%
          QE    PHE   95 - QG2   THR   39  14.70 +/- 1.73   0.654% *  0.0546% (0.15   0.02   0.02) =   0.001%
          HN    THR   23 - QB    ALA   91  17.28 +/- 4.35   0.718% *  0.0272% (0.08   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   91  17.76 +/- 2.67   0.451% *  0.0372% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  22.75 +/- 2.35   0.174% *  0.0713% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  13.11 +/- 2.83   1.130% *  0.0104% (0.03   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  18.72 +/- 4.34   0.338% *  0.0287% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.38 +/- 2.23   0.280% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  15.81 +/- 3.25   0.639% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  24.77 +/- 3.13   0.124% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.342, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   3.12 +/- 0.73  95.274% * 91.4887% (0.34   1.83  10.80) =  99.868%  kept
          HG3   MET   96 - HA    VAL   83  12.25 +/- 3.63   3.144% *  2.9248% (1.00   0.02   1.08) =   0.105%  kept
          HG2   GLU-  36 - HA    VAL   83  24.35 +/- 5.16   0.341% *  2.7000% (0.92   0.02   0.02) =   0.011%
          HB3   ASP-  62 - HA    VAL   83  21.66 +/- 2.38   0.404% *  2.2353% (0.76   0.02   0.02) =   0.010%
          HG2   GLU-  29 - HA    VAL   83  20.92 +/- 8.08   0.836% *  0.6512% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.10 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   2.21 +/- 0.35  92.969% * 99.6258% (0.98 10.00   2.25  10.80) =  99.997%  kept
          HB2   ASP-  78 - HA    VAL   83  11.14 +/- 2.06   5.947% *  0.0283% (0.28  1.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HA    VAL   83  17.43 +/- 8.47   0.558% *  0.0912% (0.90  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    VAL   83  20.37 +/- 4.22   0.182% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  20.14 +/- 5.52   0.187% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  21.86 +/- 6.02   0.157% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 85.7:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.03  99.025% * 99.7575% (0.57  10.0   4.70  85.70) =  99.999%  kept
          HN    CYS   50 - HA    VAL   83  18.57 +/- 2.48   0.407% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  16.84 +/- 2.39   0.568% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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   2.86 +/- 0.17  96.118% * 97.0740% (0.95   2.25  10.80) =  99.974%  kept
          HN    GLN   30 - HA    VAL   83  17.76 +/- 7.70   1.221% *  0.8941% (0.98   0.02   0.02) =   0.012%
          HN    GLU-  29 - HA    VAL   83  18.25 +/- 8.14   1.162% *  0.5164% (0.57   0.02   0.02) =   0.006%
          HN    LYS+  99 - HA    VAL   83  17.12 +/- 4.49   0.807% *  0.4090% (0.45   0.02   0.02) =   0.004%
          HN    GLU-  14 - HA    VAL   83  27.25 +/- 6.22   0.446% *  0.6266% (0.69   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    VAL   83  23.53 +/- 4.08   0.247% *  0.4799% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.718, support = 4.26, residual support = 17.3:
          HD1   TRP   87 - HA    VAL   83   3.79 +/- 0.53  78.312% * 87.3737% (0.73   4.31  17.35) =  98.282%  kept
          HE3   TRP   87 - HA    VAL   83   7.78 +/- 0.56  10.809% * 10.6945% (0.28   1.38  17.35) =   1.660%  kept
          HN    TRP   27 - HA    VAL   83  16.34 +/- 8.15   3.324% *  0.5278% (0.95   0.02   0.44) =   0.025%
          HN    ALA   91 - HA    VAL   83  11.13 +/- 1.16   4.235% *  0.3609% (0.65   0.02   0.02) =   0.022%
          HN    THR   39 - HA    VAL   83  21.01 +/- 4.11   0.702% *  0.4264% (0.76   0.02   0.02) =   0.004%
          HN    ALA   61 - HA    VAL   83  20.10 +/- 2.37   0.636% *  0.3159% (0.57   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HA    VAL   83  18.03 +/- 5.10   1.384% *  0.1104% (0.20   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   83  22.55 +/- 5.48   0.598% *  0.1903% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.619, support = 1.54, residual support = 3.22:
          QD2   LEU   80 - HA    VAL   24   8.85 +/- 8.93  33.098% * 24.8368% (0.41   2.01   6.01) =  42.324%  kept
          QD1   LEU   63 - HA    VAL   24  12.69 +/- 5.12  17.470% * 35.1948% (0.80   1.46   1.19) =  31.656%  kept
          QD1   LEU   73 - HA    VAL   24   8.02 +/- 4.28  18.004% * 22.6114% (0.80   0.94   0.43) =  20.961%  kept
          QD1   LEU   80 - HA    VAL   24  10.09 +/- 8.71  12.134% *  5.1217% (0.22   0.76   6.01) =   3.200%  kept
          QD2   LEU   63 - HA    VAL   24  13.54 +/- 4.66   2.945% * 11.4708% (0.92   0.41   1.19) =   1.740%  kept
          QD1   LEU  104 - HA    VAL   24  14.89 +/- 5.28  14.459% *  0.1341% (0.22   0.02   0.02) =   0.100%
          QG2   VAL   41 - HA    VAL   24  11.07 +/- 2.53   0.997% *  0.2261% (0.38   0.02   0.02) =   0.012%
          QD2   LEU   98 - HA    VAL   24  12.02 +/- 2.59   0.647% *  0.1341% (0.22   0.02   0.02) =   0.004%
          QD2   LEU  115 - HA    VAL   24  17.34 +/- 4.31   0.246% *  0.2701% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.12 A violated in 2 structures by 0.61 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.8:
      O T HB    VAL   24 - HA    VAL   24   2.56 +/- 0.30  94.802% * 98.9275% (1.00  10.0 10.00   3.97  62.85) =  99.976%  kept
        T HB2   PRO   68 - HA    VAL   24  19.39 +/- 5.20   2.350% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.021%
          QB    GLN   32 - HA    VAL   24  10.23 +/- 0.56   1.754% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    VAL   24  19.68 +/- 4.01   0.472% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  22.14 +/- 4.99   0.400% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  23.52 +/- 4.40   0.222% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 26.6:
        T HB3   TRP   27 - HA    VAL   24   3.44 +/- 0.47  83.616% * 99.7179% (1.00 10.00   3.00  26.60) =  99.989%  kept
          HB3   PHE   60 - HA    VAL   24  17.21 +/- 4.63   8.476% *  0.0448% (0.45  1.00   0.02   0.02) =   0.005%
          HB2   PHE   97 - HA    VAL   24  17.35 +/- 4.24   3.364% *  0.0991% (0.99  1.00   0.02   0.02) =   0.004%
          QE    LYS+  99 - HA    VAL   24  16.44 +/- 3.89   2.331% *  0.0486% (0.49  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    VAL   24  17.30 +/- 3.14   1.047% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  17.31 +/- 3.07   1.167% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.04, residual support = 62.8:
      O   HN    VAL   24 - HA    VAL   24   2.73 +/- 0.06 100.000% *100.0000% (0.97  10.0   4.04  62.85) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.871, support = 5.74, residual support = 31.2:
      O   HN    GLU-  25 - HA    VAL   24   3.60 +/- 0.03  53.764% * 84.4870% (0.92  10.0   5.64  33.47) =  86.956%  kept
          HN    ASN   28 - HA    VAL   24   3.87 +/- 0.35  44.158% * 15.4264% (0.53   1.0   6.41  15.74) =  13.040%  kept
          HN    ASP-  44 - HA    VAL   24  12.81 +/- 2.65   2.078% *  0.0866% (0.95   1.0   0.02   0.02) =   0.003%
    Distance limit 3.77 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 = 3.02, residual support = 26.6:
          HN    TRP   27 - HA    VAL   24   3.07 +/- 0.19  93.000% * 94.6471% (0.45   3.03  26.60) =  99.926%  kept
          HD1   TRP   87 - HA    VAL   24  15.10 +/- 6.42   2.402% *  1.3830% (0.99   0.02   0.02) =   0.038%
          HN    LYS+ 102 - HA    VAL   24  18.77 +/- 4.15   1.050% *  0.9585% (0.69   0.02   0.02) =   0.011%
          HN    THR   39 - HA    VAL   24  16.37 +/- 1.27   0.657% *  1.3678% (0.98   0.02   0.02) =   0.010%
          HN    GLU-  36 - HA    VAL   24  16.11 +/- 0.62   0.667% *  1.2104% (0.87   0.02   0.02) =   0.009%
          HN    ALA   61 - HA    VAL   24  17.40 +/- 3.92   1.444% *  0.1888% (0.14   0.02   0.02) =   0.003%
          HN    ALA   91 - HA    VAL   24  18.82 +/- 4.76   0.780% *  0.2444% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.24, residual support = 62.8:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  81.473% * 98.9402% (0.98  10.0 10.00   3.24  62.85) =  99.988%  kept
        T QG1   VAL   24 - HB2   PRO   68  18.07 +/- 5.03   1.135% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.008%
          QB    ALA   20 - HB    VAL   24   8.31 +/- 2.42  14.357% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB    VAL   24  11.65 +/- 1.09   0.556% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.27 +/- 6.88   0.367% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  16.06 +/- 4.00   0.566% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  16.59 +/- 4.45   0.445% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.05 +/- 3.07   0.189% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.52 +/- 2.45   0.286% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  23.49 +/- 4.68   0.103% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.04 +/- 3.62   0.141% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.78 +/- 3.08   0.383% *  0.0081% (0.08   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.21, residual support = 62.6:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.02  78.086% * 97.8659% (1.00  10.0   3.22  62.85) =  99.656%  kept
          HG    LEU   63 - HB    VAL   24  17.15 +/- 6.34  13.746% *  1.8836% (0.98   1.0   0.39   1.19) =   0.338%  kept
          QG2   VAL   24 - HB2   PRO   68  17.32 +/- 5.48   6.015% *  0.0579% (0.59   1.0   0.02   0.02) =   0.005%
          HG    LEU   63 - HB2   PRO   68  10.30 +/- 2.64   1.445% *  0.0569% (0.58   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HB    VAL   24  23.25 +/- 4.65   0.116% *  0.0635% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  21.24 +/- 3.89   0.131% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.05 +/- 3.07   0.182% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.52 +/- 2.45   0.278% *  0.0129% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.716, support = 1.81, residual support = 4.26:
          QD2   LEU   80 - HB    VAL   24   9.19 +/- 8.57  32.235% * 41.5121% (0.80   2.01   6.01) =  67.035%  kept
          QD1   LEU   63 - HB    VAL   24  13.91 +/- 5.34  15.892% * 18.9471% (0.41   1.78   1.19) =  15.084%  kept
          QG1   VAL   83 - HB    VAL   24  10.74 +/- 7.04   7.211% * 25.4654% (0.87   1.14   0.14) =   9.199%  kept
          QD1   LEU   73 - HB    VAL   24   9.39 +/- 3.96  14.011% * 11.6860% (0.41   1.10   0.43) =   8.202%  kept
          QD1   LEU  104 - HB    VAL   24  16.39 +/- 5.16  13.283% *  0.4989% (0.97   0.02   0.02) =   0.332%  kept
          QD1   LEU   63 - HB2   PRO   68   9.20 +/- 2.88  10.325% *  0.1257% (0.24   0.02   0.02) =   0.065%
          QD1   LEU  104 - HB2   PRO   68  12.50 +/- 3.09   1.730% *  0.2951% (0.57   0.02   0.02) =   0.026%
          QD2   LEU  115 - HB    VAL   24  18.03 +/- 4.75   1.075% *  0.3951% (0.76   0.02   0.02) =   0.021%
          QD2   LEU  115 - HB2   PRO   68  15.41 +/- 1.96   0.776% *  0.2337% (0.45   0.02   0.02) =   0.009%
          QG2   ILE   89 - HB    VAL   24  13.64 +/- 4.02   1.281% *  0.1289% (0.25   0.02   0.02) =   0.008%
          QD1   LEU   73 - HB2   PRO   68  13.42 +/- 2.35   1.017% *  0.1257% (0.24   0.02   0.02) =   0.006%
          QG1   VAL   83 - HB2   PRO   68  17.97 +/- 2.96   0.387% *  0.2653% (0.51   0.02   0.02) =   0.005%
          QD2   LEU   80 - HB2   PRO   68  17.82 +/- 2.88   0.379% *  0.2449% (0.47   0.02   0.02) =   0.005%
          QG2   ILE   89 - HB2   PRO   68  18.53 +/- 2.61   0.397% *  0.0763% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.87, support = 4.02, residual support = 62.0:
      O T HA    VAL   24 - HB    VAL   24   2.56 +/- 0.30  73.805% * 89.0301% (0.90  10.0 10.00   3.97  62.85) =  96.653%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.95 +/- 0.11  22.029% * 10.2842% (0.10  10.0  1.00   5.47  36.35) =   3.332%  kept
        T HA    VAL   24 - HB2   PRO   68  19.39 +/- 5.20   1.724% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.013%
          HA    LYS+  38 - HB2   PRO   68  14.69 +/- 3.52   0.645% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  19.03 +/- 5.30   1.565% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  18.92 +/- 2.47   0.231% *  0.0890% (0.90   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 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 62.8:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.02  96.083% * 98.6521% (0.92  10.0 10.00   3.24  62.85) =  99.984%  kept
        T HB2   PRO   68 - QG1   VAL   24  18.07 +/- 5.03   1.320% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.015%
          QB    GLN   32 - QG1   VAL   24  10.11 +/- 0.63   0.920% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - QG1   VAL   24  18.51 +/- 3.60   0.264% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  15.57 +/- 3.95   0.520% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  19.72 +/- 4.93   0.326% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  19.13 +/- 5.13   0.352% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  20.22 +/- 4.01   0.216% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.386, support = 5.58, residual support = 30.7:
      O   HN    ASN   69 - HB2   PRO   68   3.65 +/- 0.72  40.969% * 43.6433% (0.20  10.0   5.84  30.77) =  52.386%  kept
          HN    GLU-  25 - HB    VAL   24   3.66 +/- 0.57  41.060% * 33.3908% (0.53   1.0   5.87  33.47) =  40.168%  kept
          HN    ASN   28 - HB    VAL   24   5.67 +/- 0.47  11.259% * 22.5118% (0.92   1.0   2.25  15.74) =   7.426%  kept
          HN    ASP-  44 - HB    VAL   24  13.96 +/- 2.88   2.865% *  0.1225% (0.57   1.0   0.02   0.02) =   0.010%
          HN    ASN   28 - HB2   PRO   68  18.84 +/- 5.15   1.431% *  0.1181% (0.55   1.0   0.02   0.02) =   0.005%
          HN    GLU-  25 - HB2   PRO   68  21.43 +/- 5.54   0.922% *  0.0673% (0.31   1.0   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB2   PRO   68  14.40 +/- 1.98   0.810% *  0.0724% (0.33   1.0   0.02   0.02) =   0.002%
          HN    ASN   69 - HB    VAL   24  19.40 +/- 4.71   0.683% *  0.0738% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.37, residual support = 62.8:
      O   HN    VAL   24 - HB    VAL   24   2.54 +/- 0.25  99.083% * 99.9409% (0.38  10.0   4.37  62.85) =  99.999%  kept
          HN    VAL   24 - HB2   PRO   68  20.92 +/- 5.17   0.917% *  0.0591% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.79, residual support = 62.8:
          HN    VAL   24 - QG1   VAL   24   2.00 +/- 0.15 100.000% *100.0000% (0.73   3.79  62.85) = 100.000%  kept
    Distance limit 3.24 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   2.94 +/- 0.36  86.057% * 88.7918% (0.41  10.0   6.14 127.45) =  98.154%  kept
          HN    ASN   28 - HB2   GLU-  25   5.73 +/- 0.18  13.041% * 11.0145% (0.98   1.0   1.04   3.81) =   1.845%  kept
          HN    ASP-  44 - HB2   GLU-  25  18.01 +/- 2.77   0.535% *  0.0968% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  20.86 +/- 3.74   0.367% *  0.0968% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.422, support = 5.79, residual support = 125.1:
      O   HN    GLU-  25 - HB3   GLU-  25   2.30 +/- 0.49  90.846% * 82.3960% (0.41  10.0   5.87 127.45) =  98.083%  kept
          HN    ASN   28 - HB3   GLU-  25   5.95 +/- 0.19   8.394% * 17.4243% (0.98   1.0   1.77   3.81) =   1.916%  kept
          HN    ASN   69 - HB3   GLU-  25  21.35 +/- 3.87   0.472% *  0.0899% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   GLU-  25  18.00 +/- 2.75   0.288% *  0.0899% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.22, residual support = 32.0:
          HN    THR   26 - HB3   GLU-  25   3.42 +/- 0.25  98.921% * 98.7359% (0.34   5.22  32.03) =  99.992%  kept
          HN    LEU   71 - HB3   GLU-  25  18.79 +/- 2.19   0.702% *  0.8478% (0.76   0.02   0.02) =   0.006%
          HN    GLU- 114 - HB3   GLU-  25  28.73 +/- 5.31   0.377% *  0.4163% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.89 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 = 2.92, residual support = 2.85:
          HN    SER   85 - HA    SER   82   3.55 +/- 0.21  76.388% * 86.5155% (0.26   2.96   2.88) =  98.667%  kept
          HN    LEU   80 - HA    SER   82   7.43 +/- 0.61  11.540% *  6.3067% (0.10   0.56   0.48) =   1.087%  kept
          HN    GLN   32 - HA    GLU-  25   9.31 +/- 0.61   4.483% *  2.2558% (1.00   0.02   0.02) =   0.151%  kept
          HN    SER   85 - HA    GLU-  25  19.84 +/- 8.03   1.068% *  1.8063% (0.80   0.02   0.02) =   0.029%
          HN    LEU   80 - HA    GLU-  25  16.51 +/- 8.03   2.707% *  0.6963% (0.31   0.02   0.02) =   0.028%
          HN    ALA   34 - HA    GLU-  25  12.41 +/- 0.57   1.865% *  0.9274% (0.41   0.02   0.02) =   0.026%
          HN    GLN   32 - HA    SER   82  21.50 +/- 7.94   0.803% *  0.7307% (0.32   0.02   0.02) =   0.009%
          HN    ALA   34 - HA    SER   82  22.63 +/- 6.08   0.470% *  0.3004% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    GLU-  25  26.20 +/- 4.04   0.267% *  0.3481% (0.15   0.02   0.02) =   0.001%
          HN    CYS   53 - HA    SER   82  22.23 +/- 3.28   0.410% *  0.1128% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.73 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 = 5.54, residual support = 112.3:
      O   HN    GLU-  25 - HA    GLU-  25   2.72 +/- 0.04  70.656% * 72.1347% (0.41  10.0   5.87 127.45) =  87.728%  kept
          HN    ASN   28 - HA    GLU-  25   3.83 +/- 0.18  25.846% * 27.5779% (0.98   1.0   3.21   3.81) =  12.269%  kept
          HN    ASN   28 - HA    SER   82  18.01 +/- 9.22   1.003% *  0.0557% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HA    GLU-  25  20.12 +/- 4.32   0.523% *  0.0787% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  16.90 +/- 2.66   0.389% *  0.0787% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    SER   82  18.18 +/- 9.77   1.055% *  0.0234% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.30 +/- 1.18   0.427% *  0.0255% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  24.89 +/- 2.24   0.102% *  0.0255% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.345, support = 3.88, residual support = 7.86:
          HN    ALA   84 - HA    SER   82   4.17 +/- 0.16  46.906% * 52.8486% (0.20   5.31  10.19) =  63.573%  kept
          HD21  ASN   28 - HA    GLU-  25   4.69 +/- 0.33  33.613% * 42.0802% (0.61   1.37   3.81) =  36.274%  kept
          HN    LEU   63 - HA    GLU-  25  20.54 +/- 4.72   1.166% *  1.0033% (0.99   0.02   0.02) =   0.030%
          HD21  ASN   28 - HA    SER   82  15.95 +/- 9.67   5.551% *  0.1989% (0.20   0.02   0.02) =   0.028%
          HE21  GLN   32 - HA    GLU-  25  10.76 +/- 1.85   4.451% *  0.2254% (0.22   0.02   0.02) =   0.026%
          HN    ALA   84 - HA    GLU-  25  18.36 +/- 7.85   1.420% *  0.6140% (0.61   0.02   0.02) =   0.022%
          HZ2   TRP   87 - HA    GLU-  25  17.40 +/- 6.73   1.526% *  0.4162% (0.41   0.02   0.02) =   0.016%
          HZ2   TRP   87 - HA    SER   82  10.47 +/- 0.76   3.215% *  0.1348% (0.13   0.02   0.02) =   0.011%
          HN    ILE   56 - HA    GLU-  25  25.94 +/- 4.42   0.298% *  0.9576% (0.95   0.02   0.02) =   0.007%
          HN    LYS+ 111 - HA    GLU-  25  27.93 +/- 3.64   0.195% *  0.6140% (0.61   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HA    SER   82  22.97 +/- 3.28   0.529% *  0.1989% (0.20   0.02   0.02) =   0.003%
          HN    LEU   63 - HA    SER   82  23.54 +/- 2.14   0.282% *  0.3250% (0.32   0.02   0.02) =   0.002%
          HN    ILE   56 - HA    SER   82  24.73 +/- 2.79   0.266% *  0.3102% (0.31   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    SER   82  24.44 +/- 8.84   0.584% *  0.0730% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.955, support = 1.12, residual support = 3.63:
          HB2   ASN   28 - HA    GLU-  25   3.64 +/- 0.61  60.176% * 79.8708% (0.99   1.14   3.81) =  95.281%  kept
          HB2   ASP-  86 - HA    SER   82   6.14 +/- 0.64  18.008% * 12.5779% (0.24   0.76   0.02) =   4.490%  kept
          QE    LYS+  33 - HA    GLU-  25  11.99 +/- 1.32   2.240% *  1.4132% (1.00   0.02   0.02) =   0.063%
          QE    LYS+  65 - HA    GLU-  25  19.25 +/- 4.64   1.393% *  1.3075% (0.92   0.02   0.02) =   0.036%
          HB2   ASP-  78 - HA    SER   82  11.08 +/- 1.85   5.342% *  0.2783% (0.20   0.02   0.02) =   0.029%
          HB2   ASP-  86 - HA    GLU-  25  18.57 +/- 7.73   1.416% *  1.0285% (0.73   0.02   0.02) =   0.029%
          HB2   ASN   28 - HA    SER   82  19.33 +/- 9.45   1.765% *  0.4548% (0.32   0.02   0.02) =   0.016%
          HB2   ASP-  78 - HA    GLU-  25  19.48 +/- 5.67   0.785% *  0.8591% (0.61   0.02   0.02) =   0.013%
          HB2   ASN   35 - HA    GLU-  25  15.33 +/- 1.20   1.064% *  0.5316% (0.38   0.02   0.02) =   0.011%
          HB2   ASP-  76 - HA    GLU-  25  16.67 +/- 6.34   1.964% *  0.2803% (0.20   0.02   0.02) =   0.011%
          HB2   ASN   69 - HA    GLU-  25  21.03 +/- 4.76   1.960% *  0.1917% (0.14   0.02   0.02) =   0.007%
          HB2   ASP-  76 - HA    SER   82  11.44 +/- 1.07   2.434% *  0.0908% (0.06   0.02   0.02) =   0.004%
          QE    LYS+  33 - HA    SER   82  22.75 +/- 5.75   0.458% *  0.4578% (0.32   0.02   0.02) =   0.004%
          QE    LYS+  65 - HA    SER   82  22.77 +/- 4.36   0.355% *  0.4235% (0.30   0.02   0.02) =   0.003%
          HB2   ASN   35 - HA    SER   82  25.06 +/- 6.17   0.395% *  0.1722% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  26.34 +/- 3.09   0.245% *  0.0621% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.319, support = 2.78, residual support = 10.1:
          QB    ALA   84 - HA    SER   82   4.41 +/- 0.18  46.785% * 79.0820% (0.32   2.80  10.19) =  99.158%  kept
          HB3   LEU   80 - HA    SER   82   6.53 +/- 0.99  17.961% *  0.2771% (0.16   0.02   0.48) =   0.133%  kept
          QB    ALA   84 - HA    GLU-  25  16.44 +/- 5.85   1.937% *  1.7417% (0.99   0.02   0.02) =   0.090%
          HB2   LEU   31 - HA    GLU-  25   9.38 +/- 0.70   5.364% *  0.5994% (0.34   0.02   0.02) =   0.086%
          HB3   LEU   80 - HA    GLU-  25  16.53 +/- 8.90   3.696% *  0.8554% (0.49   0.02   0.02) =   0.085%
          QB    ALA  124 - HA    GLU-  25  26.34 +/- 8.47   1.691% *  1.5243% (0.87   0.02   0.02) =   0.069%
          HB2   LEU   63 - HA    GLU-  25  19.83 +/- 5.18   2.060% *  1.0658% (0.61   0.02   0.02) =   0.059%
          HB3   LEU   73 - HA    GLU-  25  14.01 +/- 4.25   2.510% *  0.7224% (0.41   0.02   0.02) =   0.049%
          HG    LEU   98 - HA    GLU-  25  18.34 +/- 3.03   0.883% *  1.6623% (0.95   0.02   0.02) =   0.039%
          HG3   LYS+  33 - HA    GLU-  25  11.88 +/- 0.92   2.665% *  0.4886% (0.28   0.02   0.02) =   0.035%
          HB3   ASP-  44 - HA    GLU-  25  18.73 +/- 2.21   0.723% *  1.2760% (0.73   0.02   0.02) =   0.025%
          HB3   PRO   93 - HA    GLU-  25  22.69 +/- 2.05   0.383% *  1.7534% (1.00   0.02   0.02) =   0.018%
          HG3   LYS+ 106 - HA    GLU-  25  21.79 +/- 3.54   0.576% *  1.1368% (0.65   0.02   0.02) =   0.018%
          HG3   LYS+  65 - HA    GLU-  25  20.54 +/- 4.54   1.047% *  0.5994% (0.34   0.02   0.02) =   0.017%
          HG    LEU   98 - HA    SER   82  18.35 +/- 3.96   1.092% *  0.5385% (0.31   0.02   0.02) =   0.016%
          HB    VAL   42 - HA    GLU-  25  17.15 +/- 1.99   0.935% *  0.5994% (0.34   0.02   0.02) =   0.015%
          HB3   PRO   93 - HA    SER   82  17.68 +/- 2.00   0.864% *  0.5680% (0.32   0.02   0.02) =   0.013%
          HG3   LYS+ 102 - HA    GLU-  25  22.74 +/- 4.73   0.526% *  0.7878% (0.45   0.02   0.02) =   0.011%
          HB3   ASP-  44 - HA    SER   82  16.60 +/- 1.27   0.946% *  0.4134% (0.24   0.02   0.02) =   0.010%
          HB2   LEU   31 - HA    SER   82  19.64 +/- 7.79   1.634% *  0.1942% (0.11   0.02   0.02) =   0.009%
          HG3   LYS+ 106 - HA    SER   82  18.91 +/- 3.42   0.791% *  0.3682% (0.21   0.02   0.02) =   0.008%
          HB3   LEU   73 - HA    SER   82  16.91 +/- 2.59   1.041% *  0.2340% (0.13   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - HA    GLU-  25  27.57 +/- 4.46   0.259% *  0.9245% (0.53   0.02   0.02) =   0.006%
          HB    VAL   42 - HA    SER   82  19.48 +/- 2.65   0.769% *  0.1942% (0.11   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HA    SER   82  22.70 +/- 4.93   0.509% *  0.2552% (0.15   0.02   0.02) =   0.003%
          HB2   LEU   63 - HA    SER   82  23.14 +/- 2.56   0.376% *  0.3453% (0.20   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HA    GLU-  25  29.31 +/- 4.46   0.213% *  0.4886% (0.28   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HA    SER   82  23.48 +/- 6.52   0.575% *  0.1583% (0.09   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    SER   82  25.22 +/- 3.11   0.293% *  0.2995% (0.17   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    SER   82  30.01 +/- 3.19   0.169% *  0.4938% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    SER   82  24.35 +/- 3.96   0.374% *  0.1942% (0.11   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  24.56 +/- 3.46   0.353% *  0.1583% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.67 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.567, support = 0.02, residual support = 0.02:
          HB2   LEU  104 - HA    GLU-  25  21.09 +/- 5.22  12.887% * 19.8967% (0.80   0.02   0.02) =  26.357%  kept
          QG2   VAL  108 - HA    GLU-  25  21.07 +/- 2.60   7.919% * 22.9376% (0.92   0.02   0.02) =  18.673%  kept
          QG2   VAL  108 - HA    SER   82  15.78 +/- 3.18  21.427% *  7.4304% (0.30   0.02   0.02) =  16.366%  kept
          QD1   ILE  119 - HA    GLU-  25  20.45 +/- 5.41   8.756% * 12.0948% (0.49   0.02   0.02) =  10.887%  kept
          HG    LEU   63 - HA    GLU-  25  19.48 +/- 5.50  14.780% *  5.5320% (0.22   0.02   0.02) =   8.404%  kept
          HG3   LYS+ 112 - HA    GLU-  25  27.01 +/- 4.43   3.854% * 15.0711% (0.61   0.02   0.02) =   5.971%  kept
          HB2   LEU  104 - HA    SER   82  22.64 +/- 3.08   8.107% *  6.4453% (0.26   0.02   0.02) =   5.371%  kept
          HG3   LYS+ 112 - HA    SER   82  24.04 +/- 3.87   6.800% *  4.8821% (0.20   0.02   0.02) =   3.412%  kept
          QD1   ILE  119 - HA    SER   82  22.06 +/- 2.53   7.818% *  3.9180% (0.16   0.02   0.02) =   3.149%  kept
          HG    LEU   63 - HA    SER   82  23.20 +/- 3.17   7.651% *  1.7920% (0.07   0.02   0.02) =   1.409%  kept
    Distance limit 4.01 A violated in 20 structures by 7.71 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.282, support = 3.16, residual support = 22.5:
          HB2   GLU-  25 - HA    THR   26   4.16 +/- 0.32  27.132% * 78.8842% (0.31   4.07  32.03) =  69.479%  kept
          HB2   GLU-  29 - HA    THR   26   2.88 +/- 0.77  60.989% * 15.2972% (0.22   1.09   0.75) =  30.286%  kept
          QG    GLN   17 - HA    THR   26  12.22 +/- 3.92   9.060% *  0.5163% (0.41   0.02   0.02) =   0.152%  kept
          HB3   ASP-  76 - HA    THR   26  17.36 +/- 6.57   0.809% *  1.1263% (0.90   0.02   0.02) =   0.030%
          HG2   GLU- 100 - HA    THR   26  18.76 +/- 4.16   0.420% *  1.1880% (0.95   0.02   0.02) =   0.016%
          HB    VAL   70 - HA    THR   26  16.24 +/- 2.51   0.664% *  0.6113% (0.49   0.02   0.02) =   0.013%
          HB2   MET   96 - HA    THR   26  18.25 +/- 2.46   0.295% *  1.1263% (0.90   0.02   0.02) =   0.011%
          HB2   ASP- 105 - HA    THR   26  22.22 +/- 4.06   0.323% *  0.8627% (0.69   0.02   0.02) =   0.009%
          HG3   MET   92 - HA    THR   26  25.57 +/- 4.11   0.308% *  0.3876% (0.31   0.02   0.02) =   0.004%
    Distance limit 3.26 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.92, residual support = 34.6:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.03  98.994% * 99.6670% (0.34  10.0   4.92  34.59) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.26 +/- 2.21   0.853% *  0.2233% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HA    THR   26  27.62 +/- 4.21   0.153% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.56, support = 1.27, residual support = 3.72:
          HN    GLN   30 - HA    THR   26   4.42 +/- 0.52  29.013% * 80.9910% (0.69   1.47   4.85) =  72.422%  kept
          HN    GLU-  29 - HA    THR   26   3.29 +/- 0.18  64.737% * 13.6775% (0.22   0.76   0.75) =  27.290%  kept
          HN    GLU-  14 - HA    THR   26  14.42 +/- 4.81   4.420% *  1.5746% (0.98   0.02   0.02) =   0.214%  kept
          HE1   HIS  122 - HA    THR   26  22.80 +/- 5.57   0.705% *  1.4407% (0.90   0.02   0.02) =   0.031%
          HN    LYS+  99 - HA    THR   26  18.32 +/- 3.78   0.683% *  1.3418% (0.84   0.02   0.02) =   0.028%
          HN    ASP-  86 - HA    THR   26  21.34 +/- 7.31   0.443% *  0.9743% (0.61   0.02   0.02) =   0.013%
    Distance limit 3.85 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 = 0.454, support = 1.9, residual support = 11.2:
          HN    THR   23 - HB    THR   26   3.83 +/- 0.42  70.424% * 67.8238% (0.38   2.14  12.84) =  87.036%  kept
          HD2   HIS   22 - HB    THR   26   6.25 +/- 1.51  25.744% * 27.4660% (0.99   0.33   0.02) =  12.884%  kept
          HN    LEU   67 - HB    THR   26  17.29 +/- 3.26   1.243% *  1.2933% (0.76   0.02   0.02) =   0.029%
          HD21  ASN   35 - HB    THR   26  16.20 +/- 1.24   1.077% *  1.1624% (0.69   0.02   0.02) =   0.023%
          HD1   TRP   49 - HB    THR   26  24.04 +/- 5.56   0.598% *  1.6773% (0.99   0.02   0.02) =   0.018%
          QE    PHE   95 - HB    THR   26  18.07 +/- 2.46   0.912% *  0.5772% (0.34   0.02   0.02) =   0.010%
    Distance limit 3.75 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.46, residual support = 22.7:
          HN    TRP   27 - HB    THR   26   3.10 +/- 0.27  94.371% * 98.0885% (0.84   4.46  22.69) =  99.984%  kept
          HN    THR   39 - HB    THR   26  15.99 +/- 1.46   0.800% *  0.4719% (0.90   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB    THR   26  19.26 +/- 6.17   0.689% *  0.4564% (0.87   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB    THR   26  20.30 +/- 4.50   1.646% *  0.1624% (0.31   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB    THR   26  15.25 +/- 1.02   0.842% *  0.2561% (0.49   0.02   0.02) =   0.002%
          HN    ALA   61 - HB    THR   26  18.56 +/- 3.74   0.844% *  0.2163% (0.41   0.02   0.02) =   0.002%
          HN    ALA   91 - HB    THR   26  22.84 +/- 4.61   0.342% *  0.2561% (0.49   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    THR   26  20.45 +/- 4.64   0.467% *  0.0922% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 34.6:
      O   HN    THR   26 - HB    THR   26   2.26 +/- 0.24  99.488% * 99.9615% (0.80  10.0   4.16  34.59) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.17 +/- 2.38   0.512% *  0.0385% (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 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.609, support = 0.534, residual support = 0.98:
          HA    ALA   20 - QG2   THR   26   5.83 +/- 1.32  31.412% * 71.3319% (0.87   0.41   0.15) =  62.556%  kept
          HA    CYS   21 - QG2   THR   26   4.39 +/- 1.80  50.248% * 26.2586% (0.18   0.75   2.41) =  36.836%  kept
          HA    LYS+ 102 - QG2   THR   26  16.75 +/- 4.36   8.901% *  1.7926% (0.45   0.02   0.02) =   0.445%  kept
          HA    LEU   71 - QG2   THR   26  11.13 +/- 2.84   9.438% *  0.6169% (0.15   0.02   0.02) =   0.163%  kept
    Distance limit 3.51 A violated in 6 structures by 0.81 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.822, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.09 +/- 3.19  31.398% * 18.7520% (0.92   0.02   0.02) =  43.395%  kept
          HG2   MET   11 - QG2   THR   26  14.89 +/- 3.72  14.872% * 19.2160% (0.95   0.02   0.02) =  21.063%  kept
          HB2   PRO   93 - QG2   THR   26  17.68 +/- 2.56  11.195% * 12.3210% (0.61   0.02   0.02) =  10.166%  kept
          HG2   PRO   58 - QG2   THR   26  19.08 +/- 3.81   7.337% * 17.6208% (0.87   0.02   0.02) =   9.528%  kept
          HG3   PRO   52 - QG2   THR   26  21.80 +/- 3.52   4.990% * 17.6208% (0.87   0.02   0.02) =   6.481%  kept
          HB2   PRO   68 - QG2   THR   26  15.18 +/- 3.42  17.113% *  3.1343% (0.15   0.02   0.02) =   3.953%  kept
          HB2   ARG+  54 - QG2   THR   26  21.21 +/- 4.16   5.915% *  6.2698% (0.31   0.02   0.02) =   2.733%  kept
          HB    VAL  108 - QG2   THR   26  20.34 +/- 2.43   7.181% *  5.0653% (0.25   0.02   0.02) =   2.681%  kept
    Distance limit 3.50 A violated in 20 structures by 5.99 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   3.27 +/- 0.70  74.073% * 96.7925% (0.99 10.00   0.75   4.85) =  99.652%  kept
          HB3   ASN   28 - QG2   THR   26   7.18 +/- 0.44   7.947% *  2.9772% (0.97  1.00   0.24   0.40) =   0.329%  kept
          HB3   HIS  122 - QG2   THR   26  18.59 +/- 5.84  16.986% *  0.0724% (0.28  1.00   0.02   0.02) =   0.017%
          QE    LYS+ 121 - QG2   THR   26  18.14 +/- 4.93   0.993% *  0.1580% (0.61  1.00   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.878, support = 2.93, residual support = 8.68:
          QD1   LEU   73 - HB3   TRP   27   6.07 +/- 4.73  28.419% * 36.0148% (1.00   3.06  13.44) =  41.310%  kept
          QD2   LEU   80 - HB3   TRP   27   9.10 +/- 8.51  30.233% * 32.2711% (0.80   3.43   7.25) =  39.378%  kept
          QD1   LEU   63 - HB3   TRP   27  10.98 +/- 4.29  18.486% * 12.7801% (1.00   1.09   1.02) =   9.535%  kept
          QD1   LEU  104 - HB3   TRP   27  12.73 +/- 4.89  15.252% * 15.0116% (0.57   2.25   1.83) =   9.241%  kept
          QG1   VAL   83 - HB3   TRP   27  10.07 +/- 6.99   4.694% *  1.6895% (0.18   0.82   0.44) =   0.320%  kept
          QD2   LEU   63 - HB3   TRP   27  11.75 +/- 3.90   2.581% *  2.0364% (0.57   0.31   1.02) =   0.212%  kept
          QD2   LEU  115 - HB3   TRP   27  16.07 +/- 3.62   0.335% *  0.1965% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.60 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 = 26.6:
        T HA    VAL   24 - HB3   TRP   27   3.44 +/- 0.47  91.403% * 98.5200% (0.76 10.00   3.00  26.60) =  99.971%  kept
        T HA    LYS+  38 - HB3   TRP   27  14.57 +/- 1.67   1.653% *  1.2636% (0.98 10.00   0.02   0.02) =   0.023%
        T HA    GLU- 100 - HB3   TRP   27  15.71 +/- 3.35   1.971% *  0.1989% (0.15 10.00   0.02   0.02) =   0.004%
          HA    VAL   83 - HB3   TRP   27  14.32 +/- 7.88   4.973% *  0.0174% (0.14  1.00   0.02   0.44) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 26.6:
          HA    VAL   24 - HB2   TRP   27   2.10 +/- 0.29  98.237% * 99.1878% (0.97   3.00  26.60) =  99.996%  kept
          HA    LYS+  38 - HB2   TRP   27  15.36 +/- 1.59   0.316% *  0.5487% (0.80   0.02   0.02) =   0.002%
          HD2   PRO   68 - HB2   TRP   27  16.41 +/- 3.86   0.685% *  0.1709% (0.25   0.02   0.02) =   0.001%
          HA    ALA   61 - HB2   TRP   27  15.45 +/- 3.59   0.762% *  0.0927% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.29 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 = 0.925, support = 2.93, residual support = 7.69:
          QD2   LEU   80 - HB2   TRP   27   9.16 +/- 8.77  34.489% * 35.0274% (0.98   3.36   7.25) =  50.096%  kept
          QD1   LEU   73 - HB2   TRP   27   7.03 +/- 4.71  22.956% * 29.2039% (0.90   3.06  13.44) =  27.801%  kept
          QD1   LEU  104 - HB2   TRP   27  13.65 +/- 5.06  15.294% * 20.2822% (0.84   2.28   1.83) =  12.864%  kept
          QD1   LEU   63 - HB2   TRP   27  11.95 +/- 4.72  18.576% * 10.6685% (0.90   1.12   1.02) =   8.218%  kept
          QG1   VAL   83 - HB2   TRP   27  10.30 +/- 7.20   6.073% *  3.6805% (0.38   0.92   0.44) =   0.927%  kept
          QD2   LEU   63 - HB2   TRP   27  12.74 +/- 4.25   2.412% *  0.9270% (0.31   0.28   1.02) =   0.093%
          QD2   LEU  115 - HB2   TRP   27  16.97 +/- 3.94   0.199% *  0.2107% (0.99   0.02   0.02) =   0.002%
    Distance limit 3.78 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 = 3.12, residual support = 19.4:
          QD1   LEU   31 - HA    ASN   28   3.26 +/- 0.81 100.000% *100.0000% (0.76   3.12  19.42) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.21, residual support = 92.2:
      O T HA    GLU-  29 - HG3   GLU-  29   3.50 +/- 0.21  80.017% * 97.0747% (0.22  10.0 10.00   5.22  92.35) =  99.849%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.53 +/- 1.51   5.708% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.109%  kept
          HA1   GLY   16 - HG3   GLU-  29  16.28 +/- 4.58   5.131% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.020%
          HB2   SER   37 - HG3   GLU-  29  14.55 +/- 2.61   2.054% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.011%
          HA    VAL   18 - HG3   GLU-  29  13.54 +/- 3.03   4.355% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL   70 - HG3   GLU-  29  17.22 +/- 2.65   0.914% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN  116 - HG3   GLU-  29  27.24 +/- 5.85   0.466% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HG3   GLU-  29  21.23 +/-10.24   1.355% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 107.2:
      O   HD1   TRP   27 - HB2   TRP   27   2.71 +/- 0.11  87.236% * 99.7286% (0.98  10.0   3.65 107.20) =  99.986%  kept
          HE21  GLN   30 - HB2   TRP   27   7.30 +/- 2.13  11.276% *  0.0939% (0.92   1.0   0.02   0.02) =   0.012%
          QD    PHE   59 - HB2   TRP   27  16.85 +/- 4.10   1.184% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  22.61 +/- 4.08   0.304% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 5.4, residual support = 107.2:
      O   HN    TRP   27 - HB2   TRP   27   2.11 +/- 0.10  96.979% * 99.5184% (0.76  10.0   5.40 107.20) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  15.00 +/- 6.30   0.743% *  0.1202% (0.92   1.0   0.02   5.60) =   0.001%
          HN    THR   39 - HB2   TRP   27  14.60 +/- 1.01   0.308% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.30 +/- 4.21   0.566% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  16.81 +/- 3.61   0.517% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.41 +/- 0.47   0.311% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  19.14 +/- 4.40   0.217% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  16.37 +/- 4.72   0.358% *  0.0176% (0.14   1.0   0.02   5.60) =   0.000%
    Distance limit 3.31 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 = 0.911, support = 5.53, residual support = 49.9:
          HN    ASN   28 - HB2   TRP   27   3.00 +/- 0.33  76.904% * 93.7759% (0.92   5.59  50.65) =  98.443%  kept
          HN    GLU-  25 - HB2   TRP   27   4.82 +/- 0.34  19.334% *  5.8693% (0.15   2.09   0.49) =   1.549%  kept
          HN    ASN   69 - HB2   TRP   27  16.44 +/- 3.59   1.394% *  0.2911% (0.80   0.02   0.02) =   0.006%
          HN    ASP-  44 - HB2   TRP   27  12.04 +/- 2.75   2.368% *  0.0637% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.58 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 = 0.77, support = 4.44, residual support = 104.5:
      O   HE3   TRP   27 - HB3   TRP   27   2.63 +/- 0.21  80.376% * 86.6826% (0.76  10.0   4.50 107.20) =  97.411%  kept
          HN    THR   23 - HB3   TRP   27   5.50 +/- 1.02  14.258% * 12.9684% (0.98   1.0   2.33   1.13) =   2.585%  kept
          HD2   HIS   22 - HB3   TRP   27   8.69 +/- 1.55   3.493% *  0.0253% (0.22   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   TRP   27  14.63 +/- 2.14   0.586% *  0.1124% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  14.65 +/- 2.94   0.684% *  0.0779% (0.69   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB3   TRP   27  19.75 +/- 3.51   0.311% *  0.0947% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  20.76 +/- 4.61   0.292% *  0.0387% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 107.1:
      O   HD1   TRP   27 - HB3   TRP   27   3.78 +/- 0.11  63.112% * 99.7286% (0.98  10.0   4.08 107.20) =  99.945%  kept
          HE21  GLN   30 - HB3   TRP   27   6.29 +/- 2.23  33.656% *  0.0939% (0.92   1.0   0.02   0.02) =   0.050%
          QD    PHE   59 - HB3   TRP   27  15.77 +/- 3.81   2.723% *  0.0997% (0.98   1.0   0.02   0.02) =   0.004%
          HH2   TRP   49 - HB3   TRP   27  21.84 +/- 3.93   0.509% *  0.0778% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 107.2:
      O   HN    TRP   27 - HB3   TRP   27   3.04 +/- 0.26  87.719% * 99.5184% (0.76  10.0   5.64 107.20) =  99.991%  kept
          HD1   TRP   87 - HB3   TRP   27  14.59 +/- 6.10   1.850% *  0.1202% (0.92   1.0   0.02   5.60) =   0.003%
          HN    LYS+ 102 - HB3   TRP   27  16.43 +/- 4.24   3.580% *  0.0489% (0.38   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HB3   TRP   27  13.66 +/- 1.22   1.186% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB3   TRP   27  15.63 +/- 3.42   2.997% *  0.0444% (0.34   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB3   TRP   27  13.88 +/- 0.84   1.067% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   TRP   27  18.64 +/- 4.23   0.580% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  15.85 +/- 4.53   1.020% *  0.0176% (0.14   1.0   0.02   5.60) =   0.000%
    Distance limit 3.35 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 = 50.6:
          HN    ASN   28 - HB3   TRP   27   4.09 +/- 0.10  95.928% * 99.4973% (0.65   6.06  50.65) =  99.979%  kept
          HN    ASN   69 - HB3   TRP   27  15.24 +/- 3.25   4.072% *  0.5027% (0.99   0.02   0.02) =   0.021%
    Distance limit 3.82 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.222, support = 4.25, residual support = 19.4:
          HN    LEU   31 - HA    ASN   28   3.43 +/- 0.20  94.466% * 95.8733% (0.22   4.26  19.42) =  99.934%  kept
          HN    LYS+  38 - HA    ASN   28  12.43 +/- 1.15   2.170% *  1.9829% (0.98   0.02   0.02) =   0.047%
          HN    SER   37 - HA    ASN   28  12.15 +/- 0.69   2.177% *  0.3543% (0.18   0.02   0.02) =   0.009%
          HN    ASP-  62 - HA    ASN   28  19.31 +/- 3.36   0.884% *  0.5625% (0.28   0.02   0.02) =   0.005%
          HN    ARG+  54 - HA    ASN   28  25.48 +/- 3.39   0.303% *  1.2270% (0.61   0.02   0.02) =   0.004%
    Distance limit 4.10 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 = 0.198, support = 6.52, residual support = 16.9:
          HN    GLN   30 - HA    ASN   28   3.92 +/- 0.14  76.403% * 75.2075% (0.18   6.80  17.73) =  95.607%  kept
          HN    GLU-  14 - HA    ASN   28  16.11 +/- 5.53  11.513% * 22.2509% (0.73   0.49   0.02) =   4.262%  kept
          HN    LYS+  99 - HA    ASN   28  14.26 +/- 3.34   2.730% *  1.1654% (0.92   0.02   0.02) =   0.053%
          HE1   HIS  122 - HA    ASN   28  20.64 +/- 6.44   2.526% *  1.0951% (0.87   0.02   0.02) =   0.046%
          HN    ASN   35 - HA    ASN   28   9.14 +/- 0.75   6.829% *  0.2811% (0.22   0.02   0.02) =   0.032%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.98, residual support = 105.7:
      O   HN    ASN   28 - HB2   ASN   28   2.60 +/- 0.30  95.614% * 99.7686% (0.65  10.0   6.98 105.75) =  99.997%  kept
          HN    ASN   69 - HB2   ASN   28  18.56 +/- 4.21   0.844% *  0.1529% (0.99   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   ASN   35  16.17 +/- 3.75   2.382% *  0.0476% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASN   35  12.52 +/- 1.13   1.160% *  0.0310% (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 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.12, residual support = 105.7:
      O   HD22  ASN   28 - HB3   ASN   28   3.25 +/- 0.15  98.568% * 99.9746% (0.98  10.0   4.12 105.75) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  14.24 +/- 2.19   1.432% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.5, residual support = 105.7:
      O   HD21  ASN   28 - HB3   ASN   28   3.99 +/- 0.08  91.405% * 99.7595% (0.87  10.0   3.50 105.75) =  99.992%  kept
          HZ2   TRP   87 - HB3   ASN   28  15.84 +/- 7.39   5.134% *  0.1127% (0.98   1.0   0.02   0.02) =   0.006%
          QE    PHE   60 - HB3   ASN   28  18.56 +/- 3.15   1.621% *  0.0790% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   ASN   28  20.16 +/- 4.10   1.461% *  0.0287% (0.25   1.0   0.02   0.10) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.42 +/- 3.44   0.380% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.619, support = 5.19, residual support = 26.4:
          HN    GLU-  29 - HB3   ASN   28   3.46 +/- 0.21  60.666% * 34.0745% (0.45   5.78  32.93) =  62.817%  kept
          HN    GLN   30 - HB3   ASN   28   5.14 +/- 0.17  18.854% * 56.6100% (0.92   4.67  17.73) =  32.434%  kept
          HN    GLU-  14 - HB3   ASN   28  16.49 +/- 6.78  17.763% *  8.7688% (0.80   0.83   0.02) =   4.733%  kept
          HN    ASP-  86 - HB3   ASN   28  18.87 +/- 8.24   1.289% *  0.2280% (0.87   0.02   0.02) =   0.009%
          HN    LYS+  99 - HB3   ASN   28  16.29 +/- 3.44   0.864% *  0.1488% (0.57   0.02   0.02) =   0.004%
          HE1   HIS  122 - HB3   ASN   28  22.83 +/- 6.68   0.564% *  0.1700% (0.65   0.02   0.02) =   0.003%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.56, residual support = 105.7:
      O   HN    ASN   28 - HB3   ASN   28   3.46 +/- 0.30  86.196% * 99.8777% (0.92  10.0   6.56 105.75) =  99.995%  kept
          HN    ASN   69 - HB3   ASN   28  18.58 +/- 4.45   2.243% *  0.0866% (0.80   1.0   0.02   0.02) =   0.002%
          HN    GLU-  25 - HB3   ASN   28   7.11 +/- 0.62  10.344% *  0.0167% (0.15   1.0   0.02   3.81) =   0.002%
          HN    ASP-  44 - HB3   ASN   28  16.19 +/- 2.82   1.216% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.415, support = 4.21, residual support = 16.5:
          HN    GLN   30 - HB2   ASN   28   4.62 +/- 0.25  56.791% * 81.0315% (0.38   4.51  17.73) =  92.835%  kept
          HN    GLU-  14 - HB2   ASN   28  16.03 +/- 6.41  22.219% * 15.6849% (0.95   0.35   0.02) =   7.030%  kept
          HN    LYS+  99 - HB2   ASN   28  16.90 +/- 3.50   1.610% *  0.9547% (1.00   0.02   0.02) =   0.031%
          HN    LYS+  99 - HB2   ASN   35  12.34 +/- 2.91   4.939% *  0.2970% (0.31   0.02   0.02) =   0.030%
          HE1   HIS  122 - HB2   ASN   28  23.01 +/- 6.42   0.993% *  0.9547% (1.00   0.02   0.02) =   0.019%
          HE1   HIS  122 - HB2   ASN   35  21.20 +/- 6.29   2.444% *  0.2970% (0.31   0.02   0.02) =   0.015%
          HN    GLU-  14 - HB2   ASN   35  17.19 +/- 4.97   2.454% *  0.2815% (0.29   0.02   0.02) =   0.014%
          HN    GLN   30 - HB2   ASN   35  10.04 +/- 0.85   5.764% *  0.1117% (0.12   0.02   0.02) =   0.013%
          HN    ASP-  86 - HB2   ASN   28  19.18 +/- 7.88   1.983% *  0.2953% (0.31   0.02   0.02) =   0.012%
          HN    ASP-  86 - HB2   ASN   35  23.56 +/- 5.51   0.804% *  0.0919% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 1.13 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.87, residual support = 105.7:
      O   HD21  ASN   28 - HB2   ASN   28   4.00 +/- 0.07  87.845% * 99.5979% (0.61  10.0   3.87 105.75) =  99.988%  kept
          HZ2   TRP   87 - HB2   ASN   28  16.21 +/- 7.06   3.931% *  0.1315% (0.80   1.0   0.02   0.02) =   0.006%
          QE    PHE   60 - HB2   ASN   28  18.35 +/- 3.14   1.949% *  0.1516% (0.92   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HB2   ASN   35  13.39 +/- 1.61   3.014% *  0.0310% (0.19   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB2   ASN   35  18.41 +/- 6.12   2.179% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   35  20.10 +/- 3.01   1.082% *  0.0472% (0.29   1.0   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.488, support = 6.36, residual support = 26.3:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.03  61.511% * 95.7955% (0.49  10.0   6.40  26.45) =  99.387%  kept
          HN    GLU-  14 - HA    GLU-  29  14.77 +/- 5.41  10.774% *  2.7877% (0.99   1.0   0.29   0.02) =   0.507%  kept
          HN    GLN   30 - HA    GLN   32   6.68 +/- 0.20   8.950% *  0.5953% (0.11   1.0   0.55   1.75) =   0.090%
          HN    LYS+  99 - HA    GLU-  29  16.19 +/- 3.41   0.926% *  0.1899% (0.96   1.0   0.02   0.02) =   0.003%
          HN    GLN   30 - HA    LYS+  33   7.51 +/- 0.62   6.676% *  0.0263% (0.13   1.0   0.02   0.30) =   0.003%
          HE1   HIS  122 - HA    GLU-  29  22.67 +/- 6.16   0.642% *  0.1951% (0.99   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    GLN   32  16.33 +/- 5.24   2.267% *  0.0437% (0.22   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    LYS+  33  21.59 +/- 6.08   1.752% *  0.0535% (0.27   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  13.24 +/- 3.21   1.952% *  0.0425% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  14.11 +/- 2.67   1.338% *  0.0521% (0.26   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    LYS+  33  15.25 +/- 3.70   1.046% *  0.0535% (0.27   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  21.76 +/- 7.19   0.515% *  0.0809% (0.41   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  21.54 +/- 6.37   0.831% *  0.0437% (0.22   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  21.84 +/- 6.66   0.534% *  0.0181% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  24.00 +/- 5.46   0.286% *  0.0222% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.522, support = 5.68, residual support = 77.1:
      O   HN    GLU-  29 - HB2   GLU-  29   2.40 +/- 0.29  67.223% * 57.5001% (0.41  10.0   5.43  92.35) =  76.928%  kept
          HN    GLN   30 - HB2   GLU-  29   3.30 +/- 0.38  28.092% * 41.1122% (0.90   1.0   6.56  26.45) =  22.985%  kept
          HN    GLU-  14 - HB2   GLU-  29  14.29 +/- 4.80   3.909% *  1.0899% (0.84   1.0   0.19   0.02) =   0.085%
          HE1   HIS  122 - HB2   GLU-  29  22.70 +/- 5.91   0.358% *  0.0961% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  29  17.36 +/- 3.66   0.260% *  0.0848% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  21.95 +/- 7.25   0.157% *  0.1168% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.548, support = 5.01, residual support = 73.7:
      O   HN    GLU-  29 - HB3   GLU-  29   3.39 +/- 0.40  50.679% * 62.5876% (0.41  10.0   4.95  92.35) =  71.802%  kept
          HN    GLN   30 - HB3   GLU-  29   3.86 +/- 0.25  34.819% * 35.5321% (0.90   1.0   5.20  26.45) =  28.006%  kept
          HN    GLU-  14 - HB3   GLU-  29  14.00 +/- 4.82   5.977% *  1.3547% (0.84   1.0   0.21   0.02) =   0.183%  kept
          HN    GLN   30 - QB    GLU-  36   9.92 +/- 1.10   2.362% *  0.0423% (0.28   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLU-  29  17.42 +/- 3.54   0.598% *  0.0923% (0.61   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    GLU-  36  14.95 +/- 3.90   1.107% *  0.0394% (0.26   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  29  23.08 +/- 5.79   0.416% *  0.1046% (0.69   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  29  22.95 +/- 6.97   0.312% *  0.1272% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  11.10 +/- 1.30   1.703% *  0.0194% (0.13   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - QB    GLU-  36  13.44 +/- 2.10   1.061% *  0.0286% (0.19   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  20.49 +/- 5.53   0.743% *  0.0324% (0.21   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - QB    GLU-  36  23.25 +/- 4.11   0.223% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.934, support = 4.4, residual support = 92.0:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.79 +/- 0.20  38.422% * 95.1378% (0.99  10.0 10.00   4.41  92.35) =  93.945%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.40 +/- 0.14  58.427% *  4.0244% (0.04  10.0 10.00   4.28  86.29) =   6.043%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.56 +/- 2.10   0.977% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   GLU-  36 - HB3   GLU-  29  11.09 +/- 2.49   0.945% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HB3   GLU-  29  21.67 +/- 7.19   0.165% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  22.21 +/- 3.69   0.131% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  22.31 +/- 3.23   0.089% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  21.52 +/- 4.73   0.131% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  25.01 +/- 3.55   0.065% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  19.93 +/- 2.77   0.125% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  21.88 +/- 2.08   0.088% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.60 +/- 2.15   0.078% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  18.30 +/- 1.75   0.150% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.82 +/- 1.30   0.072% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  24.84 +/- 2.75   0.059% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.41 +/- 1.56   0.077% *  0.0059% (0.06   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 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 0.299, residual support = 0.298:
          QD    LYS+  33 - HA    GLN   30   3.64 +/- 0.66  92.097% * 82.1916% (0.95   0.30   0.30) =  99.557%  kept
          HB3   LEU  123 - HA    GLN   30  25.12 +/- 7.86   4.160% *  5.4776% (0.95   0.02   0.02) =   0.300%  kept
          QB    ALA   57 - HA    GLN   30  19.29 +/- 3.36   1.296% *  3.9776% (0.69   0.02   0.02) =   0.068%
          HD2   LYS+  74 - HA    GLN   30  15.83 +/- 3.27   1.793% *  2.1732% (0.38   0.02   0.02) =   0.051%
          HD3   LYS+ 111 - HA    GLN   30  29.12 +/- 3.41   0.250% *  4.2048% (0.73   0.02   0.02) =   0.014%
          HG3   ARG+  54 - HA    GLN   30  27.23 +/- 4.85   0.404% *  1.9752% (0.34   0.02   0.02) =   0.010%
    Distance limit 3.84 A violated in 0 structures by 0.15 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.485, support = 0.02, residual support = 0.24:
          QD2   LEU  123 - HA    GLN   30  20.27 +/- 6.42  11.545% * 48.0646% (0.90   0.02   0.02) =  34.642%  kept
          HB3   LEU  104 - HA    GLN   30  16.90 +/- 4.62  17.810% * 22.0331% (0.41   0.02   0.92) =  24.498%  kept
          QD1   LEU   71 - HA    GLN   30   9.59 +/- 2.49  46.056% *  8.2693% (0.15   0.02   0.02) =  23.776%  kept
          HG3   LYS+ 121 - HA    GLN   30  21.97 +/- 7.09  13.797% * 13.3638% (0.25   0.02   0.02) =  11.511%  kept
          QD1   LEU  123 - HA    GLN   30  19.33 +/- 5.95  10.792% *  8.2693% (0.15   0.02   0.02) =   5.572%  kept
    Distance limit 4.05 A violated in 17 structures by 4.24 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 = 157.0:
      O   HN    GLN   30 - HA    GLN   30   2.82 +/- 0.02  82.620% * 88.2944% (0.98  10.0   6.41 159.82) =  97.882%  kept
          HN    GLU-  29 - HA    GLN   30   5.14 +/- 0.13  13.741% * 11.4707% (0.57   1.0   4.50  26.45) =   2.115%  kept
          HN    GLU-  14 - HA    GLN   30  13.54 +/- 3.30   1.279% *  0.0619% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLN   30  13.83 +/- 3.47   1.270% *  0.0404% (0.45   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   30  19.54 +/- 5.39   0.754% *  0.0474% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  21.27 +/- 6.24   0.336% *  0.0852% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 6.36, residual support = 157.6:
      O   HN    GLN   30 - HB2   GLN   30   2.77 +/- 0.66  80.940% * 89.5897% (0.98  10.0   6.40 159.82) =  98.350%  kept
          HN    GLU-  29 - HB2   GLN   30   5.28 +/- 0.81  11.927% * 10.1719% (0.57   1.0   3.93  26.45) =   1.645%  kept
          HN    LYS+  99 - HB2   GLN   30  12.83 +/- 3.75   4.088% *  0.0410% (0.45   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLN   30  18.32 +/- 5.37   1.443% *  0.0481% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   GLN   30  14.12 +/- 3.11   1.026% *  0.0628% (0.69   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   GLN   30  19.04 +/- 6.13   0.576% *  0.0865% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 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 = 0.642, support = 6.94, residual support = 158.5:
      O   HN    GLN   30 - HB3   GLN   30   2.79 +/- 0.57  80.717% * 93.1644% (0.65  10.0   6.96 159.82) =  98.981%  kept
          HN    GLU-  29 - HB3   GLN   30   5.32 +/- 0.64  12.039% *  6.3534% (0.20   1.0   4.46  26.45) =   1.007%  kept
          HN    LYS+  99 - HB3   GLN   30  12.71 +/- 3.54   3.339% *  0.1249% (0.87   1.0   0.02   0.02) =   0.005%
          HE1   HIS  122 - HB3   GLN   30  18.18 +/- 5.32   2.028% *  0.1329% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  14 - HB3   GLN   30  14.41 +/- 2.77   1.294% *  0.1427% (0.99   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HB3   GLN   30  18.97 +/- 6.32   0.583% *  0.0815% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.627, support = 7.27, residual support = 153.9:
          HN    GLN   30 - HG2   GLN   30   3.26 +/- 0.55  76.976% * 82.3954% (0.65   7.39 159.82) =  95.553%  kept
          HN    GLU-  29 - HG2   GLN   30   5.33 +/- 0.76  17.849% * 16.4506% (0.20   4.82  26.45) =   4.424%  kept
          HN    GLU-  14 - HG2   GLN   30  13.34 +/- 3.15   1.734% *  0.3416% (0.99   0.02   0.02) =   0.009%
          HN    LYS+  99 - HG2   GLN   30  14.55 +/- 3.83   1.835% *  0.2990% (0.87   0.02   0.02) =   0.008%
          HE1   HIS  122 - HG2   GLN   30  18.86 +/- 5.28   0.804% *  0.3182% (0.92   0.02   0.02) =   0.004%
          HN    ASP-  86 - HG2   GLN   30  20.56 +/- 6.40   0.802% *  0.1952% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.45 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.07, residual support = 158.9:
      O   HE21  GLN   30 - HG2   GLN   30   3.89 +/- 0.20  85.424% * 95.8553% (0.87  10.0   4.09 159.82) =  99.418%  kept
          HD1   TRP   27 - HG2   GLN   30   7.78 +/- 0.84  12.045% *  3.9586% (1.00   1.0   0.72   0.02) =   0.579%  kept
          QD    PHE   59 - HG2   GLN   30  17.18 +/- 3.15   1.908% *  0.1103% (1.00   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HG2   GLN   30  24.86 +/- 4.56   0.623% *  0.0759% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.19, residual support = 159.5:
      O   HE21  GLN   30 - HG3   GLN   30   3.92 +/- 0.34  55.569% * 98.5059% (0.87  10.0   3.20 159.82) =  99.816%  kept
          HD1   TRP   27 - HG3   GLN   30   8.16 +/- 0.91   7.980% *  1.1904% (1.00   1.0   0.21   0.02) =   0.173%  kept
          QD    PHE   59 - HG3   GLN   30  16.82 +/- 2.97   1.287% *  0.1133% (1.00   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HB2   LYS+ 111   9.45 +/- 1.33   5.222% *  0.0228% (0.20   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HB2   LYS+ 111  12.53 +/- 4.51   5.743% *  0.0157% (0.14   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HB2   PRO   93  10.10 +/- 3.76  13.392% *  0.0061% (0.05   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   PRO   93   9.49 +/- 2.32   8.453% *  0.0088% (0.08   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG3   GLN   30  24.67 +/- 4.63   0.381% *  0.0780% (0.69   1.0   0.02   0.02) =   0.001%
          HD1   TRP   27 - HB2   PRO   93  18.31 +/- 2.43   0.728% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.73 +/- 3.88   0.313% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.85 +/- 3.61   0.264% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  19.31 +/- 2.53   0.668% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.626, support = 6.5, residual support = 153.8:
          HN    GLN   30 - HG3   GLN   30   3.83 +/- 0.68  67.990% * 82.6834% (0.65   6.62 159.82) =  95.478%  kept
          HN    GLU-  29 - HG3   GLN   30   6.10 +/- 0.83  16.907% * 15.5721% (0.20   4.08  26.45) =   4.472%  kept
          HN    LYS+  99 - HG3   GLN   30  13.96 +/- 3.81   3.191% *  0.3350% (0.87   0.02   0.02) =   0.018%
          HN    GLU-  14 - HG3   GLN   30  13.74 +/- 3.12   2.464% *  0.3828% (0.99   0.02   0.02) =   0.016%
          HE1   HIS  122 - HG3   GLN   30  18.33 +/- 5.22   1.373% *  0.3565% (0.92   0.02   0.02) =   0.008%
          HN    ASP-  86 - HG3   GLN   30  20.38 +/- 6.63   1.120% *  0.2186% (0.57   0.02   0.02) =   0.004%
          HE1   HIS  122 - HB2   LYS+ 111  18.25 +/- 2.49   0.832% *  0.0717% (0.19   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  16.88 +/- 3.04   1.110% *  0.0278% (0.07   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  22.42 +/- 2.20   0.418% *  0.0673% (0.17   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  14.97 +/- 1.71   1.511% *  0.0170% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  22.12 +/- 2.37   0.453% *  0.0439% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.15 +/- 1.90   0.748% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  30.90 +/- 4.62   0.177% *  0.0769% (0.20   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.25 +/- 3.21   0.231% *  0.0502% (0.13   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.27 +/- 2.53   0.520% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.27 +/- 3.48   0.324% *  0.0298% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.67 +/- 3.57   0.201% *  0.0154% (0.04   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.54 +/- 2.44   0.431% *  0.0060% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.214, support = 5.09, residual support = 43.4:
          HG    LEU   31 - HB3   GLN   30   4.24 +/- 0.94  43.994% * 61.4637% (0.15  1.00   6.14  52.86) =  81.293%  kept
          QD2   LEU   73 - HB3   GLN   30   7.15 +/- 4.07  30.176% * 12.1259% (0.25  1.00   0.75   4.06) =  11.001%  kept
          HG3   LYS+ 121 - HB3   GLN   30  20.52 +/- 7.13  12.653% * 10.0321% (0.98  1.00   0.16   0.02) =   3.816%  kept
          QD2   LEU  123 - HB3   GLN   30  19.23 +/- 6.06  12.306% * 10.0661% (0.61  1.00   0.26   0.02) =   3.724%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.40 +/- 2.64   0.871% *  6.3122% (0.49 10.00   0.02   0.02) =   0.165%  kept
    Distance limit 3.71 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.871, support = 1.92, residual support = 3.43:
          QD1   LEU   73 - HB3   GLN   30   7.02 +/- 4.97  37.211% * 66.6117% (0.87   2.22   4.06) =  81.256%  kept
          QD1   LEU  104 - HB3   GLN   30  11.46 +/- 3.96  19.920% * 22.2165% (0.87   0.74   0.92) =  14.508%  kept
          QD2   LEU   80 - HB3   GLN   30  12.35 +/- 7.46  12.392% *  9.4021% (0.99   0.27   0.02) =   3.819%  kept
          QD1   LEU   63 - HB3   GLN   30  11.76 +/- 3.00  12.722% *  0.6009% (0.87   0.02   0.02) =   0.251%  kept
          QG1   VAL   83 - HB3   GLN   30  12.39 +/- 6.44   8.480% *  0.2848% (0.41   0.02   0.02) =   0.079%
          QD2   LEU   63 - HB3   GLN   30  12.07 +/- 3.12   7.532% *  0.1926% (0.28   0.02   0.02) =   0.048%
          QD2   LEU  115 - HB3   GLN   30  17.32 +/- 2.88   1.745% *  0.6913% (1.00   0.02   0.02) =   0.040%
    Distance limit 3.79 A violated in 4 structures by 0.82 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.753, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  19.27 +/- 5.97  28.730% * 54.6388% (0.97   0.02   0.02) =  51.870%  kept
          HG3   LYS+ 121 - HB2   GLN   30  20.67 +/- 7.13  29.904% * 36.6255% (0.65   0.02   0.02) =  36.190%  kept
          QD1   ILE   56 - HB2   GLN   30  17.33 +/- 2.60  41.366% *  8.7356% (0.15   0.02   0.02) =  11.940%  kept
    Distance limit 3.55 A violated in 18 structures by 10.36 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.869, support = 2.15, residual support = 3.56:
          QD1   LEU   73 - HB2   GLN   30   7.00 +/- 5.15  38.698% * 72.5020% (0.87   2.43   4.06) =  85.129%  kept
          QD1   LEU  104 - HB2   GLN   30  11.48 +/- 4.09  21.109% * 19.0935% (0.87   0.64   0.92) =  12.229%  kept
          QD2   LEU   80 - HB2   GLN   30  12.34 +/- 7.17  11.223% *  6.6465% (0.99   0.19   0.02) =   2.263%  kept
          QD1   LEU   63 - HB2   GLN   30  11.58 +/- 3.11  13.926% *  0.5970% (0.87   0.02   0.02) =   0.252%  kept
          QG1   VAL   83 - HB2   GLN   30  12.40 +/- 6.24   6.619% *  0.2829% (0.41   0.02   0.02) =   0.057%
          QD2   LEU   63 - HB2   GLN   30  11.90 +/- 3.11   7.064% *  0.1914% (0.28   0.02   0.02) =   0.041%
          QD2   LEU  115 - HB2   GLN   30  17.34 +/- 2.84   1.360% *  0.6867% (1.00   0.02   0.02) =   0.028%
    Distance limit 3.79 A violated in 3 structures by 0.64 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 5.02, residual support = 159.8:
      O T HA    GLN   30 - HG3   GLN   30   3.00 +/- 0.61  60.769% * 98.6729% (0.65  10.0 10.00   5.02 159.82) =  99.966%  kept
          HB    THR   39 - HG3   GLN   30  10.48 +/- 3.34   7.834% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.015%
        T HD3   PRO   52 - HB2   PRO   93  11.13 +/- 4.13   3.820% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          HB3   SER   37 - HG3   GLN   30  10.22 +/- 2.11   2.615% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QB    SER   13 - HG3   GLN   30  13.48 +/- 3.05   1.327% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HG3   GLN   30  20.12 +/- 8.43   0.838% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   52 - HB2   LYS+ 111  14.23 +/- 4.18   2.054% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HG3   GLN   30  21.57 +/- 4.14   0.338% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   8.56 +/- 3.33   9.899% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.67 +/- 2.95   0.109% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.67 +/- 1.76   2.539% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  19.69 +/- 3.88   0.499% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  22.05 +/- 2.68   0.231% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  10.03 +/- 1.02   2.352% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  25.99 +/- 4.05   0.149% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  13.06 +/- 3.08   1.289% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.01 +/- 2.07   0.519% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.26 +/- 3.44   0.252% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  17.61 +/- 2.11   0.388% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  25.33 +/- 3.94   0.127% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  12.60 +/- 1.68   1.222% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  27.43 +/- 2.77   0.113% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  28.45 +/- 4.61   0.092% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.05 +/- 2.33   0.215% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  24.28 +/- 3.36   0.194% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  30.30 +/- 2.56   0.076% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.96 +/- 1.63   0.142% *  0.0072% (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 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.99, residual support = 23.8:
          HZ2   TRP   27 - QD1   LEU   31   2.67 +/- 0.52  93.775% * 99.8216% (0.87   1.99  23.75) =  99.988%  kept
          HZ    PHE   72 - QD1   LEU   31  10.65 +/- 2.53   6.225% *  0.1784% (0.15   0.02   0.02) =   0.012%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 0.837, residual support = 13.2:
          HD21  ASN   28 - QD1   LEU   31   4.75 +/- 0.95  47.090% * 57.0412% (0.92   0.89  19.42) =  64.946%  kept
          HZ2   TRP   87 - QD1   LEU   31   9.62 +/- 6.39  36.071% * 39.9413% (0.76   0.75   1.70) =  34.835%  kept
          HN    LEU   63 - QD1   LEU   31  13.66 +/- 3.12   4.254% *  1.0651% (0.76   0.02   0.02) =   0.110%  kept
          QE    PHE   60 - QD1   LEU   31  12.73 +/- 2.79   6.850% *  0.2758% (0.20   0.02   0.02) =   0.046%
          HN    ALA   84 - QD1   LEU   31  13.41 +/- 5.38   4.231% *  0.3875% (0.28   0.02   0.02) =   0.040%
          HN    ILE   56 - QD1   LEU   31  19.15 +/- 2.71   0.836% *  0.9016% (0.65   0.02   0.02) =   0.018%
          HN    LYS+ 111 - QD1   LEU   31  19.63 +/- 2.57   0.667% *  0.3875% (0.28   0.02   0.02) =   0.006%
    Distance limit 3.92 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.741, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  14.41 +/- 5.23  37.793% * 52.6698% (0.97   0.02   0.02) =  60.842%  kept
          HN    ASP- 105 - QD1   LEU   31  11.66 +/- 2.93  50.019% * 18.6164% (0.34   0.02   0.02) =  28.461%  kept
          HN    PHE   55 - QD1   LEU   31  20.31 +/- 2.87  12.188% * 28.7138% (0.53   0.02   0.02) =  10.697%  kept
    Distance limit 4.31 A violated in 20 structures by 6.01 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 = 231.7:
          HN    LEU   31 - HG    LEU   31   2.37 +/- 0.57  95.720% * 99.1444% (0.67   7.73 231.74) =  99.990%  kept
          HN    LYS+  38 - HG    LEU   31  10.26 +/- 1.29   3.089% *  0.1988% (0.52   0.02   0.02) =   0.006%
          HN    ASP-  62 - HG    LEU   31  17.66 +/- 3.35   0.849% *  0.2756% (0.72   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG    LEU   31  24.45 +/- 3.41   0.166% *  0.3046% (0.79   0.02   0.02) =   0.001%
          HN    PHE   55 - HG    LEU   31  24.47 +/- 3.39   0.176% *  0.0766% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.16, residual support = 231.7:
      O   HN    LEU   31 - HB3   LEU   31   3.49 +/- 0.10  90.716% * 99.3670% (0.34  10.0   7.16 231.74) =  99.972%  kept
          HN    LYS+  38 - HB3   LEU   31   8.79 +/- 1.37   8.204% *  0.2907% (1.00   1.0   0.02   0.02) =   0.026%
          HN    ASP-  62 - HB3   LEU   31  18.54 +/- 2.72   0.811% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB3   LEU   31  25.61 +/- 2.83   0.268% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.55 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 = 0.776, support = 5.29, residual support = 38.9:
          HN    GLN   32 - HB3   LEU   31   3.95 +/- 0.23  63.842% * 72.2904% (0.76   5.93  44.33) =  83.540%  kept
          HN    ALA   34 - HB3   LEU   31   5.01 +/- 0.41  33.410% * 27.2025% (0.84   2.04  11.55) =  16.451%  kept
          HN    LEU   80 - HB3   LEU   31  17.83 +/- 5.03   1.256% *  0.2319% (0.73   0.02   0.02) =   0.005%
          HN    SER   85 - HB3   LEU   31  19.37 +/- 6.22   1.192% *  0.1198% (0.38   0.02   0.02) =   0.003%
          HN    CYS   53 - HB3   LEU   31  25.18 +/- 2.84   0.301% *  0.1554% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.731, support = 2.47, residual support = 19.1:
        T HA    ASN   28 - HB2   LEU   31   3.66 +/- 0.57  67.384% * 78.5090% (0.73 10.00   2.55  19.42) =  96.369%  kept
        T HA    ALA   34 - HB2   LEU   31   7.42 +/- 0.35   9.616% * 20.0318% (0.90 10.00   0.41  11.55) =   3.509%  kept
          HA    THR   26 - HB2   LEU   31   8.87 +/- 0.43   5.016% *  0.9546% (0.76  1.00   0.23   0.02) =   0.087%
          HA1   GLY  101 - HB2   LEU   31  11.68 +/- 4.48  15.606% *  0.1072% (0.99  1.00   0.02   0.02) =   0.030%
        T HA    ALA  124 - HB2   LEU   31  26.63 +/- 8.83   1.215% *  0.1668% (0.15 10.00   0.02   0.02) =   0.004%
          HA    LEU  115 - HB2   LEU   31  21.93 +/- 3.01   0.388% *  0.0826% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  25.37 +/- 3.22   0.251% *  0.1072% (0.99  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  25.65 +/- 3.15   0.242% *  0.0241% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  24.44 +/- 2.46   0.282% *  0.0167% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.16, residual support = 231.7:
      O   HN    LEU   31 - HB2   LEU   31   2.70 +/- 0.25  96.946% * 99.3670% (0.34  10.0   7.16 231.74) =  99.991%  kept
          HN    LYS+  38 - HB2   LEU   31   9.49 +/- 1.00   2.607% *  0.2907% (1.00   1.0   0.02   0.02) =   0.008%
          HN    ASP-  62 - HB2   LEU   31  19.27 +/- 2.95   0.318% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.20 +/- 2.85   0.129% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.65, residual support = 42.0:
          HN    GLN   32 - HB2   LEU   31   2.91 +/- 0.34  82.415% * 71.5521% (0.76   5.93  44.33) =  92.846%  kept
          HN    ALA   34 - HB2   LEU   31   5.22 +/- 0.23  16.250% * 27.9461% (0.84   2.12  11.55) =   7.150%  kept
          HN    LEU   80 - HB2   LEU   31  17.93 +/- 5.58   0.685% *  0.2294% (0.73   0.02   0.02) =   0.002%
          HN    SER   85 - HB2   LEU   31  19.59 +/- 6.59   0.514% *  0.1186% (0.38   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   31  25.76 +/- 2.65   0.137% *  0.1538% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.16, residual support = 231.7:
      O   HN    LEU   31 - HA    LEU   31   2.78 +/- 0.06  94.565% * 99.3670% (0.34  10.0   7.16 231.74) =  99.984%  kept
          HN    LYS+  38 - HA    LEU   31   7.69 +/- 0.68   4.819% *  0.2907% (1.00   1.0   0.02   0.02) =   0.015%
          HN    ASP-  62 - HA    LEU   31  17.82 +/- 2.49   0.468% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  25.26 +/- 2.81   0.148% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.779, support = 5.36, residual support = 37.5:
      O   HN    GLN   32 - HA    LEU   31   3.58 +/- 0.05  39.776% * 84.9095% (0.76  10.0   5.93  44.33) =  79.288%  kept
          HN    ALA   34 - HA    LEU   31   3.13 +/- 0.30  59.151% * 14.9140% (0.84   1.0   3.21  11.55) =  20.711%  kept
          HN    LEU   80 - HA    LEU   31  18.16 +/- 4.82   0.519% *  0.0807% (0.73   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    LEU   31  20.21 +/- 5.49   0.413% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.90 +/- 2.71   0.142% *  0.0541% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.763, support = 0.02, residual support = 0.142:
          QD1   LEU  104 - HA    LEU   31  10.04 +/- 3.07  23.427% * 21.2420% (0.99   0.02   0.11) =  33.914%  kept
          QD1   LEU   73 - HA    LEU   31   8.65 +/- 4.07  33.058% * 10.4319% (0.49   0.02   0.41) =  23.502%  kept
          QG1   VAL   83 - HA    LEU   31  12.69 +/- 5.71  13.143% * 17.1611% (0.80   0.02   0.02) =  15.372%  kept
          QD2   LEU   80 - HA    LEU   31  13.49 +/- 6.09  10.254% * 18.5904% (0.87   0.02   0.02) =  12.992%  kept
          QD1   LEU   63 - HA    LEU   31  12.10 +/- 2.97  14.864% * 10.4319% (0.49   0.02   0.02) =  10.567%  kept
          QD2   LEU  115 - HA    LEU   31  17.89 +/- 2.40   2.292% * 17.9012% (0.84   0.02   0.02) =   2.797%  kept
          QG2   ILE   89 - HA    LEU   31  16.06 +/- 2.75   2.962% *  4.2413% (0.20   0.02   0.02) =   0.856%  kept
    Distance limit 3.86 A violated in 17 structures by 1.96 A, eliminated.
    Peak unassigned.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 3.65, residual support = 17.3:
          HD1   TRP   87 - QG2   VAL   83   2.33 +/- 0.49  87.656% * 73.5294% (0.53   3.71  17.35) =  98.016%  kept
          HE3   TRP   87 - QG2   VAL   83   6.13 +/- 0.51   5.852% * 20.5451% (0.45   1.21  17.35) =   1.828%  kept
          HN    TRP   27 - QG2   VAL   83  12.71 +/- 5.91   1.833% *  4.1425% (1.00   0.11   0.44) =   0.115%  kept
          HN    ALA   91 - QG2   VAL   83   7.97 +/- 0.73   3.240% *  0.6301% (0.84   0.02   0.02) =   0.031%
          HN    ALA   61 - QG2   VAL   83  14.40 +/- 2.04   0.628% *  0.5765% (0.76   0.02   0.02) =   0.006%
          HN    THR   39 - QG2   VAL   83  16.60 +/- 2.98   0.451% *  0.4271% (0.57   0.02   0.02) =   0.003%
          HN    GLU-  36 - QG2   VAL   83  18.27 +/- 3.79   0.341% *  0.1493% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  11.16 +/- 1.95 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.20 A violated in 20 structures by 7.96 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.553, support = 0.02, residual support = 0.0822:
          HE21  GLN   30 - QG2   VAL   42   8.88 +/- 2.39  32.217% * 30.1124% (0.67   0.02   0.02) =  42.263%  kept
          QD    PHE   59 - QG2   VAL   42   8.24 +/- 1.85  41.887% * 17.5479% (0.39   0.02   0.02) =  32.021%  kept
          HD1   TRP   27 - QG2   VAL   42  11.26 +/- 2.33  18.016% * 17.5479% (0.39   0.02   0.47) =  13.773%  kept
          HH2   TRP   49 - QG2   VAL   42  15.79 +/- 2.54   7.879% * 34.7918% (0.77   0.02   0.02) =  11.943%  kept
    Distance limit 3.39 A violated in 18 structures by 3.38 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.759, support = 0.294, residual support = 1.68:
          QD2   LEU   40 - QG2   VAL   42   3.33 +/- 1.19  35.958% * 64.9838% (0.79  1.00   0.33   1.90) =  87.576%  kept
        T HB    VAL   75 - QG2   VAL   42   7.36 +/- 1.16   9.385% * 19.1786% (0.39 10.00   0.02   0.02) =   6.746%  kept
          QD1   LEU   67 - QG2   VAL   42   5.64 +/- 1.76  20.567% *  3.9314% (0.80  1.00   0.02   0.02) =   3.030%  kept
          QD2   LEU   71 - QG2   VAL   42   6.23 +/- 1.27  12.284% *  1.9179% (0.39  1.00   0.02   1.45) =   0.883%  kept
          QG2   ILE  103 - QG2   VAL   42   6.59 +/- 1.30   4.949% *  3.9052% (0.79  1.00   0.02   0.02) =   0.724%  kept
          QD1   ILE  103 - QG2   VAL   42   7.27 +/- 1.38   7.676% *  1.4788% (0.30  1.00   0.02   0.02) =   0.425%  kept
          HG3   LYS+  74 - QG2   VAL   42  10.04 +/- 1.78   2.926% *  3.7272% (0.76  1.00   0.02   0.02) =   0.409%  kept
          QG2   ILE  119 - QG2   VAL   42   9.77 +/- 2.91   6.254% *  0.8772% (0.18  1.00   0.02   0.02) =   0.206%  kept
    Distance limit 3.10 A violated in 0 structures by 0.21 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.974, support = 4.17, residual support = 23.4:
        T HZ2   TRP   27 - QD2   LEU   31   3.28 +/- 0.44  62.281% * 96.9137% (0.99 10.00   4.24  23.75) =  98.108%  kept
        T HZ2   TRP   27 - QG2   VAL   43   6.65 +/- 3.71  37.719% *  3.0863% (0.07 10.00   0.94   4.21) =   1.892%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.19, residual support = 52.8:
          HE22  GLN   30 - QD2   LEU   31   4.32 +/- 0.22  59.808% * 99.1213% (0.90   3.20  52.86) =  99.828%  kept
          HD22  ASN   69 - QD2   LEU   31  11.85 +/- 4.05  20.640% *  0.4472% (0.65   0.02   0.02) =   0.155%  kept
          HE22  GLN   30 - QG2   VAL   43   9.71 +/- 3.05  12.155% *  0.0420% (0.06   0.02   0.02) =   0.009%
          HN    TRP   49 - QD2   LEU   31  19.00 +/- 3.13   0.860% *  0.3365% (0.49   0.02   0.02) =   0.005%
          HD22  ASN   69 - QG2   VAL   43  12.39 +/- 2.27   3.709% *  0.0303% (0.04   0.02   0.02) =   0.002%
          HN    TRP   49 - QG2   VAL   43  13.37 +/- 1.68   2.829% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 61.0:
      O T HA    VAL   43 - QG2   VAL   43   2.37 +/- 0.41  79.985% * 99.3737% (0.50  10.0 10.00   3.00  61.01) =  99.976%  kept
        T HA    VAL   43 - QD2   LEU   31   8.43 +/- 2.80   3.805% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.014%
          HA    ASN   69 - QD2   LEU   31  11.87 +/- 3.27  11.690% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.005%
          HA    HIS   22 - QG2   VAL   43  12.18 +/- 3.57   1.551% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   69 - QG2   VAL   43  11.77 +/- 2.04   1.012% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS   22 - QD2   LEU   31   9.57 +/- 0.99   1.957% *  0.0389% (0.20   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.199, support = 3.11, residual support = 20.7:
        T HZ3   TRP   27 - QD2   LEU   31   3.19 +/- 0.74  61.143% * 77.4367% (0.14 10.00   3.37  23.75) =  84.376%  kept
          HZ3   TRP   27 - QG2   VAL   43   5.76 +/- 3.47  38.857% * 22.5633% (0.50  1.00   1.67   4.21) =  15.624%  kept
    Distance limit 3.05 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 = 0.886, support = 4.34, residual support = 42.9:
          HN    GLN   32 - QG    GLN   32   3.61 +/- 0.48  75.428% * 83.8503% (0.92   4.39  45.32) =  94.673%  kept
          HN    ALA   34 - QG    GLN   32   5.55 +/- 0.41  22.768% * 15.6141% (0.22   3.39   0.67) =   5.322%  kept
          HN    SER   85 - QG    GLN   32  21.82 +/- 6.14   0.659% *  0.3993% (0.97   0.02   0.02) =   0.004%
          HN    LEU   80 - QG    GLN   32  20.25 +/- 5.28   0.753% *  0.0638% (0.15   0.02   0.02) =   0.001%
          HN    THR   94 - QG    GLN   32  21.77 +/- 2.24   0.391% *  0.0725% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 4.4, residual support = 45.1:
      O   HN    GLN   32 - QB    GLN   32   2.13 +/- 0.08  90.706% * 95.8702% (0.92  10.0   4.41  45.32) =  99.598%  kept
          HN    ALA   34 - QB    GLN   32   4.70 +/- 0.27   8.781% *  3.9953% (0.22   1.0   3.46   0.67) =   0.402%  kept
          HN    SER   85 - QB    GLN   32  20.90 +/- 6.08   0.180% *  0.1002% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  19.02 +/- 5.51   0.224% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.68 +/- 2.05   0.108% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.262, support = 6.24, residual support = 55.2:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.03  25.775% * 68.3749% (0.36  10.0   6.40  26.45) =  55.597%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.76 +/- 0.05  52.720% * 26.3554% (0.14  10.0   6.10  92.35) =  43.834%  kept
          HN    GLN   30 - HA    GLN   32   6.68 +/- 0.20   3.738% *  2.9149% (0.55   1.0   0.55   1.75) =   0.344%  kept
          HN    GLU-  14 - HA    GLU-  29  14.77 +/- 5.41   5.450% *  1.1265% (0.41   1.0   0.29   0.02) =   0.194%  kept
          HN    GLN   30 - HA    LYS+  33   7.51 +/- 0.62   2.762% *  0.1081% (0.57   1.0   0.02   0.30) =   0.009%
          HN    GLU-  14 - HA    GLN   32  16.33 +/- 5.24   0.983% *  0.1211% (0.63   1.0   0.02   0.02) =   0.004%
          HN    GLU-  29 - HA    GLN   32   7.46 +/- 0.38   2.725% *  0.0405% (0.21   1.0   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    LYS+  33  21.59 +/- 6.08   0.801% *  0.1081% (0.57   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    GLN   32  13.24 +/- 3.21   0.803% *  0.0953% (0.50   1.0   0.02   0.02) =   0.002%
          HN    GLU-  29 - HA    LYS+  33   8.92 +/- 0.89   1.692% *  0.0417% (0.22   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LYS+  33  15.25 +/- 3.70   0.440% *  0.1246% (0.65   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  14.11 +/- 2.67   0.549% *  0.0980% (0.51   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    GLN   32  21.54 +/- 6.37   0.371% *  0.1051% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLU-  29  16.19 +/- 3.41   0.387% *  0.0620% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  21.84 +/- 6.66   0.213% *  0.0953% (0.50   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLU-  29  22.67 +/- 6.16   0.267% *  0.0684% (0.36   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  21.76 +/- 7.19   0.207% *  0.0620% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  24.00 +/- 5.46   0.115% *  0.0980% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.389, support = 4.46, residual support = 44.2:
      O   HN    GLN   32 - HA    GLN   32   2.74 +/- 0.06  60.308% * 79.3293% (0.39  10.0   4.46  45.32) =  96.286%  kept
          HN    GLN   32 - HA    LYS+  33   5.26 +/- 0.16   8.646% * 19.5712% (0.40   1.0   4.79  15.57) =   3.406%  kept
          HN    GLN   32 - HA    GLU-  29   3.55 +/- 0.29  29.714% *  0.5121% (0.25   1.0   0.20   0.02) =   0.306%  kept
          HN    SER   85 - HA    GLN   32  23.16 +/- 6.32   0.182% *  0.1293% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  22.73 +/- 7.01   0.195% *  0.0842% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  25.24 +/- 5.14   0.107% *  0.1331% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.54 +/- 2.34   0.119% *  0.0682% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.80 +/- 1.57   0.096% *  0.0702% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  22.42 +/- 2.16   0.120% *  0.0444% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  22.47 +/- 4.27   0.165% *  0.0216% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  21.05 +/- 5.40   0.231% *  0.0141% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  23.73 +/- 3.72   0.117% *  0.0222% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.627, support = 6.0, residual support = 139.9:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.02  52.556% * 79.3011% (0.69  10.0   6.21 156.43) =  88.260%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.57 +/- 0.04  27.160% * 20.3940% (0.18  10.0   4.42  15.57) =  11.730%  kept
          HN    LYS+  33 - HA    GLU-  29   4.64 +/- 1.07  17.899% *  0.0221% (0.19   1.0   0.02   0.02) =   0.008%
          HN    CYS   21 - HA    LYS+  33  15.38 +/- 2.47   0.415% *  0.1035% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.92 +/- 1.46   0.819% *  0.0289% (0.25   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLN   32  15.25 +/- 1.77   0.389% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.52 +/- 4.43   0.133% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  25.33 +/- 3.35   0.087% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  25.44 +/- 5.42   0.162% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.05 +/- 4.48   0.123% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  23.38 +/- 4.81   0.127% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  23.38 +/- 4.60   0.130% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.657, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  16.47 +/- 2.30  13.696% * 37.1179% (0.92   0.02   0.02) =  35.836%  kept
          HE3   TRP   27 - QB    LYS+  33   8.83 +/- 0.75  64.652% *  5.4417% (0.14   0.02   0.02) =  24.800%  kept
          HN    LYS+  81 - QB    LYS+  33  21.05 +/- 5.42   7.861% * 39.4132% (0.98   0.02   0.02) =  21.840%  kept
          HN    LYS+  66 - QB    LYS+  33  16.72 +/- 2.21  13.791% * 18.0271% (0.45   0.02   0.02) =  17.525%  kept
    Distance limit 3.73 A violated in 20 structures by 4.94 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.11, residual support = 156.4:
      O   HN    LYS+  33 - QB    LYS+  33   2.41 +/- 0.23  98.559% * 99.9232% (0.97  10.0   6.11 156.43) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  12.23 +/- 2.53   1.009% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  22.03 +/- 4.27   0.431% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.879, support = 5.62, residual support = 37.6:
          HN    ALA   34 - QB    LYS+  33   3.30 +/- 0.44  70.741% * 67.6288% (0.92   5.93  41.71) =  84.173%  kept
          HN    GLN   32 - QB    LYS+  33   4.79 +/- 0.38  28.154% * 31.9462% (0.65   4.00  15.57) =  15.824%  kept
          HN    LEU   80 - QB    LYS+  33  19.33 +/- 4.73   0.561% *  0.2064% (0.84   0.02   0.02) =   0.002%
          HN    CYS   53 - QB    LYS+  33  25.67 +/- 2.55   0.184% *  0.1499% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  21.84 +/- 4.67   0.361% *  0.0687% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.572, support = 0.02, residual support = 0.02:
          HN    ILE  103 - QB    LYS+  33  15.65 +/- 2.95  28.118% * 24.3087% (0.57   0.02   0.02) =  36.916%  kept
          HN    SER   82 - QB    LYS+  33  20.78 +/- 5.97  15.384% * 34.3809% (0.80   0.02   0.02) =  28.567%  kept
          HN    GLY   16 - QB    LYS+  33  12.05 +/- 4.85  49.957% *  8.4971% (0.20   0.02   0.02) =  22.927%  kept
          HN    GLN   90 - QB    LYS+  33  23.60 +/- 2.69   6.540% * 32.8133% (0.76   0.02   0.02) =  11.590%  kept
    Distance limit 3.93 A violated in 18 structures by 6.31 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.516, support = 5.62, residual support = 152.8:
      O   HA    LYS+  33 - HG2   LYS+  33   3.96 +/- 0.24  38.080% * 93.6753% (0.53  10.0   5.67 156.43) =  97.339%  kept
          HB2   SER   82 - QG    LYS+  81   6.05 +/- 1.47  19.558% *  4.7664% (0.13   1.0   4.02  19.90) =   2.544%  kept
          HB2   SER   37 - HG2   LYS+  33   7.36 +/- 2.64  16.136% *  0.1487% (0.84   1.0   0.02   0.02) =   0.065%
          HA    GLU-  29 - HG2   LYS+  33   6.45 +/- 1.19  11.746% *  0.0668% (0.38   1.0   0.02   0.02) =   0.021%
          HA    VAL   70 - HG2   LYS+  33  11.92 +/- 2.39   1.815% *  0.1487% (0.84   1.0   0.02   0.02) =   0.007%
          HA1   GLY   16 - HG2   LYS+  33  13.97 +/- 5.41   3.037% *  0.0867% (0.49   1.0   0.02   0.02) =   0.007%
          HA    VAL   18 - HG2   LYS+  33  12.37 +/- 3.83   2.709% *  0.0607% (0.34   1.0   0.02   0.02) =   0.004%
          HA    GLN  116 - HG2   LYS+ 106  14.71 +/- 2.45   0.932% *  0.0902% (0.51   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+ 106  16.06 +/- 1.81   0.650% *  0.0902% (0.51   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HG2   LYS+  33  24.52 +/- 4.23   0.274% *  0.1487% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  20.01 +/- 1.79   0.328% *  0.0902% (0.51   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HG2   LYS+ 106  23.42 +/- 5.28   0.436% *  0.0526% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   LYS+  33  22.19 +/- 7.51   0.461% *  0.0495% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - QG    LYS+  81  23.00 +/- 3.45   0.317% *  0.0712% (0.40   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - QG    LYS+  81  20.98 +/- 1.68   0.293% *  0.0712% (0.40   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG    LYS+  81  21.14 +/- 6.76   0.503% *  0.0320% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.45 +/- 2.00   0.275% *  0.0568% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  20.04 +/- 4.24   0.411% *  0.0368% (0.21   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  22.05 +/- 7.55   0.507% *  0.0291% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  18.84 +/- 3.76   0.489% *  0.0300% (0.17   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  23.92 +/- 2.86   0.201% *  0.0712% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.53 +/- 3.06   0.307% *  0.0405% (0.23   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  26.22 +/- 7.19   0.294% *  0.0415% (0.23   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  23.90 +/- 4.94   0.239% *  0.0448% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 124.2:
        T QD1   ILE   56 - QG2   ILE   56   2.30 +/- 0.62  85.999% * 99.6085% (0.98 10.00   5.17 124.24) =  99.989%  kept
          QD2   LEU   73 - QG2   ILE   56  11.65 +/- 3.36   7.884% *  0.0814% (0.80  1.00   0.02   0.02) =   0.007%
        T QG1   VAL   41 - QG2   ILE   56  14.71 +/- 1.74   0.795% *  0.1568% (0.15 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QG2   ILE   56  12.82 +/- 2.12   1.246% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QG2   ILE   56   9.03 +/- 2.56   3.753% *  0.0138% (0.14  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QG2   ILE   56  18.72 +/- 2.90   0.324% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.979, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   4.35 +/- 1.64  70.486% * 49.9558% (0.99 10.00   0.02   0.02) =  96.167%  kept
        T HA    ILE   19 - QG2   ILE   56  16.52 +/- 2.53   2.444% * 42.0992% (0.84 10.00   0.02   0.02) =   2.811%  kept
          HA    GLU- 114 - QG2   ILE   56   8.55 +/- 1.65  23.452% *  1.2568% (0.25  1.00   0.02   0.02) =   0.805%  kept
          HA    GLU-  25 - QG2   ILE   56  21.56 +/- 3.81   1.193% *  3.0570% (0.61  1.00   0.02   0.02) =   0.100%
          HA    THR   26 - QG2   ILE   56  20.91 +/- 3.33   1.167% *  2.8535% (0.57  1.00   0.02   0.02) =   0.091%
          HA1   GLY  101 - QG2   ILE   56  20.94 +/- 2.83   1.258% *  0.7777% (0.15  1.00   0.02   0.02) =   0.027%
    Distance limit 3.18 A violated in 11 structures by 1.37 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 = 0.912, support = 4.09, residual support = 21.4:
          HA    PHE   55 - QG2   ILE   56   4.38 +/- 0.70  53.033% * 91.2821% (0.92   4.24  22.25) =  96.119%  kept
          HA    ALA  110 - QG2   ILE   56   8.80 +/- 3.33  25.095% *  7.6626% (0.65   0.51   0.51) =   3.818%  kept
          HA    THR   46 - QG2   ILE   56   9.14 +/- 2.61  16.600% *  0.0923% (0.20   0.02   0.02) =   0.030%
          HA    VAL   42 - QG2   ILE   56  13.06 +/- 2.05   2.810% *  0.3737% (0.80   0.02   0.02) =   0.021%
          HA    GLN   90 - QG2   ILE   56  16.07 +/- 2.62   1.195% *  0.3566% (0.76   0.02   0.02) =   0.008%
          HA    GLN   17 - QG2   ILE   56  17.60 +/- 3.15   0.879% *  0.1164% (0.25   0.02   0.02) =   0.002%
          HA    SER   37 - QG2   ILE   56  23.44 +/- 2.09   0.389% *  0.1164% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 1 structures by 0.68 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  10.36 +/- 1.54 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.01 A violated in 20 structures by 7.34 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.26, residual support = 31.3:
          HN    ALA   57 - QG2   ILE   56   3.88 +/- 0.32  63.420% * 99.1085% (0.92   5.27  31.33) =  99.818%  kept
          HE21  GLN  116 - QG2   ILE   56   7.03 +/- 2.54  26.414% *  0.3532% (0.87   0.02   0.02) =   0.148%  kept
          HN    ALA  120 - QG2   ILE   56   9.24 +/- 1.96   9.292% *  0.1982% (0.49   0.02   0.02) =   0.029%
          HE21  GLN   90 - QG2   ILE   56  18.26 +/- 2.80   0.874% *  0.3401% (0.84   0.02   0.02) =   0.005%
    Distance limit 3.50 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.643, support = 6.67, residual support = 123.3:
          HN    ILE   56 - QG2   ILE   56   2.83 +/- 0.60  72.201% * 95.4204% (0.65   6.72 124.24) =  99.220%  kept
          QE    PHE   60 - QG2   ILE   56   6.54 +/- 2.02  15.748% *  3.2588% (0.20   0.75   4.15) =   0.739%  kept
          HN    LEU   63 - QG2   ILE   56   8.01 +/- 1.49   5.562% *  0.3356% (0.76   0.02   0.02) =   0.027%
          HN    LYS+ 111 - QG2   ILE   56   8.23 +/- 2.26   5.276% *  0.1221% (0.28   0.02   0.02) =   0.009%
          HZ2   TRP   87 - QG2   ILE   56  16.69 +/- 2.17   0.509% *  0.3356% (0.76   0.02   0.02) =   0.002%
          HD21  ASN   28 - QG2   ILE   56  19.68 +/- 3.37   0.311% *  0.4054% (0.92   0.02   0.02) =   0.002%
          HN    ALA   84 - QG2   ILE   56  17.52 +/- 2.60   0.392% *  0.1221% (0.28   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.783, support = 2.45, residual support = 4.45:
        T HB    THR   39 - QB    ALA   34   5.00 +/- 1.32  30.415% * 90.7533% (0.80 10.00   2.55   4.76) =  90.949%  kept
          HB3   SER   37 - QB    ALA   34   5.08 +/- 1.06  30.982% *  4.5620% (0.69  1.00   1.18   0.89) =   4.657%  kept
          HA    GLN   30 - QB    ALA   34   4.90 +/- 0.84  30.854% *  4.3028% (0.44  1.00   1.75   1.71) =   4.374%  kept
          QB    SER   13 - QB    ALA   34  12.25 +/- 2.94   4.127% *  0.0934% (0.83  1.00   0.02   0.02) =   0.013%
          HB3   SER   82 - QB    ALA   34  17.09 +/- 4.93   0.982% *  0.1003% (0.89  1.00   0.02   0.02) =   0.003%
          HB    THR  118 - QB    ALA   34  16.05 +/- 2.71   1.343% *  0.0380% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QB    ALA   34  18.19 +/- 1.93   0.531% *  0.0773% (0.69  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  23.22 +/- 2.65   0.284% *  0.0573% (0.51  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QB    ALA   34  19.89 +/- 2.07   0.480% *  0.0156% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.88, residual support = 11.6:
          HA    LEU   31 - QB    ALA   34   2.24 +/- 0.35 100.000% *100.0000% (0.65   1.88  11.55) = 100.000%  kept
    Distance limit 3.35 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 = 3.05, residual support = 8.41:
        T QG1   VAL   41 - QB    ALA   34   3.33 +/- 1.69  53.929% * 88.3957% (0.75 10.00   3.12   8.21) =  93.874%  kept
          HG    LEU   31 - QB    ALA   34   4.68 +/- 0.86  29.499% * 10.4265% (0.83  1.00   2.13  11.55) =   6.057%  kept
        T QG2   VAL   18 - QB    ALA   34  10.24 +/- 2.76   5.543% *  0.4351% (0.37 10.00   0.02   0.02) =   0.047%
          QD2   LEU   73 - QB    ALA   34   7.30 +/- 2.12   6.555% *  0.0847% (0.72  1.00   0.02   0.02) =   0.011%
        T QD1   ILE   56 - QB    ALA   34  15.24 +/- 1.58   0.515% *  0.5568% (0.47 10.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - QB    ALA   34   8.12 +/- 1.93   3.051% *  0.0685% (0.58  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - QB    ALA   34  13.34 +/- 1.55   0.907% *  0.0327% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 2.58 A violated in 0 structures by 0.34 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 +/- 0.08  96.053% * 98.6158% (0.62   3.35  20.13) =  99.981%  kept
          HN    ALA   12 - QB    ALA   34  15.51 +/- 3.16   1.264% *  0.8551% (0.89   0.02   0.02) =   0.011%
          HN    PHE   97 - QB    ALA   34  10.89 +/- 1.13   2.248% *  0.2645% (0.28   0.02   0.02) =   0.006%
          HN    LEU  115 - QB    ALA   34  18.93 +/- 1.83   0.434% *  0.2645% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.43 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 = 3.7, residual support = 25.1:
      O   HN    ALA   34 - QB    ALA   34   2.06 +/- 0.07  98.895% * 99.6936% (0.58  10.0   3.70  25.14) =  99.999%  kept
          HN    LEU   80 - QB    ALA   34  16.14 +/- 3.10   0.269% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - QB    ALA   34  10.81 +/- 0.59   0.726% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.12 +/- 2.24   0.110% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 3.5, residual support = 25.1:
      O   HN    ALA   34 - HA    ALA   34   2.75 +/- 0.03  91.420% * 99.6949% (0.87  10.0   3.50  25.14) =  99.997%  kept
          HN    GLN   32 - HA    ALA   34   6.73 +/- 0.27   6.340% *  0.0287% (0.25   1.0   0.02   0.67) =   0.002%
          HN    LEU   80 - HA    ALA   34  20.85 +/- 3.70   0.256% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.67 +/- 2.79   0.117% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  25.88 +/- 8.34   0.473% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  23.48 +/- 4.53   0.431% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  27.45 +/- 9.26   0.892% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  31.49 +/- 3.58   0.071% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.856, support = 1.53, residual support = 3.0:
          HB    THR   39 - HA    ALA   34   5.26 +/- 1.98  27.613% * 58.9019% (0.88   1.96   4.76) =  53.660%  kept
          HB3   SER   37 - HA    ALA   34   4.06 +/- 1.60  42.267% * 30.2727% (0.89   0.99   0.89) =  42.215%  kept
          HA    GLN   30 - HA    ALA   34   6.27 +/- 1.25  15.794% *  7.7473% (0.16   1.44   1.71) =   4.037%  kept
          QB    SER   13 - HA    ALA   34  14.30 +/- 3.05   1.649% *  0.5925% (0.87   0.02   0.02) =   0.032%
          QB    SER   13 - HA    ALA  124  24.28 +/- 9.09   5.360% *  0.1360% (0.20   0.02   0.02) =   0.024%
          HB    THR  118 - HA    ALA   34  20.52 +/- 3.18   0.536% *  0.4692% (0.69   0.02   0.02) =   0.008%
          HB3   SER   82 - HA    ALA   34  22.13 +/- 5.75   0.344% *  0.4458% (0.65   0.02   0.02) =   0.005%
          HA    ILE   89 - HA    ALA   34  23.62 +/- 1.97   0.190% *  0.6126% (0.89   0.02   0.02) =   0.004%
          HB    THR  118 - HA    ALA  124  13.54 +/- 0.78   1.075% *  0.1077% (0.16   0.02   0.02) =   0.004%
          HB    THR   39 - HA    ALA  124  24.39 +/- 7.83   0.800% *  0.1381% (0.20   0.02   0.02) =   0.004%
          HB3   SER   37 - HA    ALA  124  26.62 +/- 8.24   0.465% *  0.1406% (0.21   0.02   0.02) =   0.002%
          HA    GLN   30 - HA    ALA  124  26.13 +/- 8.89   2.482% *  0.0247% (0.04   0.02   0.02) =   0.002%
          HD3   PRO   52 - HA    ALA  124  25.93 +/- 5.59   1.097% *  0.0314% (0.05   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA   34  29.25 +/- 3.28   0.168% *  0.1367% (0.20   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    ALA  124  29.93 +/- 2.42   0.095% *  0.1406% (0.21   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  34.65 +/- 3.70   0.065% *  0.1023% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.896, support = 4.02, residual support = 54.7:
      O T HA    ASN   35 - HB2   ASN   35   2.55 +/- 0.13  75.492% * 97.5620% (0.90  10.0 10.00   4.02  54.70) =  99.919%  kept
        T HA    LEU   40 - HB2   ASN   35   9.73 +/- 1.75   6.403% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.061%
        T HA    GLU-  15 - HB2   ASN   35  15.72 +/- 5.24   0.891% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T HA    ASN   35 - HB2   ASN   28  12.87 +/- 1.48   0.884% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  15 - HB2   ASN   28  15.18 +/- 4.87   1.272% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HB2   ASN   35  10.75 +/- 2.86   2.021% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB2   ASN   28  16.97 +/- 6.43   9.857% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - HB2   ASN   28  15.02 +/- 2.12   0.494% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   ASN   35  18.02 +/- 5.35   0.852% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   ASN   35  26.00 +/- 8.03   0.254% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  27.36 +/- 9.12   0.526% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  15.96 +/- 3.33   0.499% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.34 +/- 2.87   0.060% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  25.14 +/- 3.26   0.095% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.12 +/- 3.77   0.097% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  23.68 +/- 4.15   0.167% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.32 +/- 2.21   0.049% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  28.72 +/- 4.70   0.085% *  0.0139% (0.13   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 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.82, residual support = 54.7:
      O   HN    ASN   35 - HB2   ASN   35   2.87 +/- 0.40  72.679% * 99.3043% (0.57  10.0   5.83  54.70) =  99.921%  kept
          HN    GLU-  14 - HB2   ASN   28  16.03 +/- 6.41  16.112% *  0.3225% (0.11   1.0   0.35   0.02) =   0.072%
          HN    LYS+  99 - HB2   ASN   35  12.34 +/- 2.91   1.451% *  0.0993% (0.57   1.0   0.02   0.02) =   0.002%
          HN    ALA   12 - HB2   ASN   35  19.79 +/- 6.06   4.112% *  0.0307% (0.18   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB2   ASN   35  17.19 +/- 4.97   1.132% *  0.0598% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   ASN   28  10.73 +/- 0.93   1.828% *  0.0309% (0.18   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASN   35  21.20 +/- 6.29   0.474% *  0.0854% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   ASN   28  16.90 +/- 3.50   0.572% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  23.01 +/- 6.42   0.583% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  19.16 +/- 5.87   1.058% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 54.7:
      O   HD21  ASN   35 - HB2   ASN   35   2.90 +/- 0.43  93.579% * 99.7208% (1.00  10.0   3.57  54.70) =  99.998%  kept
          HD21  ASN   35 - HB2   ASN   28  11.85 +/- 1.92   2.447% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  12.22 +/- 1.76   1.647% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  20.04 +/- 2.14   0.346% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  18.50 +/- 2.82   0.853% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.77 +/- 3.64   0.100% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  18.78 +/- 3.31   0.476% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  26.12 +/- 4.90   0.203% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  31.15 +/- 3.94   0.110% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  25.70 +/- 6.17   0.238% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.852, support = 2.46, residual support = 6.29:
        T HA    GLN   32 - HB2   ASN   35   4.23 +/- 0.91  33.017% * 74.0291% (0.99 10.00   2.06   3.57) =  83.246%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.11 +/- 0.29  33.080% *  7.9253% (0.11 10.00   5.76  32.93) =   8.929%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.48 +/- 0.31  13.672% * 16.6286% (0.22 10.00   2.94   4.82) =   7.743%  kept
        T HA    GLN   32 - HB2   ASN   28   7.99 +/- 1.06   5.446% *  0.2303% (0.31 10.00   0.02   0.02) =   0.043%
        T HA    GLU-  29 - HB2   ASN   35   9.26 +/- 0.80   2.677% *  0.2548% (0.34 10.00   0.02   0.02) =   0.023%
        T HA    LYS+  65 - HB2   ASN   35  20.54 +/- 2.60   0.483% *  0.3349% (0.45 10.00   0.02   0.02) =   0.006%
        T HA    LYS+  33 - HB2   ASN   28  10.38 +/- 1.08   2.223% *  0.0517% (0.07 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HB2   ASN   28  19.63 +/- 2.99   0.374% *  0.1042% (0.14 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASN   28  17.76 +/-10.42   2.331% *  0.0104% (0.14  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   ASN   35  17.55 +/- 5.16   0.677% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   35  16.92 +/- 3.55   0.677% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   28  13.76 +/- 2.68   1.450% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  23.43 +/- 7.02   0.349% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  26.42 +/- 4.42   0.159% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  23.39 +/- 5.00   0.271% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  22.42 +/- 6.26   0.310% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  17.64 +/- 4.33   0.776% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  18.96 +/- 7.38   0.756% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.47 +/- 3.39   0.095% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.57 +/- 3.43   0.080% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  24.54 +/- 4.91   0.279% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  27.46 +/- 3.64   0.131% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  26.59 +/- 6.06   0.181% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  27.16 +/- 8.07   0.504% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.989, support = 4.93, residual support = 51.6:
          QB    GLU-  36 - HB3   ASN   35   4.12 +/- 0.27  73.074% * 97.7155% (0.99   4.95  51.72) =  99.712%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.10 +/- 0.75  17.685% *  1.0015% (0.18   0.29   0.02) =   0.247%  kept
          HB3   GLU-  29 - HB3   ASN   35  10.07 +/- 0.73   5.296% *  0.3680% (0.92   0.02   0.02) =   0.027%
          HG3   GLU-  29 - HB3   ASN   35  11.83 +/- 0.71   3.260% *  0.2257% (0.57   0.02   0.02) =   0.010%
          HB3   GLU-  79 - HB3   ASN   35  23.63 +/- 3.76   0.473% *  0.3847% (0.97   0.02   0.02) =   0.003%
          HB2   GLN   90 - HB3   ASN   35  30.13 +/- 3.71   0.212% *  0.3046% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.714, support = 5.44, residual support = 44.8:
          QB    GLU-  36 - HB2   ASN   35   5.20 +/- 0.51  22.799% * 65.6501% (0.99  1.00   5.41  51.72) =  63.842%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.39 +/- 0.77  37.879% * 12.1937% (0.18  1.00   5.66  32.93) =  19.701%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.48 +/- 0.44  19.595% * 19.0917% (0.29  1.00   5.43  32.93) =  15.957%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.94 +/- 0.89  10.806% *  0.8704% (0.18  1.00   0.41   0.02) =   0.401%  kept
        T HB3   GLU-  79 - HB2   ASN   28  17.62 +/- 6.70   1.609% *  0.7351% (0.30 10.00   0.02   0.02) =   0.050%
          HB3   GLU-  29 - HB2   ASN   35  10.86 +/- 0.75   2.339% *  0.2260% (0.92  1.00   0.02   0.02) =   0.023%
          HG3   GLU-  29 - HB2   ASN   35  12.54 +/- 0.82   1.561% *  0.1386% (0.57  1.00   0.02   0.02) =   0.009%
        T HB2   GLN   90 - HB2   ASN   28  24.61 +/- 5.71   0.306% *  0.5821% (0.24 10.00   0.02   0.02) =   0.008%
          QB    GLU-  36 - HB2   ASN   28  12.23 +/- 1.27   1.751% *  0.0755% (0.31  1.00   0.02   0.02) =   0.006%
          HB3   GLU-  79 - HB2   ASN   35  23.62 +/- 3.38   0.265% *  0.2363% (0.97  1.00   0.02   0.02) =   0.003%
          HB2   GLN   90 - HB2   ASN   35  29.83 +/- 3.84   0.130% *  0.1871% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  16.38 +/- 2.21   0.961% *  0.0133% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.729, support = 1.89, residual support = 4.25:
          HA    LYS+  33 - HB3   ASN   35   4.24 +/- 0.18  37.991% * 56.0089% (0.92  1.00   1.78   4.82) =  55.389%  kept
          HA    GLN   32 - HB3   ASN   35   3.80 +/- 0.51  50.222% * 33.8827% (0.49  1.00   2.05   3.57) =  44.296%  kept
        T HA    VAL   18 - HB3   ASN   35  16.78 +/- 3.46   0.913% *  6.7875% (1.00 10.00   0.02   0.02) =   0.161%  kept
          HA    GLU-  29 - HB3   ASN   35   8.62 +/- 0.54   4.400% *  0.6742% (0.99  1.00   0.02   0.02) =   0.077%
          HA    VAL   70 - HB3   ASN   35  13.74 +/- 3.05   5.492% *  0.4401% (0.65  1.00   0.02   0.02) =   0.063%
          HB2   SER   82 - HB3   ASN   35  23.58 +/- 7.29   0.406% *  0.6788% (1.00  1.00   0.02   0.02) =   0.007%
          HA    GLN  116 - HB3   ASN   35  27.15 +/- 3.68   0.168% *  0.4401% (0.65  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   ASN   35  29.72 +/- 3.04   0.124% *  0.5199% (0.76  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   ASN   35  26.82 +/- 4.27   0.178% *  0.3579% (0.53  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB3   ASN   35  31.88 +/- 3.13   0.105% *  0.2100% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.94, residual support = 54.7:
      O   HA    ASN   35 - HB3   ASN   35   3.04 +/- 0.03  85.679% * 99.4336% (0.90  10.0   3.94  54.70) =  99.988%  kept
          HA    LEU   40 - HB3   ASN   35  10.16 +/- 1.65   8.108% *  0.0717% (0.65   1.0   0.02   0.02) =   0.007%
          HA    LYS+  99 - HB3   ASN   35  11.34 +/- 2.58   2.724% *  0.0847% (0.76   1.0   0.02   0.02) =   0.003%
          HA    GLU-  15 - HB3   ASN   35  15.46 +/- 5.15   1.422% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   ASN   35  17.74 +/- 4.89   1.223% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  26.42 +/- 8.17   0.473% *  0.1087% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HB3   ASN   35  28.71 +/- 2.63   0.110% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  25.47 +/- 2.92   0.171% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  30.84 +/- 2.52   0.089% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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   2.40 +/- 0.24  99.375% * 99.8105% (1.00  10.0   3.26  54.70) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.60 +/- 2.02   0.209% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  18.78 +/- 2.71   0.303% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.08 +/- 3.33   0.064% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  31.44 +/- 3.77   0.049% *  0.0249% (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 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 51.4:
          HN    GLU-  36 - HB3   ASN   35   2.65 +/- 0.27  91.045% * 92.4737% (0.97   5.91  51.72) =  99.428%  kept
          HN    THR   39 - HB3   ASN   35   6.96 +/- 1.00   7.005% *  6.8560% (0.90   0.47   0.02) =   0.567%  kept
          HN    LYS+ 102 - HB3   ASN   35  13.44 +/- 3.04   1.045% *  0.2708% (0.84   0.02   0.02) =   0.003%
          HN    TRP   27 - HB3   ASN   35  13.94 +/- 0.57   0.702% *  0.1001% (0.31   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB3   ASN   35  22.44 +/- 4.84   0.204% *  0.2993% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 54.7:
      O   HN    ASN   35 - HB3   ASN   35   2.34 +/- 0.16  99.233% * 99.9102% (0.97  10.0   5.86  54.70) =  99.999%  kept
          HN    ALA   12 - HB3   ASN   35  19.52 +/- 5.48   0.767% *  0.0898% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.16 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   3.57 +/- 0.11 100.000% *100.0000% (0.99  10.0   3.26  54.70) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 6.0, residual support = 51.3:
          HN    GLU-  36 - HB2   ASN   35   3.71 +/- 0.33  76.003% * 94.9302% (0.92   6.05  51.72) =  99.222%  kept
          HN    THR   39 - HB2   ASN   35   7.05 +/- 0.73  12.930% *  4.2191% (0.53   0.47   0.02) =   0.750%  kept
          HN    LYS+ 102 - HB2   ASN   35  12.72 +/- 3.52   4.214% *  0.3394% (1.00   0.02   0.02) =   0.020%
          HN    GLU-  36 - HB2   ASN   28  12.35 +/- 1.01   2.227% *  0.0977% (0.29   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   28  17.95 +/- 4.02   1.167% *  0.1056% (0.31   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   ASN   35  22.08 +/- 4.84   0.637% *  0.1926% (0.57   0.02   0.02) =   0.002%
          HN    THR   39 - HB2   ASN   28  14.21 +/- 1.54   1.487% *  0.0557% (0.16   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   28  18.41 +/- 6.51   1.335% *  0.0599% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.55, residual support = 86.3:
      O T HA    GLU-  36 - QB    GLU-  36   2.37 +/- 0.18  87.316% * 99.4140% (0.84  10.0 10.00   5.55  86.29) =  99.995%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.27 +/- 1.49   0.751% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA  124 - HB3   GLU-  29  29.10 +/-10.36  10.929% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  66 - QB    GLU-  36  19.39 +/- 2.60   0.244% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  24.76 +/- 3.56   0.097% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  26.26 +/- 7.96   0.208% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  23.36 +/- 7.09   0.171% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  21.06 +/- 3.14   0.157% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  28.25 +/- 2.52   0.059% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.94 +/- 4.00   0.068% *  0.0082% (0.07   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 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.67, residual support = 18.7:
          HN    SER   37 - QB    GLU-  36   3.38 +/- 0.32  60.368% * 91.5943% (0.45   3.71  18.90) =  98.727%  kept
          HN    LYS+  33 - QB    GLU-  36   5.75 +/- 0.78  14.665% *  4.5856% (0.28   0.30   0.02) =   1.201%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.57 +/- 1.12  19.055% *  0.0948% (0.09   0.02   0.02) =   0.032%
          HN    CYS   21 - HB3   GLU-  29  11.02 +/- 1.78   2.188% *  0.3289% (0.30   0.02   0.02) =   0.013%
          HN    CYS   21 - QB    GLU-  36  16.71 +/- 2.51   0.651% *  1.0617% (0.97   0.02   0.02) =   0.012%
          HN    SER   37 - HB3   GLU-  29  11.35 +/- 1.82   2.106% *  0.1528% (0.14   0.02   0.02) =   0.006%
          HN    ILE  119 - QB    GLU-  36  24.46 +/- 3.84   0.259% *  0.9542% (0.87   0.02   0.02) =   0.004%
          HN    ILE   89 - QB    GLU-  36  24.47 +/- 2.31   0.177% *  0.7117% (0.65   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   GLU-  29  25.70 +/- 5.59   0.317% *  0.2956% (0.27   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   GLU-  29  24.39 +/- 4.59   0.214% *  0.2205% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.686, support = 7.3, residual support = 86.2:
      O   HN    GLU-  36 - QB    GLU-  36   2.19 +/- 0.17  92.542% * 96.4955% (0.69  10.0   7.31  86.29) =  99.846%  kept
          HN    THR   39 - QB    GLU-  36   6.43 +/- 0.40   4.252% *  3.2003% (0.28   1.0   1.64   1.01) =   0.152%  kept
          HN    LYS+ 102 - QB    GLU-  36  13.86 +/- 2.46   0.472% *  0.1219% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   GLU-  29  10.11 +/- 1.47   1.136% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.53 +/- 4.22   0.234% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  12.61 +/- 1.81   0.699% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  17.94 +/- 1.90   0.209% *  0.0350% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  21.94 +/- 3.50   0.118% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  21.67 +/- 5.92   0.177% *  0.0134% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  20.69 +/- 3.55   0.161% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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   3.46 +/- 0.49  98.070% * 98.3911% (0.28   4.82  86.29) =  99.985%  kept
          HN    LYS+ 102 - HG2   GLU-  36  15.75 +/- 2.59   1.306% *  0.6586% (0.45   0.02   0.02) =   0.009%
          HN    ASP- 105 - HG2   GLU-  36  20.14 +/- 2.11   0.624% *  0.9503% (0.65   0.02   0.02) =   0.006%
    Distance limit 4.40 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 = 85.2:
          HN    GLU-  36 - HG3   GLU-  36   3.57 +/- 0.68  79.149% * 90.6696% (0.69   4.82  86.29) =  98.694%  kept
          HN    THR   39 - HG3   GLU-  36   7.33 +/- 1.49  11.181% *  8.3861% (0.28   1.10   1.01) =   1.289%  kept
          HN    LYS+ 102 - HG3   GLU-  36  15.86 +/- 2.72   1.550% *  0.4753% (0.87   0.02   0.02) =   0.010%
          HN    LYS+ 102 - QB    MET   11  24.41 +/- 6.64   3.348% *  0.0592% (0.11   0.02   0.02) =   0.003%
          HN    ASP- 105 - HG3   GLU-  36  20.29 +/- 2.11   0.573% *  0.1366% (0.25   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    MET   11  17.61 +/- 4.53   1.639% *  0.0469% (0.09   0.02   0.02) =   0.001%
          HD1   TRP   87 - HG3   GLU-  36  24.80 +/- 3.81   0.327% *  0.1691% (0.31   0.02   0.02) =   0.001%
          HN    THR   39 - QB    MET   11  17.37 +/- 4.28   1.216% *  0.0190% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  27.61 +/- 5.53   0.508% *  0.0211% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  24.83 +/- 5.30   0.508% *  0.0170% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.16 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   2.80 +/- 0.05  98.953% * 99.6076% (0.28  10.0   6.05  86.29) =  99.998%  kept
          HN    LYS+ 102 - HA    GLU-  36  15.20 +/- 2.37   0.755% *  0.1606% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP- 105 - HA    GLU-  36  19.90 +/- 1.49   0.293% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.60 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 = 29.4:
      O   HN    SER   37 - HB2   SER   37   3.16 +/- 0.38  98.396% * 99.7690% (0.98  10.0   3.80  29.37) =  99.999%  kept
          HN    ILE  119 - HB2   SER   37  23.36 +/- 3.98   0.473% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB2   SER   37  17.21 +/- 3.52   0.887% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  24.55 +/- 1.88   0.245% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.535, support = 0.02, residual support = 0.02:
          HN    GLU-  29 - HB3   SER   37  12.76 +/- 1.58  12.449% * 22.4691% (0.82   0.02   0.02) =  23.921%  kept
          HN    GLN   30 - HB3   SER   37  10.84 +/- 1.63  21.166% * 12.9780% (0.47   0.02   0.02) =  23.491%  kept
          HN    GLU-  29 - QB    SER   13  14.64 +/- 4.84  15.353% * 17.1942% (0.63   0.02   0.02) =  22.576%  kept
          HN    VAL   18 - QB    SER   13   9.40 +/- 2.39  25.641% *  4.8772% (0.18   0.02   0.02) =  10.695%  kept
          HN    GLN   30 - QB    SER   13  14.07 +/- 3.81   9.824% *  9.9312% (0.36   0.02   0.02) =   8.343%  kept
          HN    VAL   18 - HB3   SER   37  16.43 +/- 5.02  11.045% *  6.3735% (0.23   0.02   0.02) =   6.020%  kept
          HN    ASP-  86 - QB    SER   13  27.08 +/- 4.74   2.617% * 11.3477% (0.41   0.02   0.02) =   2.540%  kept
          HN    ASP-  86 - HB3   SER   37  24.14 +/- 3.93   1.904% * 14.8290% (0.54   0.02   0.02) =   2.414%  kept
    Distance limit 3.92 A violated in 17 structures by 3.71 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 = 218.2:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.01  78.537% * 91.8736% (0.92  10.0   6.63 220.97) =  98.619%  kept
          HN    SER   37 - HA    LYS+  38   4.11 +/- 0.17  12.576% *  8.0308% (0.25   1.0   6.47  20.87) =   1.380%  kept
          HN    LYS+  38 - HA    GLU- 100   8.62 +/- 3.02   4.096% *  0.0056% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38   9.92 +/- 1.09   1.024% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   9.32 +/- 3.00   2.193% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  20.03 +/- 2.06   0.120% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  28.50 +/- 2.61   0.040% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  11.99 +/- 3.70   1.258% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.00 +/- 2.50   0.112% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.31 +/- 2.69   0.044% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 6.31, residual support = 28.6:
      O   HN    THR   39 - HA    LYS+  38   3.04 +/- 0.05  60.186% * 91.8904% (0.92  10.0   6.38  28.99) =  98.399%  kept
          HN    GLU-  36 - HA    LYS+  38   5.39 +/- 0.24  11.294% *  7.4029% (0.95   1.0   1.57   2.50) =   1.488%  kept
          HN    LYS+ 102 - HA    GLU- 100   5.28 +/- 0.57  12.773% *  0.4799% (0.05   1.0   1.99   0.02) =   0.109%  kept
          HN    LYS+ 102 - HA    LYS+  38  11.58 +/- 2.93   1.967% *  0.0797% (0.80   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100   8.06 +/- 2.75   9.266% *  0.0056% (0.06   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    LYS+  38  21.62 +/- 3.49   0.214% *  0.0942% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  15.55 +/- 1.40   0.502% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100  10.00 +/- 3.29   2.924% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  18.77 +/- 3.85   0.362% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.22 +/- 3.46   0.510% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.51, residual support = 20.9:
          HN    SER   37 - HB2   LYS+  38   4.64 +/- 0.22  97.173% * 99.2400% (1.00   5.51  20.87) =  99.994%  kept
          HN    ILE  119 - HB2   LYS+  38  24.50 +/- 3.96   0.855% *  0.2888% (0.80   0.02   0.02) =   0.003%
          HN    ILE   89 - HB2   LYS+  38  26.69 +/- 2.30   0.576% *  0.3481% (0.97   0.02   0.02) =   0.002%
          HN    CYS   21 - HB2   LYS+  38  20.21 +/- 2.08   1.395% *  0.1230% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 1 structures by 0.82 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.504, support = 5.31, residual support = 25.4:
          HN    THR   39 - HB2   LYS+  38   4.31 +/- 0.14  70.550% * 69.3943% (0.45   5.93  28.99) =  86.547%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.21 +/- 0.42  25.438% * 29.8402% (0.87   1.32   2.50) =  13.419%  kept
          HN    LYS+ 102 - HB2   LYS+  38  13.52 +/- 2.84   3.529% *  0.5115% (0.98   0.02   0.02) =   0.032%
          HD1   TRP   87 - HB2   LYS+  38  23.92 +/- 3.34   0.483% *  0.2540% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.41 A violated in 0 structures by 0.80 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 5.75, residual support = 199.8:
          HN    LYS+  38 - HG2   LYS+  38   3.28 +/- 0.35  69.816% * 71.6373% (0.80   5.85 220.97) =  89.400%  kept
          HN    SER   37 - HG2   LYS+  38   4.91 +/- 0.24  21.128% * 28.0452% (0.38   4.89  20.87) =  10.592%  kept
          HN    LYS+  38 - HG2   LYS+  99   9.33 +/- 1.92   4.171% *  0.0667% (0.22   0.02   0.02) =   0.005%
          HN    SER   37 - HG2   LYS+  99  10.19 +/- 2.41   4.153% *  0.0313% (0.10   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG2   LYS+  38  30.31 +/- 2.78   0.112% *  0.1043% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  25.94 +/- 2.64   0.169% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  26.35 +/- 3.22   0.182% *  0.0284% (0.09   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  21.88 +/- 2.21   0.268% *  0.0186% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.74, support = 5.62, residual support = 192.5:
          HN    LYS+  38 - HG3   LYS+  38   4.31 +/- 0.11  61.204% * 69.4015% (0.80   5.67 220.97) =  85.794%  kept
          HN    SER   37 - HG3   LYS+  38   5.98 +/- 0.21  23.148% * 30.3709% (0.38   5.30  20.87) =  14.200%  kept
          HN    LYS+  38 - HG3   LYS+  99  10.07 +/- 2.08   7.713% *  0.0255% (0.08   0.02   0.02) =   0.004%
          HN    SER   37 - HG3   LYS+  99  10.95 +/- 2.58   6.552% *  0.0120% (0.04   0.02   0.02) =   0.002%
          HN    ILE   89 - HG3   LYS+  38  26.74 +/- 2.85   0.294% *  0.0680% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  30.79 +/- 2.92   0.185% *  0.1042% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  26.19 +/- 3.32   0.394% *  0.0109% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  22.03 +/- 2.38   0.509% *  0.0071% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.91, residual support = 38.3:
      O   HN    THR   39 - HA    THR   39   2.89 +/- 0.04  75.669% * 94.8167% (0.97  10.0   3.91  38.43) =  99.009%  kept
          HN    LYS+ 102 - HA    ILE  103   4.99 +/- 0.24  14.970% *  4.7614% (0.24   1.0   4.04  23.56) =   0.984%  kept
          HN    GLU-  36 - HA    THR   39   8.42 +/- 0.61   3.410% *  0.0881% (0.90   1.0   0.02   1.01) =   0.004%
          HN    LYS+ 102 - HA    THR   39  11.88 +/- 2.06   1.473% *  0.0713% (0.73   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    ILE  103  13.98 +/- 4.07   1.053% *  0.0318% (0.32   1.0   0.02   4.39) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.33 +/- 3.05   0.274% *  0.0963% (0.98   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  13.50 +/- 1.33   0.811% *  0.0313% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  15.74 +/- 1.70   0.541% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  16.08 +/- 1.80   0.484% *  0.0291% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.23 +/- 3.85   0.882% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.40 +/- 1.97   0.119% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  18.77 +/- 2.14   0.314% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 4.29, residual support = 24.7:
      O   HN    LEU   40 - HA    THR   39   2.26 +/- 0.07  92.436% * 99.8247% (0.57  10.0   4.29  24.72) =  99.996%  kept
          HN    GLY  101 - HA    THR   39  10.27 +/- 2.29   1.773% *  0.1069% (0.61   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    ILE  103   6.17 +/- 0.50   4.947% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    LEU   40 - HA    ILE  103  11.55 +/- 1.26   0.844% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 3.91, residual support = 38.4:
      O   HN    THR   39 - HB    THR   39   2.94 +/- 0.45  91.313% * 99.6727% (0.97  10.0   3.91  38.43) =  99.992%  kept
          HN    GLU-  36 - HB    THR   39   7.91 +/- 0.75   5.261% *  0.0926% (0.90   1.0   0.02   1.01) =   0.005%
          HN    LYS+ 102 - HB    THR   39  12.68 +/- 1.83   1.694% *  0.0750% (0.73   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB    THR   39  14.84 +/- 2.11   1.154% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB    THR   39  20.11 +/- 2.77   0.396% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  25.16 +/- 1.83   0.182% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.18, residual support = 24.7:
          HN    LEU   40 - HB    THR   39   3.82 +/- 0.68  93.672% * 99.9146% (0.98   4.18  24.72) =  99.994%  kept
          HN    GLY  101 - HB    THR   39  10.98 +/- 1.99   6.328% *  0.0854% (0.18   0.02   0.02) =   0.006%
    Distance limit 3.91 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.583, support = 0.163, residual support = 0.154:
          HN    LEU   71 - QG2   THR   39   5.48 +/- 2.07  46.793% * 48.8891% (0.60   0.17   0.16) =  93.062%  kept
          HN    GLU- 114 - QB    ALA   91  14.02 +/- 2.16   6.395% *  3.7876% (0.40   0.02   0.02) =   0.985%  kept
          HN    LEU   71 - QG2   THR   23  14.74 +/- 2.27   5.747% *  3.1541% (0.33   0.02   0.02) =   0.737%  kept
          HN    GLN  116 - QB    ALA   91  14.90 +/- 1.79   4.700% *  3.2276% (0.34   0.02   0.02) =   0.617%  kept
          HN    GLN  116 - QG2   THR   39  19.56 +/- 2.51   2.047% *  6.8349% (0.72   0.02   0.02) =   0.569%  kept
          HN    THR  118 - QG2   THR   39  18.00 +/- 2.90   2.908% *  4.6327% (0.49   0.02   0.02) =   0.548%  kept
          HN    GLU- 114 - QG2   THR   39  21.26 +/- 2.25   1.644% *  8.0208% (0.85   0.02   0.02) =   0.536%  kept
          HN    GLN  116 - QG2   THR   23  20.37 +/- 5.33   3.134% *  3.8353% (0.41   0.02   0.02) =   0.489%  kept
          HN    PHE   60 - QG2   THR   39  15.77 +/- 1.53   3.924% *  2.7912% (0.30   0.02   0.02) =   0.446%  kept
          HN    PHE   60 - QG2   THR   23  16.71 +/- 4.14   6.649% *  1.5663% (0.17   0.02   0.02) =   0.424%  kept
          HN    THR  118 - QG2   THR   23  20.31 +/- 5.55   3.791% *  2.5996% (0.28   0.02   0.02) =   0.401%  kept
          HN    GLU- 114 - QG2   THR   23  21.61 +/- 4.89   2.026% *  4.5008% (0.48   0.02   0.02) =   0.371%  kept
          HN    THR  118 - QB    ALA   91  15.94 +/- 1.66   3.552% *  2.1877% (0.23   0.02   0.02) =   0.316%  kept
          HN    LEU   71 - QB    ALA   91  18.51 +/- 1.90   2.567% *  2.6543% (0.28   0.02   0.02) =   0.277%  kept
          HN    PHE   60 - QB    ALA   91  14.36 +/- 2.28   4.124% *  1.3181% (0.14   0.02   0.02) =   0.221%  kept
    Distance limit 3.46 A violated in 11 structures by 2.00 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 4.11, residual support = 24.7:
          HN    LEU   40 - QG2   THR   39   3.52 +/- 0.45  97.927% * 99.4992% (0.66   4.11  24.72) =  99.994%  kept
          HN    LEU   40 - QG2   THR   23  16.37 +/- 2.14   1.453% *  0.2719% (0.37   0.02   0.02) =   0.004%
          HN    LEU   40 - QB    ALA   91  20.21 +/- 1.84   0.621% *  0.2288% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.51 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 = 0.586, support = 3.62, residual support = 16.4:
      O   HN    ALA   91 - QB    ALA   91   2.37 +/- 0.20  45.824% * 88.1893% (0.61  10.0   3.61  14.40) =  91.298%  kept
          HN    THR   39 - QG2   THR   39   2.69 +/- 0.54  36.844% * 10.2770% (0.38   1.0   3.74  38.43) =   8.554%  kept
          HN    TRP   27 - QG2   THR   23   4.75 +/- 0.98   9.327% *  0.6662% (0.10   1.0   0.94   1.13) =   0.140%  kept
          HD1   TRP   87 - QB    ALA   91   8.68 +/- 0.98   0.999% *  0.1111% (0.76   1.0   0.02   0.02) =   0.003%
          HN    GLU-  36 - QG2   THR   39   6.59 +/- 0.93   2.497% *  0.0258% (0.18   1.0   0.02   1.01) =   0.001%
          HN    TRP   27 - QB    ALA   91  17.87 +/- 3.87   0.260% *  0.1342% (0.92   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA   91  10.34 +/- 1.76   0.673% *  0.0363% (0.25   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QG2   THR   39  12.52 +/- 1.75   0.383% *  0.0634% (0.44   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA   91  14.57 +/- 2.38   0.280% *  0.0765% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.50 +/- 1.77   0.669% *  0.0153% (0.11   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.84 +/- 2.71   0.172% *  0.0525% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.94 +/- 1.70   0.203% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.26 +/- 1.56   0.057% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  16.01 +/- 3.06   0.210% *  0.0171% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.46 +/- 2.24   0.090% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.05 +/- 1.81   0.068% *  0.0416% (0.29   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  16.23 +/- 4.85   0.231% *  0.0117% (0.08   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.31 +/- 2.17   0.047% *  0.0546% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  15.83 +/- 3.67   0.288% *  0.0080% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.14 +/- 1.67   0.166% *  0.0122% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  18.50 +/- 3.55   0.135% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.78 +/- 1.26   0.165% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.10 +/- 4.20   0.267% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  17.66 +/- 3.88   0.146% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.66, residual support = 14.6:
          HN    MET   92 - QB    ALA   91   2.65 +/- 0.74  73.365% * 97.0773% (0.87   3.66  14.64) =  99.854%  kept
          HN    THR   46 - QB    ALA   91   6.70 +/- 1.73  14.372% *  0.5990% (0.98   0.02   0.02) =   0.121%  kept
          HN    LYS+  74 - QB    ALA   91  13.50 +/- 1.55   0.936% *  0.5300% (0.87   0.02   0.02) =   0.007%
          HN    LYS+  74 - QG2   THR   39  11.16 +/- 1.80   1.627% *  0.2503% (0.41   0.02   0.02) =   0.006%
          HN    LYS+ 112 - QB    ALA   91  12.65 +/- 2.28   0.922% *  0.2084% (0.34   0.02   0.02) =   0.003%
          HN    LYS+  74 - QG2   THR   23  10.66 +/- 4.13   3.381% *  0.0557% (0.09   0.02   0.02) =   0.003%
          HN    THR   46 - QG2   THR   39  16.88 +/- 1.43   0.484% *  0.2828% (0.46   0.02   0.02) =   0.002%
          HN    MET   11 - QG2   THR   39  16.66 +/- 3.91   0.779% *  0.1518% (0.25   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   39  20.77 +/- 2.11   0.287% *  0.2503% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   23  16.73 +/- 5.60   1.695% *  0.0338% (0.06   0.02   0.02) =   0.001%
          HN    THR   46 - QG2   THR   23  15.04 +/- 3.12   0.908% *  0.0630% (0.10   0.02   0.02) =   0.001%
          HN    MET   11 - QB    ALA   91  29.37 +/- 4.76   0.097% *  0.3215% (0.53   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  18.65 +/- 3.32   0.477% *  0.0557% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  22.04 +/- 1.50   0.220% *  0.0984% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  21.29 +/- 4.15   0.450% *  0.0219% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.657, support = 5.1, residual support = 80.6:
          HA    LEU   40 - QD2   LEU   40   2.68 +/- 0.64  55.727% * 62.8716% (0.61   6.01 105.53) =  73.681%  kept
          HA    LYS+  99 - QD2   LEU   40   3.52 +/- 1.06  35.137% * 35.5487% (0.80   2.57  10.79) =  26.268%  kept
          HA    LEU  123 - QD2   LEU   40  14.50 +/- 5.58   3.054% *  0.3419% (0.99   0.02   0.02) =   0.022%
          HA    ASN   35 - QD2   LEU   40   8.91 +/- 1.57   2.363% *  0.3184% (0.92   0.02   0.02) =   0.016%
          HA    GLU-  15 - QD2   LEU   40  13.58 +/- 3.30   1.672% *  0.1418% (0.41   0.02   0.02) =   0.005%
          HA    ILE   56 - QD2   LEU   40  15.58 +/- 2.54   0.404% *  0.3263% (0.95   0.02   0.02) =   0.003%
          HA    PRO   58 - QD2   LEU   40  13.60 +/- 2.51   0.681% *  0.1547% (0.45   0.02   0.02) =   0.002%
          HA    SER   13 - QD2   LEU   40  16.20 +/- 2.98   0.614% *  0.1418% (0.41   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD2   LEU   40  16.78 +/- 2.35   0.349% *  0.1547% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.981, support = 4.49, residual support = 104.2:
          HA    LEU   40 - QD1   LEU   40   3.57 +/- 0.62  48.409% * 94.9502% (0.99   4.55 105.53) =  98.612%  kept
          HA    LYS+  99 - QD1   LEU   40   5.33 +/- 1.39  20.145% *  2.8379% (0.31   0.44  10.79) =   1.227%  kept
          HA    LEU  123 - QD1   LEU   40  13.97 +/- 5.53  13.131% *  0.2555% (0.61   0.02   0.02) =   0.072%
          HA    PRO   58 - QD1   LEU   40  12.52 +/- 2.29   2.604% *  0.3888% (0.92   0.02   0.02) =   0.022%
          HA    ASN   35 - QD1   LEU   40   9.42 +/- 1.34   4.064% *  0.1889% (0.45   0.02   0.02) =   0.016%
          HA    GLU-  15 - QD1   LEU   40  13.23 +/- 3.31   2.031% *  0.3778% (0.90   0.02   0.02) =   0.016%
          HA    GLN   17 - QD1   LEU   40  12.48 +/- 4.16   4.209% *  0.1300% (0.31   0.02   0.02) =   0.012%
          HA    SER   13 - QD1   LEU   40  15.61 +/- 2.44   1.013% *  0.3778% (0.90   0.02   0.02) =   0.008%
          HA    SER   37 - QD1   LEU   40  10.23 +/- 0.54   2.364% *  0.1300% (0.31   0.02   0.52) =   0.007%
          HA    ILE   56 - QD1   LEU   40  14.66 +/- 2.38   1.068% *  0.2050% (0.49   0.02   0.02) =   0.005%
          HA    THR   46 - QD1   LEU   40  13.88 +/- 1.24   0.962% *  0.1581% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.661, support = 0.02, residual support = 0.02:
        T HB3   HIS  122 - QD1   LEU   40  11.10 +/- 5.32  26.282% * 81.4215% (0.69 10.00   0.02   0.02) =  89.225%  kept
          QE    LYS+ 121 - QD1   LEU   40  10.91 +/- 4.10  25.161% *  4.0433% (0.34  1.00   0.02   0.02) =   4.242%  kept
          HB3   ASP-  78 - QD1   LEU   40  17.55 +/- 2.39   6.886% * 10.6304% (0.90  1.00   0.02   0.02) =   3.052%  kept
          QE    LYS+  74 - QD1   LEU   40  10.27 +/- 1.99  29.398% *  2.0759% (0.18  1.00   0.02   0.02) =   2.545%  kept
          QB    CYS   50 - QD1   LEU   40  15.61 +/- 2.07  12.274% *  1.8289% (0.15  1.00   0.02   0.02) =   0.936%  kept
    Distance limit 3.82 A violated in 15 structures by 3.63 A, eliminated.
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.915, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   9.09 +/- 2.22  38.571% * 27.6510% (1.00   0.02   0.02) =  42.491%  kept
          QD    PHE   59 - QD1   LEU   40   9.64 +/- 1.97  33.428% * 23.0961% (0.84   0.02   0.02) =  30.759%  kept
          HD1   TRP   27 - QD1   LEU   40  12.36 +/- 2.88  19.937% * 23.0961% (0.84   0.02   0.02) =  18.345%  kept
          HH2   TRP   49 - QD1   LEU   40  18.06 +/- 3.26   8.065% * 26.1568% (0.95   0.02   0.02) =   8.404%  kept
    Distance limit 3.86 A violated in 19 structures by 3.83 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.917, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.37 +/- 2.69  38.540% * 27.6510% (1.00   0.02   0.02) =  42.352%  kept
          QD    PHE   59 - QD2   LEU   40  10.32 +/- 2.12  30.906% * 23.0961% (0.84   0.02   0.02) =  28.368%  kept
          HD1   TRP   27 - QD2   LEU   40  12.49 +/- 2.61  20.404% * 23.0961% (0.84   0.02   0.02) =  18.729%  kept
          HH2   TRP   49 - QD2   LEU   40  18.56 +/- 3.28  10.150% * 26.1568% (0.95   0.02   0.02) =  10.551%  kept
    Distance limit 3.67 A violated in 19 structures by 4.26 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.64, residual support = 21.4:
          HN    VAL   41 - QD2   LEU   40   2.61 +/- 0.76 100.000% *100.0000% (0.73   4.64  21.35) = 100.000%  kept
    Distance limit 3.18 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 = 4.71, residual support = 9.89:
          HN    LEU   98 - QD2   LEU   40   3.44 +/- 0.70 100.000% *100.0000% (0.97   4.71   9.89) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.81, residual support = 105.5:
      O   HN    LEU   40 - HB3   LEU   40   2.82 +/- 0.40  93.327% * 99.9683% (0.98  10.0   4.81 105.53) =  99.999%  kept
          HN    GLY  101 - HB3   LEU   40   8.82 +/- 1.93   5.937% *  0.0179% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HB3   LEU  115  18.64 +/- 2.48   0.426% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.52 +/- 3.00   0.310% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.96, residual support = 105.5:
      O   HN    LEU   40 - HB2   LEU   40   2.37 +/- 0.38  97.511% * 99.9908% (0.76  10.0   4.96 105.53) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.06 +/- 2.33   2.489% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 36.7:
          QG2   VAL   70 - HB2   LEU   40   3.57 +/- 1.15  59.666% * 99.9538% (0.80   3.99  36.73) =  99.969%  kept
          QG2   VAL   70 - HB2   LEU   67   4.60 +/- 1.36  40.334% *  0.0462% (0.07   0.02   0.14) =   0.031%
    Distance limit 3.61 A violated in 2 structures by 0.43 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 36.7:
        T QG2   VAL   70 - HB3   LEU   40   4.25 +/- 1.09  88.762% * 99.8828% (0.98 10.00   3.99  36.73) =  99.985%  kept
        T QG2   VAL   70 - HB3   LEU  115  11.65 +/- 2.16  11.238% *  0.1172% (0.12 10.00   0.02   0.02) =   0.015%
    Distance limit 3.75 A violated in 4 structures by 0.72 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.231, support = 4.94, residual support = 94.8:
      O T HA    LEU   40 - HG    LEU   40   3.48 +/- 0.29  37.356% * 65.9870% (0.18  10.0 10.00   5.46 105.53) =  89.217%  kept
          HA    LYS+  99 - HG    LEU   40   5.94 +/- 1.38  10.768% *  9.8252% (0.98   1.0  1.00   0.53  10.79) =   3.829%  kept
          HA    ASP- 113 - HG    LEU  115   6.05 +/- 1.45  10.538% *  9.9989% (0.53   1.0  1.00   0.99   0.02) =   3.814%  kept
          HA    ILE   56 - HG    LEU  115   7.33 +/- 1.64   8.485% *  4.7556% (0.50   1.0  1.00   0.50   0.12) =   1.460%  kept
        T HA    ASN   35 - HG    LEU   40  10.64 +/- 1.85   6.817% *  3.3791% (0.90   1.0 10.00   0.02   0.02) =   0.834%  kept
          HA    PHE   59 - HG    LEU  115   6.62 +/- 1.59  11.388% *  1.8964% (0.20   1.0  1.00   0.51  28.54) =   0.782%  kept
          HA    LEU  123 - HG    LEU   40  17.41 +/- 6.27   1.636% *  0.2880% (0.76   1.0  1.00   0.02   0.02) =   0.017%
        T HA    ASN   35 - HG    LEU  115  24.77 +/- 2.86   0.119% *  1.9564% (0.52   1.0 10.00   0.02   0.02) =   0.008%
          HA    PHE   59 - HG    LEU   40  13.18 +/- 2.14   1.066% *  0.1285% (0.34   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LEU   40 - HG    LEU  115  18.35 +/- 3.00   0.340% *  0.3820% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          HA    LEU  123 - HG    LEU  115  13.67 +/- 1.54   0.734% *  0.1667% (0.44   1.0  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HG    LEU   40  17.98 +/- 2.84   0.374% *  0.3268% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HG    LEU   73  17.43 +/- 4.99   1.521% *  0.0609% (0.16   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   59 - HG    LEU   73  14.01 +/- 4.22   3.819% *  0.0240% (0.06   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - HG    LEU   40  19.96 +/- 2.98   0.261% *  0.3478% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HG    LEU   73  13.02 +/- 2.48   1.183% *  0.0689% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HG    LEU  115  18.81 +/- 3.05   0.311% *  0.2138% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU   73  20.43 +/- 5.70   0.767% *  0.0648% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HG    LEU   73  14.98 +/- 2.76   0.625% *  0.0630% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU   73  11.19 +/- 1.70   1.617% *  0.0123% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  21.62 +/- 4.71   0.272% *  0.0537% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.961, support = 6.42, residual support = 35.9:
        T QG2   VAL   70 - HG    LEU   40   2.78 +/- 0.96  84.114% * 83.8767% (0.98 10.00   6.52  36.73) =  97.578%  kept
        T QG2   VAL   70 - HG    LEU   73   7.38 +/- 0.97  11.050% * 15.6376% (0.18 10.00   2.68   0.85) =   2.390%  kept
        T QG2   VAL   70 - HG    LEU  115  12.05 +/- 2.49   4.836% *  0.4856% (0.57 10.00   0.02   0.02) =   0.032%
    Distance limit 3.50 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.22, residual support = 36.7:
          QG2   VAL   70 - QD1   LEU   40   2.55 +/- 0.71 100.000% *100.0000% (0.80   4.22  36.73) = 100.000%  kept
    Distance limit 2.96 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.4, residual support = 36.7:
          QG2   VAL   70 - QD2   LEU   40   3.68 +/- 0.82 100.000% *100.0000% (0.53   4.40  36.73) = 100.000%  kept
    Distance limit 3.27 A violated in 2 structures by 0.57 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  10.76 +/- 2.06 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.65 A violated in 20 structures by 8.11 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.772, support = 5.43, residual support = 105.5:
      O   HB3   LEU   40 - QD2   LEU   40   2.41 +/- 0.37  36.054% * 57.4464% (0.90  10.0  1.00   5.72 105.53) =  50.144%  kept
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  49.665% * 41.4375% (0.65  10.0 10.00   5.14 105.53) =  49.824%  kept
        T HB2   LYS+  74 - QD2   LEU   40  11.91 +/- 2.86   2.931% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.013%
          HG    LEU   67 - QD2   LEU   40   7.99 +/- 2.41   8.546% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.010%
        T HG    LEU  115 - QD2   LEU   40  13.17 +/- 2.43   0.275% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   73 - QD2   LEU   40   9.47 +/- 1.77   1.069% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD2   LEU   40  12.20 +/- 3.30   0.469% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD2   LEU   40  12.67 +/- 2.23   0.302% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   9.51 +/- 1.35   0.689% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.248, support = 2.16, residual support = 10.8:
        T HB3   LYS+  99 - QD2   LEU   40   3.37 +/- 0.83  55.113% * 43.3826% (0.22 10.00   1.92  10.79) =  54.293%  kept
        T HB2   LYS+  99 - QD2   LEU   40   4.02 +/- 0.61  35.725% * 56.3247% (0.28 10.00   2.44  10.79) =  45.692%  kept
          HB    VAL   43 - QD2   LEU   40   8.08 +/- 1.28   6.169% *  0.0760% (0.38  1.00   0.02   0.02) =   0.011%
          HB    ILE   89 - QD2   LEU   40  15.16 +/- 1.82   0.780% *  0.1229% (0.61  1.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - QD2   LEU   40  12.09 +/- 2.12   1.810% *  0.0313% (0.15  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD2   LEU   40  18.79 +/- 1.67   0.402% *  0.0625% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.374, support = 0.02, residual support = 0.02:
          HB2   HIS  122 - QD2   LEU   40  11.35 +/- 6.11  36.052% * 19.5836% (0.31   0.02   0.02) =  36.023%  kept
          HA    LEU   63 - QD2   LEU   40   9.36 +/- 1.58  40.710% * 11.1120% (0.18   0.02   0.02) =  23.081%  kept
          HB2   HIS   22 - QD2   LEU   40  16.75 +/- 2.51  13.082% * 33.3822% (0.53   0.02   0.02) =  22.282%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.29 +/- 1.77  10.156% * 35.9222% (0.57   0.02   0.02) =  18.614%  kept
    Distance limit 3.62 A violated in 16 structures by 4.06 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.691, support = 3.22, residual support = 10.6:
          QE    LYS+  99 - QD2   LEU   40   3.16 +/- 0.95  83.582% * 84.4255% (0.69   3.28  10.79) =  97.830%  kept
          QE    LYS+  38 - QD2   LEU   40   8.14 +/- 1.47  10.247% * 14.8254% (0.92   0.43   0.49) =   2.106%  kept
          QE    LYS+ 102 - QD2   LEU   40   9.59 +/- 1.17   6.170% *  0.7490% (1.00   0.02   0.02) =   0.064%
    Distance limit 4.05 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.843, support = 1.13, residual support = 1.33:
        T HB3   PHE   97 - QD2   LEU   40   5.12 +/- 1.50  50.257% * 90.6759% (0.84 10.00   1.14   1.40) =  94.721%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.23 +/- 1.28  28.369% *  8.8838% (0.99  1.00   0.94   0.02) =   5.239%  kept
          QG    GLN   32 - QD2   LEU   40  11.57 +/- 1.91  10.434% *  0.0650% (0.34  1.00   0.02   0.02) =   0.014%
          HB2   GLN  116 - QD2   LEU   40  15.46 +/- 2.63   3.080% *  0.1804% (0.95  1.00   0.02   0.02) =   0.012%
          QG    GLU-  79 - QD2   LEU   40  15.53 +/- 2.24   3.176% *  0.1233% (0.65  1.00   0.02   0.02) =   0.008%
          HB2   PRO   58 - QD2   LEU   40  14.43 +/- 2.57   4.684% *  0.0716% (0.38  1.00   0.02   0.02) =   0.007%
    Distance limit 4.32 A violated in 3 structures by 0.71 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.834, support = 4.38, residual support = 105.4:
      O T HB2   LEU   40 - QD1   LEU   40   2.41 +/- 0.38  71.798% * 99.2435% (0.84  10.0 10.00   4.39 105.53) =  99.895%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.44 +/- 2.12  13.719% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.094%
          HB3   MET   96 - QD1   LEU   40   8.34 +/- 1.82  12.088% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.009%
          HB    VAL   18 - QD1   LEU   40  12.08 +/- 3.84   1.642% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD1   LEU   40  17.65 +/- 2.76   0.303% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.83 +/- 2.45   0.451% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.345, support = 5.4, residual support = 104.9:
      O   HB2   LEU   40 - QD2   LEU   40   2.95 +/- 0.33  77.406% * 96.6350% (0.34  10.0  1.00   5.44 105.53) =  99.364%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.81 +/- 2.36  18.518% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.625%  kept
          HB    VAL   18 - QD2   LEU   40  12.88 +/- 4.07   1.656% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU  115 - QD2   LEU   40  13.39 +/- 1.98   1.197% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD2   LEU   40  15.85 +/- 2.43   0.798% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD2   LEU   40  18.66 +/- 2.42   0.425% *  0.2541% (0.90   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 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.755, support = 4.53, residual support = 105.4:
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.02  52.935% * 41.4524% (0.65  10.0  1.00   4.42 105.53) =  56.458%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.66 +/- 0.39  29.389% * 57.4671% (0.90  10.0 10.00   4.69 105.53) =  43.455%  kept
        T HG    LEU   67 - QD1   LEU   40   6.76 +/- 2.06   6.027% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.076%
          HB2   LYS+  74 - QD1   LEU   40  10.89 +/- 2.96   8.819% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU  115 - QD1   LEU   40  12.20 +/- 2.12   0.372% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QD1   LEU   40  12.02 +/- 3.15   0.725% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - QD1   LEU   40  12.68 +/- 2.27   0.353% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   LEU   40   8.88 +/- 1.51   0.921% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  11.27 +/- 1.74   0.458% *  0.0178% (0.28   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 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 4.38, residual support = 102.8:
      O T QD1   LEU   40 - HB2   LEU   40   2.41 +/- 0.38  48.501% * 92.1745% (1.00  10.0 10.00   4.39 105.53) =  93.903%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.72 +/- 0.46  37.946% *  7.6201% (0.08  10.0  1.00   4.26  60.39) =   6.074%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.44 +/- 2.12  10.142% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.018%
          QD2   LEU   67 - HB2   LEU   40   7.59 +/- 2.21   3.146% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL  108 - HB2   LEU   40  17.64 +/- 1.15   0.134% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  18.15 +/- 2.01   0.132% *  0.0032% (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 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.69, residual support = 105.5:
      O T QD1   LEU   40 - HB3   LEU   40   2.66 +/- 0.39  88.044% * 99.7412% (1.00  10.0 10.00   4.69 105.53) =  99.991%  kept
          QD2   LEU   67 - HB3   LEU   40   8.18 +/- 2.37   5.831% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.006%
        T QD1   LEU   40 - HB3   LEU  115  12.20 +/- 2.12   1.611% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   67 - HB3   LEU  115  13.81 +/- 2.48   1.382% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.49 +/- 1.05   0.387% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   9.34 +/- 1.45   2.745% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.863, support = 5.11, residual support = 104.9:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  54.955% * 89.0075% (0.87  10.0 10.00   5.14 105.53) =  99.397%  kept
          QD1   ILE  119 - HG    LEU  115   4.96 +/- 1.57  12.142% *  1.2008% (0.10   1.0  1.00   2.31   8.96) =   0.296%  kept
        T QD1   LEU   67 - HG    LEU   73   8.12 +/- 1.63   1.365% *  6.4211% (0.16   1.0 10.00   0.80   0.02) =   0.178%  kept
        T QD1   LEU   67 - HG    LEU   40   6.50 +/- 1.99   5.587% *  0.8571% (0.84   1.0 10.00   0.02   0.02) =   0.097%
        T HG3   LYS+  74 - HG    LEU   40  13.80 +/- 2.94   0.731% *  0.6224% (0.61   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  74 - HG    LEU  115  15.39 +/- 4.14   0.733% *  0.3603% (0.35   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   40 - HG    LEU   73   9.47 +/- 1.77   1.106% *  0.1659% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   40 - HG    LEU  115  13.17 +/- 2.43   0.316% *  0.5153% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   67 - HG    LEU  115  12.65 +/- 2.03   0.324% *  0.4962% (0.48   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HG    LEU   40   6.41 +/- 1.43   3.416% *  0.0180% (0.18   1.0  1.00   0.02   1.89) =   0.001%
          QG2   ILE  103 - HG    LEU   40   9.29 +/- 1.04   0.740% *  0.0745% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG    LEU   73   7.11 +/- 1.98  11.520% *  0.0034% (0.03   1.0  1.00   0.02   2.12) =   0.001%
          HB    VAL   75 - HG    LEU   40  11.36 +/- 1.35   0.413% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   7.58 +/- 1.14   1.668% *  0.0166% (0.16   1.0  1.00   0.02   1.67) =   0.001%
          HB    VAL   75 - HG    LEU  115  13.87 +/- 2.59   0.330% *  0.0515% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.84 +/- 3.43   0.840% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  12.53 +/- 2.19   0.347% *  0.0431% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.60 +/- 1.19   1.113% *  0.0116% (0.11   1.0  1.00   0.02  43.08) =   0.000%
          QD2   LEU   71 - HG    LEU  115  15.37 +/- 3.96   0.726% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.43 +/- 2.35   0.392% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.35 +/- 4.19   1.236% *  0.0034% (0.03   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 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.864, support = 3.95, residual support = 75.3:
      O T QG2   VAL   41 - QG1   VAL   41   2.06 +/- 0.05  52.434% * 93.7630% (0.87  10.0 10.00   4.00  76.10) =  98.479%  kept
          QD2   LEU   98 - QG1   VAL   41   3.80 +/- 1.16  17.667% *  3.8133% (0.69   1.0  1.00   1.03  26.26) =   1.349%  kept
        T QG2   VAL   41 - QG2   VAL   18  10.81 +/- 4.68   7.724% *  0.7166% (0.66   1.0 10.00   0.02   0.02) =   0.111%  kept
        T QD1   LEU   73 - QG1   VAL   41   7.10 +/- 1.79   2.586% *  0.3336% (0.31   1.0 10.00   0.02   0.02) =   0.017%
        T QD1   LEU   73 - QG2   VAL   18   8.53 +/- 4.89   3.025% *  0.2550% (0.24   1.0 10.00   0.02   0.59) =   0.015%
        T QD1   LEU   63 - QG2   VAL   18   8.44 +/- 2.24   1.672% *  0.2550% (0.24   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   63 - QG1   VAL   41   9.36 +/- 1.48   0.723% *  0.3336% (0.31   1.0 10.00   0.02   0.02) =   0.005%
        T QG2   VAL   41 - QD2   LEU  104   6.67 +/- 1.47   3.055% *  0.0504% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - QG2   VAL   18   8.79 +/- 2.62   1.997% *  0.0741% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU   98 - QD2   LEU  104   5.78 +/- 0.97   3.344% *  0.0399% (0.04   1.0 10.00   0.02  10.11) =   0.003%
          QD2   LEU   63 - QG1   VAL   41   9.07 +/- 1.77   0.829% *  0.0969% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   98 - QG2   VAL   18  12.03 +/- 4.26   1.190% *  0.0567% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG1   VAL   41  11.27 +/- 3.63   0.642% *  0.0742% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG2   VAL   18  13.28 +/- 7.32   0.678% *  0.0567% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QD2   LEU  104  10.20 +/- 2.06   0.812% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  11.41 +/- 2.51   0.645% *  0.0179% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  14.69 +/- 3.25   0.235% *  0.0399% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.93 +/- 2.14   0.742% *  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 = 0.228, support = 1.27, residual support = 6.44:
          QB    ALA   34 - QG2   VAL   41   4.49 +/- 2.03  51.568% * 41.1050% (0.18   1.51   8.21) =  78.357%  kept
          QB    ALA   88 - QG2   VAL   41  12.49 +/- 1.74   6.661% * 41.6428% (0.61   0.44   0.02) =  10.254%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.10 +/- 1.26  22.805% * 12.0511% (0.20   0.39   0.02) =  10.159%  kept
          QG2   THR   77 - QG2   VAL   41  10.46 +/- 1.35   7.074% *  2.9420% (0.95   0.02   0.02) =   0.769%  kept
          HG2   LYS+  38 - QG2   VAL   41   9.56 +/- 1.28   7.777% *  0.8647% (0.28   0.02   0.02) =   0.249%  kept
          QG2   THR   23 - QG2   VAL   41  11.92 +/- 2.81   4.114% *  1.3943% (0.45   0.02   0.02) =   0.212%  kept
    Distance limit 3.26 A violated in 7 structures by 1.03 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.64, residual support = 26.2:
        T QB    LEU   98 - QG2   VAL   41   3.67 +/- 1.32  44.463% * 95.2291% (0.34 10.00   2.65  26.26) =  99.647%  kept
        T HB2   LEU   80 - QG2   VAL   41  12.15 +/- 3.52   2.213% *  2.2355% (0.80 10.00   0.02   0.02) =   0.116%  kept
          HG12  ILE   19 - QG2   VAL   41  11.28 +/- 5.12  10.711% *  0.2786% (1.00  1.00   0.02   0.02) =   0.070%
          HB3   LYS+  74 - QG2   VAL   41  10.03 +/- 1.75   2.883% *  0.7810% (0.61  1.00   0.09   0.02) =   0.053%
          HG    LEU   73 - QG2   VAL   41   7.14 +/- 2.99  24.077% *  0.0862% (0.31  1.00   0.02   0.02) =   0.049%
          HB3   LEU   67 - QG2   VAL   41   9.71 +/- 1.87   3.672% *  0.1918% (0.69  1.00   0.02   0.02) =   0.017%
          QB    ALA   61 - QG2   VAL   41  11.25 +/- 2.29   2.324% *  0.2332% (0.84  1.00   0.02   0.02) =   0.013%
          HG    LEU   80 - QG2   VAL   41  12.46 +/- 3.85   1.880% *  0.2694% (0.97  1.00   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - QG2   VAL   41  15.00 +/- 5.11   2.303% *  0.1806% (0.65  1.00   0.02   0.02) =   0.010%
          QG    LYS+  66 - QG2   VAL   41  11.82 +/- 2.00   1.494% *  0.1359% (0.49  1.00   0.02   0.02) =   0.005%
          QB    ALA  110 - QG2   VAL   41  15.08 +/- 1.67   0.616% *  0.2736% (0.98  1.00   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - QG2   VAL   41   9.44 +/- 1.81   2.460% *  0.0622% (0.22  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG2   VAL   41  15.08 +/- 2.77   0.903% *  0.0431% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 4 structures by 0.72 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.00 +/- 1.65 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.06 A violated in 20 structures by 7.94 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.67, residual support = 76.1:
      O   HN    VAL   41 - HB    VAL   41   3.13 +/- 0.48 100.000% *100.0000% (0.47  10.0   4.67  76.10) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.95, support = 2.77, residual support = 25.7:
          HN    LEU   98 - QG1   VAL   41   5.16 +/- 1.04  45.668% * 96.5453% (0.98   2.81  26.26) =  96.773%  kept
          HN    LEU   98 - QD2   LEU  104   4.97 +/- 1.08  49.283% *  2.9292% (0.05   1.59  10.11) =   3.169%  kept
          HN    LEU   98 - QG2   VAL   18  13.37 +/- 3.88   5.048% *  0.5255% (0.75   0.02   0.02) =   0.058%
    Distance limit 3.81 A violated in 1 structures by 0.51 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.553, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.69 +/- 2.11  32.314% * 34.1212% (0.66   0.02   0.02) =  43.780%  kept
          HN    LYS+  66 - HB    VAL   41  14.00 +/- 1.67  25.823% * 29.5320% (0.57   0.02   0.02) =  30.280%  kept
          QE    PHE   59 - HB    VAL   41  13.91 +/- 2.97  29.727% * 12.0603% (0.23   0.02   0.02) =  14.235%  kept
          HN    LYS+  81 - HB    VAL   41  18.52 +/- 3.34  12.137% * 24.2865% (0.47   0.02   0.02) =  11.704%  kept
    Distance limit 3.75 A violated in 20 structures by 6.65 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.979, support = 5.3, residual support = 28.7:
      O   HN    VAL   42 - HA    VAL   41   2.28 +/- 0.10  89.273% * 99.1012% (0.98  10.0   5.31  28.76) =  99.922%  kept
          HN    LEU   73 - HA    VAL   41   6.92 +/- 2.09   8.417% *  0.8063% (0.98   1.0   0.16   0.02) =   0.077%
          HN    ILE   19 - HA    VAL   41  12.73 +/- 6.05   1.790% *  0.0613% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HA    VAL   41  13.47 +/- 1.09   0.520% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.01, residual support = 39.2:
      O   HN    VAL   43 - HA    VAL   42   2.24 +/- 0.08  99.767% * 99.9765% (0.90  10.0   5.01  39.18) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.41 +/- 2.16   0.233% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.717, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - QG2   VAL   41   9.74 +/- 2.20  22.551% * 46.1912% (0.98   0.02   0.02) =  37.939%  kept
          QD2   LEU   31 - QG2   VAL   41   5.59 +/- 2.68  56.259% * 16.0745% (0.34   0.02   0.02) =  32.938%  kept
          QG2   VAL   83 - QG2   VAL   41   8.95 +/- 2.68  21.190% * 37.7342% (0.80   0.02   0.02) =  29.123%  kept
    Distance limit 3.04 A violated in 10 structures by 2.03 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 = 0.826, support = 4.06, residual support = 28.1:
        T HB    VAL   41 - HB    VAL   42   5.66 +/- 0.62  24.565% * 95.0132% (0.84 10.00   4.14  28.76) =  97.412%  kept
          HB2   LEU   71 - HB    VAL   42   6.76 +/- 2.76  23.333% *  2.4451% (0.42  1.00   1.02   1.45) =   2.381%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.23 +/- 1.37   2.398% *  0.6369% (0.56 10.00   0.02   0.02) =   0.064%
          HG12  ILE  103 - HB    VAL   42   9.65 +/- 1.43   7.197% *  0.0854% (0.75  1.00   0.02   0.02) =   0.026%
          HB3   PRO   52 - HB2   LYS+ 112   9.43 +/- 3.84  13.025% *  0.0421% (0.37  1.00   0.02   0.02) =   0.023%
          HG2   PRO   93 - HB2   LYS+ 112   9.54 +/- 3.04   7.953% *  0.0603% (0.53  1.00   0.02   0.02) =   0.020%
          QB    LYS+  66 - HB    VAL   42  10.02 +/- 1.74   4.859% *  0.0982% (0.87  1.00   0.02   0.02) =   0.020%
        T HB    VAL   41 - HB2   LYS+ 112  21.36 +/- 2.21   0.421% *  0.6705% (0.59 10.00   0.02   0.02) =   0.012%
          QB    LYS+  65 - HB    VAL   42  10.07 +/- 1.32   4.533% *  0.0518% (0.46  1.00   0.02   0.02) =   0.010%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.11 +/- 1.75   0.367% *  0.4495% (0.40 10.00   0.02   0.02) =   0.007%
          HG2   PRO   93 - HB    VAL   42  14.81 +/- 2.22   1.797% *  0.0854% (0.75  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HB2   LYS+ 112  14.95 +/- 3.10   1.729% *  0.0693% (0.61  1.00   0.02   0.02) =   0.005%
          HG    LEU  123 - HB    VAL   42  16.94 +/- 4.21   1.649% *  0.0597% (0.53  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HB2   LYS+ 112  13.70 +/- 2.85   2.181% *  0.0421% (0.37  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - HB2   LYS+ 112  13.61 +/- 2.46   2.445% *  0.0366% (0.32  1.00   0.02   0.02) =   0.004%
          HB3   PRO   52 - HB    VAL   42  19.26 +/- 2.77   0.648% *  0.0597% (0.53  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HB2   LYS+ 112  19.96 +/- 2.12   0.494% *  0.0603% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   LYS+ 112  21.32 +/- 3.51   0.408% *  0.0338% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 10 structures by 1.39 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.05, residual support = 82.5:
          HN    VAL   42 - QG2   VAL   42   3.16 +/- 0.40  68.780% * 79.2200% (0.64   5.36  89.24) =  92.382%  kept
          HN    LEU   73 - QG2   VAL   42   5.90 +/- 1.66  21.908% * 20.4196% (0.64   1.38   0.64) =   7.585%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.44 +/- 1.67   5.904% *  0.2958% (0.64   0.02   0.02) =   0.030%
          HN    ILE   19 - QG2   VAL   42  10.86 +/- 3.58   3.408% *  0.0647% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.1, residual support = 39.2:
          HN    VAL   43 - QG2   VAL   42   3.65 +/- 0.53 100.000% *100.0000% (0.72   5.10  39.18) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.955, support = 3.97, residual support = 87.8:
      O T HA    VAL   42 - QG1   VAL   42   2.53 +/- 0.29  67.103% * 91.4864% (0.97  10.0 10.00   4.00  89.24) =  98.139%  kept
          HA    THR   46 - QB    ALA   47   3.82 +/- 0.11  20.906% *  5.4612% (0.44   1.0  1.00   2.63  10.73) =   1.825%  kept
        T HA    GLN   17 - QG1   VAL   42  12.79 +/- 4.18   1.072% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.010%
        T HA    PHE   55 - QB    ALA   47  10.84 +/- 1.59   1.178% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.008%
        T HA    VAL   42 - QB    ALA   47  13.59 +/- 1.28   0.564% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T HA    PHE   55 - QG1   VAL   42  13.89 +/- 1.63   0.472% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   17 - QB    ALA   47  19.75 +/- 5.46   0.272% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    ALA   47   8.44 +/- 1.73   2.843% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG1   VAL   42   9.59 +/- 0.78   1.493% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  10.37 +/- 3.63   2.314% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG1   VAL   42  13.73 +/- 0.72   0.463% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  12.69 +/- 2.16   0.779% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  14.10 +/- 1.28   0.456% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  24.56 +/- 1.53   0.084% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.89, support = 1.52, residual support = 3.71:
          QD    PHE   60 - QG1   VAL   42   6.03 +/- 1.80  25.747% * 88.2366% (0.93   1.63   4.03) =  92.074%  kept
          QE    PHE   59 - QG1   VAL   42   7.08 +/- 2.82  24.398% *  6.0453% (0.33   0.32   0.02) =   5.978%  kept
          QD    PHE   60 - QB    ALA   47   8.81 +/- 2.58  14.990% *  0.9331% (0.80   0.02   0.02) =   0.567%  kept
          HN    LYS+  66 - QG1   VAL   42   8.10 +/- 1.56  14.567% *  0.9352% (0.81   0.02   0.02) =   0.552%  kept
          QE    PHE   59 - QB    ALA   47  10.93 +/- 2.00   6.405% *  1.6089% (0.28   0.10   0.02) =   0.418%  kept
          HN    LYS+  81 - QB    ALA   47  11.71 +/- 2.87   6.799% *  0.6642% (0.57   0.02   0.02) =   0.183%  kept
          HN    LYS+  66 - QB    ALA   47  14.21 +/- 3.25   4.921% *  0.8076% (0.70   0.02   0.02) =   0.161%  kept
          HN    LYS+  81 - QG1   VAL   42  14.78 +/- 1.73   2.173% *  0.7691% (0.66   0.02   0.02) =   0.068%
    Distance limit 3.07 A violated in 10 structures by 1.36 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   3.63 +/- 0.27  52.064% * 86.3531% (0.77   5.45  89.24) =  92.142%  kept
          HN    LEU   73 - QG1   VAL   42   5.33 +/- 1.88  30.643% * 12.3799% (0.77   0.78   0.64) =   7.775%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.28 +/- 1.28   6.037% *  0.3169% (0.77   0.02   0.02) =   0.039%
          HN    LYS+ 106 - QB    ALA   47  14.86 +/- 3.17   4.283% *  0.2737% (0.67   0.02   0.02) =   0.024%
          HN    LEU   73 - QB    ALA   47  13.14 +/- 1.50   1.464% *  0.2737% (0.67   0.02   0.02) =   0.008%
          HN    ILE   19 - QG1   VAL   42  10.77 +/- 3.68   3.786% *  0.0693% (0.17   0.02   0.02) =   0.005%
          HN    VAL   42 - QB    ALA   47  14.37 +/- 1.10   0.903% *  0.2737% (0.67   0.02   0.02) =   0.005%
          HN    ILE   19 - QB    ALA   47  17.58 +/- 5.18   0.819% *  0.0599% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.1, residual support = 39.2:
          HN    VAL   43 - QG1   VAL   42   2.87 +/- 0.41  95.269% * 99.3911% (0.40   5.10  39.18) =  99.990%  kept
          HN    VAL   43 - QB    ALA   47  12.15 +/- 1.31   1.631% *  0.3364% (0.34   0.02   0.02) =   0.006%
          HN    VAL   24 - QB    ALA   47  16.24 +/- 3.67   2.019% *  0.1263% (0.13   0.02   0.02) =   0.003%
          HN    VAL   24 - QG1   VAL   42  13.27 +/- 1.91   1.081% *  0.1462% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.422, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   7.43 +/- 1.14  80.570% * 53.6601% (0.43   0.02   0.02) =  82.764%  kept
          HN    LEU  104 - QB    ALA   47  16.90 +/- 2.92  19.430% * 46.3399% (0.37   0.02   0.02) =  17.236%  kept
    Distance limit 3.83 A violated in 20 structures by 3.46 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.71, residual support = 15.6:
          HN    TRP   49 - QB    ALA   47   2.67 +/- 0.48  88.249% * 95.0398% (0.29   3.72  15.59) =  99.857%  kept
          HD22  ASN   69 - QG1   VAL   42   9.45 +/- 1.96   6.188% *  1.0600% (0.61   0.02   0.02) =   0.078%
          HE22  GLN   30 - QG1   VAL   42   9.36 +/- 1.71   3.080% *  0.9215% (0.53   0.02   0.02) =   0.034%
          HD22  ASN   69 - QB    ALA   47  19.08 +/- 3.51   1.179% *  1.3839% (0.79   0.02   0.02) =   0.019%
          HE22  GLN   30 - QB    ALA   47  17.90 +/- 2.86   0.608% *  1.2031% (0.69   0.02   0.02) =   0.009%
          HN    TRP   49 - QG1   VAL   42  14.44 +/- 1.31   0.695% *  0.3917% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.395, support = 2.26, residual support = 10.6:
      O   HN    ALA   47 - QB    ALA   47   2.43 +/- 0.17  76.825% * 91.0236% (0.39  10.0   2.29  10.75) =  98.213%  kept
          QD    PHE   95 - QG1   VAL   42   4.94 +/- 1.26  19.429% *  6.1372% (0.70   1.0   0.75   0.77) =   1.675%  kept
          QD    PHE   95 - QB    ALA   47   8.27 +/- 1.29   2.865% *  2.7695% (0.91   1.0   0.26   0.02) =   0.111%  kept
          HN    ALA   47 - QG1   VAL   42  11.18 +/- 0.88   0.881% *  0.0697% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 0.533, support = 4.08, residual support = 30.4:
          HB    VAL   42 - QG1   VAL   43   5.69 +/- 0.74  12.721% * 65.5727% (0.62  1.00   4.61  39.18) =  64.580%  kept
          HB3   ASP-  44 - QG1   VAL   43   5.99 +/- 0.99  13.902% * 28.2063% (0.34  1.00   3.63  16.35) =  30.360%  kept
        T HB3   LEU   73 - QG1   VAL   43   6.62 +/- 2.31  15.887% *  3.1668% (0.69 10.00   0.02   2.53) =   3.895%  kept
          HG    LEU   98 - QG1   VAL   43   6.10 +/- 2.32  18.012% *  0.2681% (0.58  1.00   0.02   0.02) =   0.374%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.85 +/- 2.30   9.840% *  0.3920% (0.85  1.00   0.02   0.02) =   0.299%  kept
          QB    ALA   84 - QG1   VAL   43   8.40 +/- 1.70   5.810% *  0.3167% (0.69  1.00   0.02   0.02) =   0.142%  kept
          HB3   PRO   93 - QG1   VAL   43   9.46 +/- 1.83   4.958% *  0.3318% (0.72  1.00   0.02   0.02) =   0.127%  kept
          HB3   LEU   80 - QG1   VAL   43   8.82 +/- 3.32   8.279% *  0.0820% (0.18  1.00   0.02   0.02) =   0.053%
          HB2   LEU   63 - QG1   VAL   43  10.06 +/- 1.70   4.105% *  0.1152% (0.25  1.00   0.02   0.02) =   0.037%
          HG3   LYS+ 102 - QG1   VAL   43  12.06 +/- 2.14   1.346% *  0.3318% (0.72  1.00   0.02   0.02) =   0.035%
          HG3   LYS+  65 - QG1   VAL   43  12.40 +/- 2.11   1.457% *  0.2846% (0.62  1.00   0.02   0.02) =   0.032%
          HG3   LYS+  33 - QG1   VAL   43  12.12 +/- 2.76   1.547% *  0.2513% (0.54  1.00   0.02   0.02) =   0.030%
          HB2   LYS+ 112 - QG1   VAL   43  14.85 +/- 1.65   0.748% *  0.3594% (0.78  1.00   0.02   0.02) =   0.021%
          QB    ALA  124 - QG1   VAL   43  17.31 +/- 2.82   0.568% *  0.2180% (0.47  1.00   0.02   0.02) =   0.010%
          QB    ALA   12 - QG1   VAL   43  16.38 +/- 3.08   0.820% *  0.1033% (0.22  1.00   0.02   0.02) =   0.007%
    Distance limit 3.35 A violated in 0 structures by 0.57 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.266, support = 1.54, residual support = 4.21:
        T HH2   TRP   27 - QG1   VAL   43   5.68 +/- 3.61  55.384% * 46.4004% (0.31 10.00   1.20   4.21) =  51.798%  kept
        T HZ3   TRP   27 - QG1   VAL   43   5.95 +/- 3.30  44.616% * 53.5996% (0.22 10.00   1.90   4.21) =  48.202%  kept
    Distance limit 3.01 A violated in 7 structures by 2.30 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.31, residual support = 61.0:
          HN    VAL   43 - QG1   VAL   43   2.59 +/- 0.79 100.000% *100.0000% (0.80   5.31  61.01) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.353, support = 3.53, residual support = 16.7:
          HN    ASP-  44 - QG2   VAL   43   3.53 +/- 0.49  41.964% * 70.0194% (0.39   3.88  16.35) =  80.538%  kept
          HN    ASN   28 - QD2   LEU   31   3.88 +/- 0.74  35.883% * 18.6517% (0.18   2.21  19.42) =  18.345%  kept
          HN    ASN   28 - QG2   VAL   43  10.63 +/- 3.54   3.670% * 10.5135% (0.63   0.36   0.02) =   1.058%  kept
          HN    GLU-  25 - QG2   VAL   43  12.70 +/- 3.21   1.605% *  0.3355% (0.36   0.02   0.02) =   0.015%
          HN    ASP-  44 - QD2   LEU   31   9.57 +/- 2.50   4.260% *  0.1036% (0.11   0.02   0.02) =   0.012%
          HN    ASN   69 - QD2   LEU   31  11.84 +/- 3.15   6.785% *  0.0624% (0.07   0.02   0.02) =   0.012%
          HN    ASN   69 - QG2   VAL   43  11.37 +/- 1.34   1.816% *  0.2175% (0.23   0.02   0.02) =   0.011%
          HN    GLU-  25 - QD2   LEU   31   7.72 +/- 0.76   4.017% *  0.0963% (0.10   0.02   0.02) =   0.011%
    Distance limit 3.45 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 = 4.22, residual support = 61.0:
      O   HN    VAL   43 - HB    VAL   43   2.94 +/- 0.44 100.000% *100.0000% (0.87  10.0   4.22  61.01) = 100.000%  kept
    Distance limit 3.53 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 = 15.6:
          HN    MET   96 - HB    VAL   43   4.60 +/- 0.91 100.000% *100.0000% (0.51   1.50  15.58) = 100.000%  kept
    Distance limit 3.80 A violated in 2 structures by 0.81 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.57, residual support = 18.3:
        T QD    PHE   45 - HB3   ASP-  44   4.72 +/- 0.32 100.000% *100.0000% (0.80 10.00   4.57  18.28) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.83 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 39.7:
      O   HN    ASP-  44 - HB3   ASP-  44   3.21 +/- 0.59  97.770% * 99.8560% (0.98  10.0   3.97  39.67) =  99.998%  kept
          HN    GLU-  25 - HB3   ASP-  44  17.63 +/- 2.33   0.995% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  16.00 +/- 2.27   1.234% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.888, support = 1.63, residual support = 3.38:
          HA    LYS+  74 - HB2   ASP-  44   5.37 +/- 1.24  84.216% * 31.5880% (0.92  1.00   2.08   4.74) =  71.128%  kept
        T HA    MET   92 - HB2   ASP-  44  11.01 +/- 1.64  15.784% * 68.4120% (0.80 10.00   0.52   0.02) =  28.872%  kept
    Distance limit 4.03 A violated in 10 structures by 1.38 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.13, residual support = 39.7:
      O   HN    ASP-  44 - HB2   ASP-  44   2.79 +/- 0.40  98.429% * 99.8560% (0.98  10.0   3.13  39.67) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  17.18 +/- 2.20   0.667% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  15.45 +/- 2.05   0.904% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.615, support = 3.89, residual support = 33.3:
      O   HN    ASP-  44 - HA    ASP-  44   2.88 +/- 0.06  33.749% * 81.9551% (0.80  10.0   3.82  39.67) =  70.246%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.30 +/- 0.06  65.358% * 17.9245% (0.18  10.0   4.07  18.28) =  29.753%  kept
          HN    ALA  110 - HA    ASP-  44  12.16 +/- 2.68   0.715% *  0.0349% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    ASP-  44  17.60 +/- 2.03   0.178% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 4.23:
          HA    PHE   95 - HA    ASP-  44   3.06 +/- 1.14 100.000% *100.0000% (0.87   2.00   4.23) = 100.000%  kept
    Distance limit 3.68 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.1:
        T HB    THR   94 - HB2   PHE   45   3.30 +/- 0.54  76.249% * 98.9931% (0.65 10.00   2.96  27.09) =  99.970%  kept
          HA    LYS+  65 - HB2   PHE   45  14.82 +/- 4.40   6.946% *  0.1413% (0.92  1.00   0.02   0.02) =   0.013%
          QB    SER   48 - HB2   PHE   45  10.21 +/- 0.89   3.217% *  0.1169% (0.76  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - HB2   PHE   45  11.23 +/- 1.18   2.529% *  0.1477% (0.97  1.00   0.02   0.02) =   0.005%
          HA    ALA   88 - HB2   PHE   45   9.87 +/- 1.44   4.743% *  0.0268% (0.18  1.00   0.02   0.34) =   0.002%
          HD2   PRO   52 - HB2   PHE   45  12.20 +/- 2.33   2.423% *  0.0522% (0.34  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HB2   PHE   45  14.57 +/- 1.34   1.155% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  24.15 +/- 6.49   0.564% *  0.1477% (0.97  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PHE   45  20.09 +/- 1.85   0.383% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   PHE   45  14.58 +/- 1.14   1.063% *  0.0382% (0.25  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HB2   PHE   45  20.23 +/- 1.62   0.370% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  21.93 +/- 3.09   0.359% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.429, support = 2.21, residual support = 9.82:
          QG2   THR   77 - HB2   PHE   45   3.70 +/- 1.99  65.689% * 79.4665% (0.45   2.27  10.52) =  93.184%  kept
          QB    ALA   88 - HB2   PHE   45   8.60 +/- 1.58  22.001% * 16.9091% (0.15   1.40   0.34) =   6.641%  kept
          QG2   ILE   56 - HB2   PHE   45  10.80 +/- 2.45   9.534% *  0.7006% (0.45   0.02   0.02) =   0.119%  kept
          QG2   THR   23 - HB2   PHE   45  16.00 +/- 2.34   1.054% *  1.4783% (0.95   0.02   0.02) =   0.028%
          QB    ALA   34 - HB2   PHE   45  15.36 +/- 1.54   1.382% *  1.0109% (0.65   0.02   0.02) =   0.025%
          HG3   LYS+  38 - HB2   PHE   45  24.50 +/- 1.28   0.340% *  0.4345% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 2 structures by 0.28 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 0.75, residual support = 12.6:
        T QG2   ILE   89 - HB2   PHE   45   3.60 +/- 1.28  80.836% * 99.8023% (1.00 10.00   0.75  12.55) =  99.968%  kept
          QG1   VAL   83 - HB2   PHE   45   8.32 +/- 1.36  15.961% *  0.1510% (0.57  1.00   0.02   3.18) =   0.030%
          QD1   LEU  104 - HB2   PHE   45  13.88 +/- 1.91   3.203% *  0.0467% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 2 structures by 0.43 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.877, support = 2.53, residual support = 9.72:
          QG2   THR   77 - HB3   PHE   45   3.44 +/- 1.77  68.534% * 78.6639% (0.87   2.69  10.52) =  92.140%  kept
          QB    ALA   88 - HB3   PHE   45   8.44 +/- 1.78  23.158% * 19.7919% (0.99   0.59   0.34) =   7.834%  kept
          HB3   LEU   80 - HB3   PHE   45   9.64 +/- 2.00   5.930% *  0.1333% (0.20   0.02   0.02) =   0.014%
          HG2   LYS+  99 - HB3   PHE   45  19.63 +/- 1.85   0.598% *  0.4356% (0.65   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HB3   PHE   45  14.83 +/- 2.47   0.885% *  0.2527% (0.38   0.02   0.02) =   0.004%
          HB2   LEU   31 - HB3   PHE   45  18.22 +/- 3.33   0.642% *  0.2079% (0.31   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HB3   PHE   45  23.84 +/- 1.24   0.253% *  0.5146% (0.76   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.18, residual support = 12.6:
        T QG2   ILE   89 - HB3   PHE   45   3.36 +/- 0.93 100.000% *100.0000% (0.69 10.00   1.18  12.55) = 100.000%  kept
    Distance limit 3.62 A violated in 1 structures by 0.27 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.35, residual support = 79.8:
      O   QD    PHE   45 - HB2   PHE   45   2.53 +/- 0.16  98.851% * 99.6976% (0.65  10.0   4.35  79.82) =  99.999%  kept
          HD2   HIS  122 - HB2   PHE   45  16.70 +/- 1.88   0.413% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB2   PHE   45  18.64 +/- 1.96   0.295% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  22.48 +/- 6.34   0.440% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.724, support = 3.62, residual support = 79.5:
      O   HN    PHE   45 - HB2   PHE   45   2.80 +/- 0.52  88.510% * 95.0644% (0.73  10.0   3.62  79.82) =  99.527%  kept
          HN    ASP-  44 - HB2   PHE   45   6.55 +/- 0.40   8.287% *  4.7821% (0.22   1.0   3.28  18.28) =   0.469%  kept
          HN    ALA  110 - HB2   PHE   45  11.12 +/- 2.97   2.709% *  0.1209% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB2   PHE   45  18.88 +/- 3.19   0.494% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.06, residual support = 79.8:
      O   QD    PHE   45 - HB3   PHE   45   2.54 +/- 0.18  98.787% * 99.6976% (0.65  10.0   5.06  79.82) =  99.999%  kept
          HD2   HIS  122 - HB3   PHE   45  17.17 +/- 2.32   0.461% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB3   PHE   45  19.16 +/- 2.27   0.286% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  22.64 +/- 6.46   0.466% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.723, support = 3.94, residual support = 79.4:
      O   HN    PHE   45 - HB3   PHE   45   3.18 +/- 0.55  85.252% * 95.0653% (0.73  10.0   3.95  79.82) =  99.362%  kept
          HN    ASP-  44 - HB3   PHE   45   6.64 +/- 0.48  10.806% *  4.7812% (0.22   1.0   3.28  18.28) =   0.633%  kept
          HN    ALA  110 - HB3   PHE   45  11.74 +/- 2.95   3.154% *  0.1209% (0.92   1.0   0.02   0.02) =   0.005%
          HN    GLU-  25 - HB3   PHE   45  18.65 +/- 3.53   0.788% *  0.0326% (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 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.03, residual support = 3.75:
          HA    ASP-  76 - QG2   THR   46   5.26 +/- 1.97 100.000% *100.0000% (0.41   1.03   3.75) = 100.000%  kept
    Distance limit 3.40 A violated in 9 structures by 2.01 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 3.32, residual support = 33.9:
          HN    THR   46 - QG2   THR   46   2.43 +/- 0.29  82.754% * 89.5097% (0.76   3.34  34.07) =  99.473%  kept
          HN    LYS+  74 - QG2   THR   46   7.96 +/- 1.80   3.725% *  9.0531% (1.00   0.26   0.26) =   0.453%  kept
          HN    MET   92 - QG2   THR   46   7.18 +/- 2.21  12.059% *  0.3973% (0.57   0.02   0.02) =   0.064%
          HN    LYS+ 112 - QG2   THR   46  11.50 +/- 2.44   1.212% *  0.4539% (0.65   0.02   0.02) =   0.007%
          HN    MET   11 - QG2   THR   46  23.32 +/- 4.79   0.250% *  0.5861% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.417, support = 2.54, residual support = 7.81:
          HN    ALA   47 - QG2   THR   46   3.60 +/- 0.57  69.366% * 52.4852% (0.25   3.20  10.73) =  71.438%  kept
          QD    PHE   95 - QG2   THR   46   6.22 +/- 1.86  30.634% * 47.5148% (0.84   0.87   0.51) =  28.562%  kept
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.305, support = 0.816, residual support = 0.39:
          QB    CYS   50 - QG2   THR   46   5.93 +/- 1.89  34.235% * 59.5271% (0.31   0.99   0.49) =  59.317%  kept
          QE    LYS+  74 - QG2   THR   46   4.95 +/- 2.50  41.262% * 32.2779% (0.28   0.59   0.26) =  38.766%  kept
          HB3   ASN   69 - QG2   THR   46  15.06 +/- 3.33  12.393% *  2.6859% (0.69   0.02   0.02) =   0.969%  kept
          HB2   PHE   72 - QG2   THR   46  10.10 +/- 1.24   5.719% *  3.9015% (1.00   0.02   0.02) =   0.649%  kept
          HA    ALA   64 - QG2   THR   46   9.63 +/- 2.14   6.391% *  1.6075% (0.41   0.02   0.02) =   0.299%  kept
    Distance limit 3.61 A violated in 6 structures by 0.73 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.18:
      O   HN    SER   48 - HA    SER   48   2.76 +/- 0.06  98.678% * 99.9333% (0.49  10.0   2.61   9.18) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  17.19 +/- 2.61   0.599% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  20.67 +/- 3.38   0.723% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.41, residual support = 9.18:
      O   HN    SER   48 - QB    SER   48   2.34 +/- 0.16  98.922% * 99.9496% (0.95  10.0   2.41   9.18) = 100.000%  kept
          HN    SER   48 - QB    SER   85  14.30 +/- 3.17   0.777% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  18.24 +/- 2.22   0.301% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.924, support = 4.1, residual support = 90.0:
      O   HN    TRP   49 - HB2   TRP   49   3.58 +/- 0.11  50.524% * 97.0215% (0.95  10.0   4.11  92.42) =  97.218%  kept
          HN    CYS   50 - HB2   TRP   49   3.63 +/- 0.84  48.973% *  2.8635% (0.15   1.0   3.62   5.25) =   2.781%  kept
          HE22  GLN   30 - HB2   TRP   49  25.33 +/- 4.02   0.165% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  26.22 +/- 5.17   0.338% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 5.05, residual support = 92.4:
      O   HD1   TRP   49 - HB2   TRP   49   3.79 +/- 0.26  96.282% * 99.6923% (0.80  10.0   5.05  92.42) =  99.997%  kept
          HD2   HIS   22 - HB2   TRP   49  22.88 +/- 6.60   1.132% *  0.1149% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   TRP   49  21.00 +/- 4.69   1.340% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   TRP   49  22.69 +/- 5.87   1.091% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  34.05 +/- 3.69   0.155% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.782, support = 3.98, residual support = 91.3:
      O   HN    TRP   49 - HB3   TRP   49   2.84 +/- 0.43  69.108% * 97.0710% (0.79  10.0   3.98  92.42) =  98.737%  kept
          HN    CYS   50 - HB3   TRP   49   4.07 +/- 0.51  30.488% *  2.8140% (0.13   1.0   3.55   5.25) =   1.263%  kept
          HE22  GLN   30 - HB3   TRP   49  25.08 +/- 4.17   0.163% *  0.0947% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  26.19 +/- 5.18   0.242% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 5.0, residual support = 92.4:
      O   HD1   TRP   49 - HB3   TRP   49   2.92 +/- 0.19  97.577% * 99.6923% (0.67  10.0   5.00  92.42) =  99.998%  kept
          HD2   HIS   22 - HB3   TRP   49  22.80 +/- 6.95   0.579% *  0.1149% (0.77   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   49  21.03 +/- 4.97   1.110% *  0.0558% (0.37   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   TRP   49  22.41 +/- 6.25   0.649% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.64 +/- 3.86   0.085% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.71, support = 0.02, residual support = 2.28:
          HB2   PRO   52 - HB3   TRP   49   9.78 +/- 1.19  66.953% * 45.9163% (0.72   0.02   3.04) =  74.688%  kept
          HB2   ASP-  62 - HB3   TRP   49  18.60 +/- 4.18  20.450% * 45.9163% (0.72   0.02   0.02) =  22.813%  kept
          HG2   MET   96 - HB3   TRP   49  19.58 +/- 3.23  12.597% *  8.1674% (0.13   0.02   0.02) =   2.500%  kept
    Distance limit 3.93 A violated in 20 structures by 5.62 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.534, support = 0.02, residual support = 0.02:
          QE    LYS+ 112 - HB3   TRP   49  12.55 +/- 3.87  31.506% * 16.1708% (0.47   0.02   0.02) =  29.871%  kept
          HB3   PHE   45 - HB3   TRP   49  12.46 +/- 1.14  25.705% * 16.1708% (0.47   0.02   0.02) =  24.371%  kept
          HB    VAL  107 - HB3   TRP   49  17.31 +/- 3.32  14.191% * 27.0190% (0.79   0.02   0.02) =  22.481%  kept
          QG    GLU-  79 - HB3   TRP   49  15.45 +/- 4.67  24.879% * 13.9029% (0.41   0.02   0.02) =  20.280%  kept
          QG    GLN   32 - HB3   TRP   49  29.13 +/- 3.97   1.933% * 22.8711% (0.67   0.02   0.02) =   2.593%  kept
          HG2   GLU-  29 - HB3   TRP   49  30.31 +/- 5.18   1.785% *  3.8655% (0.11   0.02   0.02) =   0.404%  kept
    Distance limit 3.99 A violated in 20 structures by 5.35 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 3.54, residual support = 6.65:
          QB    ALA   47 - QB    CYS   50   4.11 +/- 0.56  76.463% * 98.7973% (0.65   3.54   6.65) =  99.901%  kept
          QB    ALA   64 - QB    CYS   50  11.13 +/- 1.88   5.567% *  0.5574% (0.65   0.02   0.02) =   0.041%
          HG2   LYS+ 112 - QB    CYS   50  10.80 +/- 2.71  14.370% *  0.1918% (0.22   0.02   0.02) =   0.036%
          QG1   VAL   42 - QB    CYS   50  12.24 +/- 1.58   3.600% *  0.4534% (0.53   0.02   0.02) =   0.022%
    Distance limit 3.63 A violated in 1 structures by 0.56 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.982, support = 1.54, residual support = 6.62:
        T HB2   CYS   53 - QB    CYS   50   4.01 +/- 1.79  56.436% * 89.9389% (1.00 10.00   1.50   7.02) =  94.113%  kept
          HD3   PRO   52 - QB    CYS   50   5.16 +/- 1.06  32.381% *  9.7850% (0.73  1.00   2.24   0.12) =   5.875%  kept
          HD2   PRO   58 - QB    CYS   50  10.30 +/- 2.87   8.964% *  0.0585% (0.49  1.00   0.02   0.02) =   0.010%
          HA    VAL   83 - QB    CYS   50  16.72 +/- 2.44   0.804% *  0.0494% (0.41  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QB    CYS   50  22.70 +/- 3.34   0.407% *  0.0962% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    CYS   50  18.50 +/- 3.18   0.796% *  0.0268% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.02 +/- 2.60   0.212% *  0.0451% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 1.62, residual support = 7.31:
      O   HN    CYS   50 - QB    CYS   50   2.95 +/- 0.39  75.990% * 88.4580% (0.80  10.0   1.58   7.39) =  96.246%  kept
          HN    TRP   49 - QB    CYS   50   4.64 +/- 0.28  22.874% * 11.4595% (0.65   1.0   2.54   5.25) =   3.753%  kept
          HN    VAL   83 - QB    CYS   50  16.28 +/- 2.82   0.698% *  0.0477% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  20.09 +/- 3.34   0.438% *  0.0348% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  96.549% * 97.0144% (0.87  10.0 10.00   2.81  10.20) =  99.968%  kept
        T QB    SER   48 - HA1   GLY   51   8.38 +/- 1.45   2.512% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.030%
        T QB    SER  117 - HA1   GLY   51  17.33 +/- 1.91   0.118% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   85 - HA1   GLY   51  20.81 +/- 2.97   0.072% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  15.60 +/- 1.86   0.156% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  23.59 +/- 4.37   0.108% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  21.71 +/- 3.66   0.099% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  18.96 +/- 3.95   0.125% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  14.47 +/- 2.14   0.227% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  28.48 +/- 5.64   0.034% *  0.0724% (0.65   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 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.971, support = 3.24, residual support = 36.0:
          HB3   CYS   53 - HB2   PRO   52   6.49 +/- 0.75  14.641% * 74.9530% (0.99   4.66  55.65) =  64.023%  kept
          QB    PHE   55 - HB2   PRO   52   4.51 +/- 0.97  38.936% *  9.3959% (0.92   0.63   0.43) =  21.343%  kept
          HD2   ARG+  54 - HB2   PRO   52   7.94 +/- 1.78  17.887% * 13.4769% (0.97   0.86   1.97) =  14.064%  kept
          HD3   PRO   93 - HB2   PRO   52  10.98 +/- 5.51  16.581% *  0.3179% (0.98   0.02   0.02) =   0.308%  kept
          HD3   PRO   93 - HG2   MET   96  13.40 +/- 1.85   3.856% *  0.8887% (0.29   0.19   0.02) =   0.200%  kept
          HB2   PHE   59 - HB2   PRO   52  12.28 +/- 2.12   2.017% *  0.2228% (0.69   0.02   0.02) =   0.026%
          HD3   PRO   68 - HB2   PRO   52  21.31 +/- 4.53   0.532% *  0.3130% (0.97   0.02   0.02) =   0.010%
          HB3   CYS   53 - HG2   MET   96  16.59 +/- 2.85   1.358% *  0.0944% (0.29   0.02   0.02) =   0.007%
          HD3   PRO   68 - HG2   MET   96  15.94 +/- 2.79   1.245% *  0.0919% (0.28   0.02   0.02) =   0.007%
          HB2   PHE   59 - HG2   MET   96  14.83 +/- 2.39   1.604% *  0.0654% (0.20   0.02   0.02) =   0.006%
          QB    PHE   55 - HG2   MET   96  16.91 +/- 2.09   0.920% *  0.0879% (0.27   0.02   0.02) =   0.005%
          HD2   ARG+  54 - HG2   MET   96  21.62 +/- 2.66   0.421% *  0.0919% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.321, support = 2.37, residual support = 23.1:
          HB3   CYS   53 - HB3   PRO   52   6.21 +/- 0.84  18.345% * 42.5047% (0.25  1.00   4.95  55.65) =  40.361%  kept
          QB    PHE   55 - HB3   PRO   52   4.32 +/- 0.66  41.797% * 13.7048% (0.53  1.00   0.76   0.43) =  29.651%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.01 +/- 1.63  14.268% * 36.9772% (0.20 10.00   0.54   1.97) =  27.309%  kept
        T HD3   PRO   93 - HB3   PRO   52  10.59 +/- 5.06  17.158% *  2.8289% (0.41 10.00   0.02   0.02) =   2.512%  kept
        T HD3   PRO   68 - HB3   PRO   52  21.06 +/- 4.66   0.576% *  3.0850% (0.45 10.00   0.02   0.02) =   0.092%
          HB2   PHE   59 - HB3   PRO   52  12.02 +/- 1.74   2.180% *  0.5510% (0.80  1.00   0.02   0.02) =   0.062%
        T HD2   ARG+  54 - QB    LYS+  81  22.08 +/- 4.29   0.520% *  0.1562% (0.02 10.00   0.02   0.02) =   0.004%
          HB3   CYS   53 - QB    LYS+  81  17.83 +/- 3.92   2.325% *  0.0197% (0.03  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - QB    LYS+  81  14.89 +/- 2.03   1.180% *  0.0325% (0.05  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - QB    LYS+  81  21.88 +/- 3.17   0.602% *  0.0632% (0.09  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - QB    LYS+  81  19.70 +/- 3.39   0.707% *  0.0415% (0.06  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - QB    LYS+  81  22.22 +/- 2.60   0.342% *  0.0354% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.501, support = 0.02, residual support = 0.0246:
          HB3   LEU  115 - HB2   PRO   52  11.44 +/- 2.80   6.833% *  8.3913% (0.84   0.02   0.02) =  17.358%  kept
          QB    ALA  110 - HB2   PRO   52   9.67 +/- 4.71  13.993% *  2.7932% (0.28   0.02   0.02) =  11.833%  kept
          HG    LEU   73 - HB2   PRO   52  20.14 +/- 5.84   2.232% *  9.6953% (0.97   0.02   0.02) =   6.550%  kept
          QB    ALA   61 - HB2   PRO   52  12.26 +/- 1.68   4.167% *  4.8900% (0.49   0.02   0.02) =   6.168%  kept
          HG    LEU   40 - HG2   MET   96  10.28 +/- 1.69   7.790% *  2.4650% (0.25   0.02   0.02) =   5.814%  kept
          HG    LEU   73 - HG2   MET   96  11.70 +/- 2.99   6.730% *  2.8481% (0.28   0.02   0.02) =   5.803%  kept
          HG    LEU  115 - HB2   PRO   52  11.38 +/- 2.92   6.699% *  2.7932% (0.28   0.02   0.02) =   5.665%  kept
          QG    LYS+  66 - HB2   PRO   52  17.15 +/- 3.13   1.884% *  8.3913% (0.84   0.02   0.02) =   4.787%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.67 +/- 1.64   4.999% *  2.9446% (0.29   0.02   0.02) =   4.456%  kept
          HB3   LEU  115 - HG2   MET   96  12.69 +/- 2.54   4.440% *  2.4650% (0.25   0.02   0.13) =   3.313%  kept
          HG2   LYS+ 102 - HB2   PRO   52  29.05 +/- 5.02   1.074% * 10.0239% (1.00   0.02   0.02) =   3.260%  kept
          HG    LEU   40 - HB2   PRO   52  22.22 +/- 3.77   1.171% *  8.3913% (0.84   0.02   0.02) =   2.976%  kept
          QB    ALA   61 - HG2   MET   96  12.95 +/- 3.55   6.432% *  1.4365% (0.14   0.02   0.02) =   2.797%  kept
          QG    LYS+  66 - HG2   MET   96  15.35 +/- 3.30   3.645% *  2.4650% (0.25   0.02   0.02) =   2.720%  kept
          HG    LEU   67 - HG2   MET   96  14.27 +/- 2.63   4.120% *  2.1430% (0.21   0.02   0.02) =   2.673%  kept
          QB    ALA  120 - HB2   PRO   52  15.72 +/- 2.60   2.855% *  2.7932% (0.28   0.02   0.02) =   2.414%  kept
          HG    LEU   67 - HB2   PRO   52  21.17 +/- 3.55   1.076% *  7.2951% (0.73   0.02   0.02) =   2.376%  kept
          HB3   LEU   67 - HB2   PRO   52  20.97 +/- 3.62   1.047% *  6.4990% (0.65   0.02   0.02) =   2.059%  kept
          HB3   LEU   67 - HG2   MET   96  14.59 +/- 2.58   3.128% *  1.9091% (0.19   0.02   0.02) =   1.808%  kept
          HG    LEU   80 - HB2   PRO   52  21.23 +/- 4.45   1.435% *  3.1007% (0.31   0.02   0.02) =   1.347%  kept
          QB    ALA  110 - HG2   MET   96  12.68 +/- 1.43   4.115% *  0.8205% (0.08   0.02   0.02) =   1.022%  kept
          HG    LEU   80 - HG2   MET   96  14.51 +/- 3.64   3.000% *  0.9109% (0.09   0.02   0.02) =   0.827%  kept
          HG    LEU  115 - HG2   MET   96  13.61 +/- 2.64   3.003% *  0.8205% (0.08   0.02   0.13) =   0.746%  kept
          QB    ALA  120 - HG2   MET   96  15.50 +/- 2.31   1.934% *  0.8205% (0.08   0.02   0.02) =   0.480%  kept
          HG12  ILE   19 - HB2   PRO   52  23.88 +/- 3.90   0.644% *  2.2366% (0.22   0.02   0.02) =   0.436%  kept
          HG12  ILE   19 - HG2   MET   96  17.57 +/- 4.00   1.555% *  0.6570% (0.07   0.02   0.02) =   0.309%  kept
    Distance limit 3.20 A violated in 15 structures by 2.71 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.638, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HD2   PRO   52  16.10 +/- 4.08   9.144% * 14.5547% (0.18 10.00   0.02   0.02) =  16.878%  kept
          HB3   PRO   93 - HD2   PRO   52  10.24 +/- 3.39  23.880% *  5.3763% (0.65  1.00   0.02   0.02) =  16.283%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.58 +/- 4.31  15.184% *  6.9417% (0.84  1.00   0.02   0.02) =  13.368%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.77 +/- 3.90   7.570% * 12.8231% (0.15 10.00   0.02   0.02) =  12.311%  kept
          HB3   ASP-  44 - HD2   PRO   52  13.41 +/- 2.65   9.720% *  8.1462% (0.98  1.00   0.02   0.02) =  10.042%  kept
          HB2   LEU   63 - HD2   PRO   52  15.28 +/- 3.06   7.595% *  8.3107% (1.00  1.00   0.02   0.02) =   8.005%  kept
          QB    ALA  124 - HD2   PRO   52  21.61 +/- 4.38   7.328% *  7.4533% (0.90  1.00   0.02   0.02) =   6.927%  kept
          QB    ALA   84 - HD2   PRO   52  14.68 +/- 2.87   8.253% *  5.7087% (0.69  1.00   0.02   0.02) =   5.975%  kept
          HB3   LEU   80 - HD2   PRO   52  18.57 +/- 3.83   5.670% *  8.1462% (0.98  1.00   0.02   0.02) =   5.858%  kept
          HG    LEU   98 - HD2   PRO   52  23.05 +/- 4.34   2.487% *  6.6547% (0.80  1.00   0.02   0.02) =   2.099%  kept
          HB2   LEU   31 - HD2   PRO   52  26.71 +/- 3.06   1.272% *  7.4533% (0.90  1.00   0.02   0.02) =   1.203%  kept
          HG2   LYS+  99 - HD2   PRO   52  27.40 +/- 3.86   1.246% *  4.7052% (0.57  1.00   0.02   0.02) =   0.743%  kept
          HG2   LYS+  38 - HD2   PRO   52  31.58 +/- 3.20   0.652% *  3.7260% (0.45  1.00   0.02   0.02) =   0.308%  kept
    Distance limit 3.67 A violated in 20 structures by 4.19 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.8, support = 7.31, residual support = 222.8:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  93.322% * 97.1447% (0.80  10.0 10.00   7.32 223.01) =  99.920%  kept
        T HA    SER   48 - HD3   PRO   52   8.74 +/- 2.16   5.945% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.079%
        T HB2   SER   82 - HD3   PRO   52  23.65 +/- 3.42   0.051% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  23.14 +/- 3.89   0.065% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  19.83 +/- 4.19   0.103% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  23.86 +/- 5.01   0.055% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  15.72 +/- 2.04   0.167% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  19.29 +/- 3.84   0.120% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.51 +/- 3.43   0.019% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  19.95 +/- 3.29   0.083% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  30.41 +/- 3.76   0.022% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.43 +/- 3.33   0.017% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  28.61 +/- 5.41   0.031% *  0.0212% (0.18   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 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 7.3, residual support = 221.5:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  92.055% * 88.4384% (0.87  10.0 10.00   7.32 223.01) =  99.074%  kept
          HB2   CYS   53 - HD2   PRO   52   4.29 +/- 0.60   7.379% * 10.3038% (0.38   1.0  1.00   5.39  55.65) =   0.925%  kept
        T HB3   SER   82 - HD2   PRO   52  22.52 +/- 3.62   0.064% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HD2   PRO   52  15.71 +/- 3.76   0.209% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  26.45 +/- 4.30   0.045% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  15.89 +/- 2.22   0.169% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.89 +/- 3.47   0.032% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.33 +/- 3.19   0.028% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.15 +/- 3.01   0.020% *  0.0457% (0.45   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 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.3:
      O   HA1   GLY   51 - HD3   PRO   52   2.54 +/- 0.46  93.256% * 97.0168% (0.76  10.0  1.00   3.95  13.33) =  99.988%  kept
        T HA    ILE  103 - HD3   PRO   52  24.57 +/- 4.17   0.308% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  79 - HD3   PRO   52  19.34 +/- 5.16   1.757% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HD3   PRO   52  15.04 +/- 3.64   1.615% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   39 - HD3   PRO   52  28.58 +/- 3.13   0.091% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HD3   PRO   52  11.54 +/- 1.31   1.472% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD3   PRO   52  15.42 +/- 2.48   0.697% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  20.87 +/- 3.78   0.341% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  33.43 +/- 6.67   0.114% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  22.87 +/- 3.77   0.216% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  31.59 +/- 5.75   0.133% *  0.0251% (0.20   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 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.09, residual support = 13.3:
      O   HA1   GLY   51 - HD2   PRO   52   3.08 +/- 0.42  90.478% * 92.3448% (0.34  10.0  1.00   5.10  13.33) =  99.942%  kept
        T HA    ILE  103 - HD2   PRO   52  23.38 +/- 4.03   0.833% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.024%
        T HA    SER   85 - HD2   PRO   52  20.15 +/- 3.74   0.479% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.015%
          HB    THR   77 - HD2   PRO   52  14.02 +/- 3.39   2.133% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - HD2   PRO   52  14.07 +/- 2.42   1.366% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  79 - HD2   PRO   52  18.44 +/- 4.91   1.748% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   39 - HD2   PRO   52  27.25 +/- 3.08   0.168% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  104 - HD2   PRO   52  24.47 +/- 4.65   1.957% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HD2   PRO   52  22.03 +/- 3.77   0.367% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  32.48 +/- 6.50   0.144% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  30.57 +/- 5.62   0.165% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.05 +/- 4.02   0.163% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.0:
      O   HG2   PRO   52 - HD3   PRO   52   2.85 +/- 0.18  93.570% * 99.6603% (0.90  10.0   6.60 223.01) =  99.997%  kept
          HG2   MET   92 - HD3   PRO   52  12.96 +/- 3.83   2.764% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD3   PRO   52  18.81 +/- 5.46   1.852% *  0.0585% (0.53   1.0   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  13.97 +/- 2.55   1.000% *  0.0498% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   PRO   58 - HD3   PRO   52  15.66 +/- 1.23   0.618% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  29.73 +/- 5.10   0.137% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  34.88 +/- 3.95   0.058% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 223.0:
      O   HG3   PRO   52 - HD3   PRO   52   2.36 +/- 0.18  95.926% * 99.3977% (0.97  10.0  1.00   6.60 223.01) =  99.993%  kept
        T HB2   PRO   93 - HD3   PRO   52  11.13 +/- 4.13   2.751% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.006%
          HG2   PRO   58 - HD3   PRO   52  14.07 +/- 1.55   0.567% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HD3   PRO   52  24.04 +/- 5.78   0.299% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  33.82 +/- 7.36   0.100% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  30.08 +/- 4.47   0.066% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  23.65 +/- 4.99   0.212% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.34 +/- 3.14   0.079% *  0.0318% (0.31   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 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.567, support = 6.78, residual support = 222.2:
      O   HB3   PRO   52 - HD3   PRO   52   3.89 +/- 0.29  65.832% * 96.7749% (0.57  10.0   6.81 223.01) =  99.640%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.73 +/- 0.81  10.368% *  1.9810% (0.95   1.0   0.25   1.97) =   0.321%  kept
          HG    LEU  123 - HD3   PRO   52  20.84 +/- 4.94   7.677% *  0.0968% (0.57   1.0   0.02   0.02) =   0.012%
          QB    LYS+ 106 - HD3   PRO   52  17.78 +/- 3.52   3.573% *  0.1106% (0.65   1.0   0.02   0.02) =   0.006%
          HB3   ASP- 105 - HD3   PRO   52  21.64 +/- 4.15   2.462% *  0.1578% (0.92   1.0   0.02   0.02) =   0.006%
          HB3   GLN   90 - HD3   PRO   52  17.00 +/- 4.34   1.935% *  0.1306% (0.76   1.0   0.02   0.02) =   0.004%
          HB    ILE  103 - HD3   PRO   52  24.93 +/- 4.54   1.222% *  0.1650% (0.97   1.0   0.02   0.02) =   0.003%
          HG3   PRO   68 - HD3   PRO   52  23.22 +/- 5.81   0.917% *  0.1675% (0.98   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HD3   PRO   52  11.25 +/- 1.50   3.445% *  0.0426% (0.25   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HD3   PRO   52  18.83 +/- 4.22   1.150% *  0.1174% (0.69   1.0   0.02   0.02) =   0.002%
          HG12  ILE  103 - HD3   PRO   52  23.70 +/- 3.85   0.727% *  0.0528% (0.31   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  27.82 +/- 3.07   0.203% *  0.1428% (0.84   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.14 +/- 2.63   0.352% *  0.0338% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  32.02 +/- 3.38   0.137% *  0.0264% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 6.07, residual support = 55.6:
          HN    CYS   53 - HD3   PRO   52   3.68 +/- 0.02  97.231% * 99.2990% (0.61   6.07  55.65) =  99.994%  kept
          HN    LEU   80 - HD3   PRO   52  18.82 +/- 4.58   2.109% *  0.2023% (0.38   0.02   0.02) =   0.004%
          HN    THR   26 - HD3   PRO   52  26.26 +/- 4.71   0.438% *  0.3488% (0.65   0.02   0.02) =   0.002%
          HN    ALA   34 - HD3   PRO   52  29.32 +/- 3.23   0.222% *  0.1499% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 3.5, residual support = 13.3:
          HN    GLY   51 - HD3   PRO   52   3.03 +/- 1.13  99.089% * 99.4656% (0.92   3.50  13.33) =  99.995%  kept
          HN    VAL  107 - HD3   PRO   52  17.31 +/- 3.10   0.911% *  0.5344% (0.87   0.02   0.02) =   0.005%
    Distance limit 4.10 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 1.67, residual support = 1.88:
          HN    ARG+  54 - HD2   PRO   52   4.41 +/- 0.36  67.735% * 83.2738% (0.61   1.76   1.97) =  93.913%  kept
          HN    PHE   55 - HD2   PRO   52   6.03 +/- 0.30  27.545% * 13.0823% (0.73   0.23   0.43) =   6.000%  kept
          HN    ASP-  62 - HD2   PRO   52  14.31 +/- 1.97   2.791% *  1.4403% (0.92   0.02   0.02) =   0.067%
          HN    LEU   31 - HD2   PRO   52  25.93 +/- 3.32   0.472% *  1.5058% (0.97   0.02   0.02) =   0.012%
          HN    ALA   88 - HD2   PRO   52  19.21 +/- 3.81   1.214% *  0.3891% (0.25   0.02   0.02) =   0.008%
          HN    LYS+  38 - HD2   PRO   52  30.60 +/- 2.95   0.243% *  0.3088% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.59 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 55.7:
          HN    CYS   53 - HD2   PRO   52   2.31 +/- 0.07  99.140% * 99.4794% (0.61   8.19  55.65) =  99.999%  kept
          HN    LEU   80 - HD2   PRO   52  17.81 +/- 4.50   0.669% *  0.1503% (0.38   0.02   0.02) =   0.001%
          HN    THR   26 - HD2   PRO   52  25.21 +/- 4.39   0.124% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.03 +/- 3.09   0.067% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.926, support = 1.32, residual support = 5.78:
          QB    CYS   50 - HB3   CYS   53   4.57 +/- 1.70  52.229% * 65.5935% (0.92   1.46   7.02) =  81.377%  kept
          QE    LYS+  74 - HB3   CYS   53  10.24 +/- 3.77  23.274% * 33.1340% (0.95   0.72   0.34) =  18.318%  kept
          HB3   ASP-  78 - HB3   CYS   53  14.73 +/- 4.38  12.620% *  0.5510% (0.57   0.02   0.02) =   0.165%  kept
          HB3   ASN   69 - HB3   CYS   53  20.35 +/- 4.92  10.112% *  0.5510% (0.57   0.02   0.02) =   0.132%  kept
          HB2   PHE   72 - HB3   CYS   53  15.78 +/- 3.26   1.766% *  0.1705% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.14 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.922, support = 1.49, residual support = 6.88:
        T QB    CYS   50 - HB2   CYS   53   4.01 +/- 1.79  63.077% * 94.6304% (0.92 10.00   1.50   7.02) =  97.936%  kept
          QE    LYS+  74 - HB2   CYS   53  10.27 +/- 4.09  24.330% *  5.1364% (0.90  1.00   0.84   0.34) =   2.050%  kept
          HB3   ASN   69 - HB2   CYS   53  20.52 +/- 4.55   4.384% *  0.1319% (0.97  1.00   0.02   0.02) =   0.009%
          HB3   ASP-  78 - HB2   CYS   53  14.76 +/- 4.44   6.904% *  0.0239% (0.18  1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HB2   CYS   53  16.05 +/- 3.21   1.305% *  0.0774% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 3.81 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.929, support = 0.02, residual support = 0.0226:
        T QG2   ILE   56 - HA    CYS   53   4.35 +/- 1.64  62.647% * 41.1882% (0.95 10.00   0.02   0.02) =  94.701%  kept
          QB    ALA   91 - HA    CYS   53  11.72 +/- 2.96  13.873% *  3.9049% (0.90  1.00   0.02   0.02) =   1.988%  kept
        T HG13  ILE   19 - HA    CYS   53  20.92 +/- 3.52   1.281% * 24.6510% (0.57 10.00   0.02   0.02) =   1.159%  kept
          HG2   LYS+  74 - HA    CYS   53  13.14 +/- 4.63  15.163% *  1.4852% (0.34  1.00   0.02   0.34) =   0.827%  kept
        T HG    LEU   71 - HA    CYS   53  20.41 +/- 3.90   1.517% * 13.4389% (0.31 10.00   0.02   0.02) =   0.748%  kept
          QG2   THR   39 - HA    CYS   53  20.40 +/- 2.02   1.235% *  3.9049% (0.90  1.00   0.02   0.02) =   0.177%  kept
          QB    ALA   34 - HA    CYS   53  19.80 +/- 2.19   1.247% *  3.4865% (0.80  1.00   0.02   0.02) =   0.160%  kept
          QG2   THR   23 - HA    CYS   53  18.79 +/- 3.58   1.773% *  1.9521% (0.45  1.00   0.02   0.02) =   0.127%  kept
          HG3   LYS+  38 - HA    CYS   53  29.04 +/- 2.95   0.381% *  4.3541% (1.00  1.00   0.02   0.02) =   0.061%
          HG3   LYS+  99 - HA    CYS   53  24.10 +/- 3.51   0.883% *  1.6341% (0.38  1.00   0.02   0.02) =   0.053%
    Distance limit 3.34 A violated in 7 structures by 1.25 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.77, residual support = 44.2:
      O   HN    CYS   53 - HA    CYS   53   2.74 +/- 0.05  98.746% * 99.7861% (0.61  10.0   4.77  44.17) =  99.999%  kept
          HN    LEU   80 - HA    CYS   53  18.00 +/- 4.03   0.909% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HA    CYS   53  23.67 +/- 3.69   0.205% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.35 +/- 2.54   0.140% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 4.9, residual support = 44.2:
      O   HN    CYS   53 - HB2   CYS   53   2.58 +/- 0.49  98.861% * 99.7861% (0.61  10.0   4.90  44.17) =  99.999%  kept
          HN    LEU   80 - HB2   CYS   53  16.70 +/- 4.38   0.835% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HB2   CYS   53  23.25 +/- 3.88   0.177% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  25.41 +/- 2.45   0.127% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.954, support = 5.45, residual support = 31.0:
          HN    ARG+  54 - HB2   CYS   53   3.52 +/- 0.33  72.004% * 94.3608% (0.97   5.52  31.55) =  98.369%  kept
          HN    PHE   55 - HB2   CYS   53   5.20 +/- 0.24  23.212% *  4.7864% (0.31   0.88   0.02) =   1.609%  kept
          HN    ASP-  62 - HB2   CYS   53  10.79 +/- 1.98   4.236% *  0.3349% (0.95   0.02   0.02) =   0.021%
          HN    LEU   31 - HB2   CYS   53  23.54 +/- 2.78   0.376% *  0.3175% (0.90   0.02   0.02) =   0.002%
          HN    LYS+  38 - HB2   CYS   53  27.78 +/- 2.27   0.172% *  0.2004% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.52, residual support = 31.5:
          HN    ARG+  54 - HB3   CYS   53   3.88 +/- 0.45  87.222% * 99.1969% (0.87   5.52  31.55) =  99.967%  kept
          HN    ASP-  62 - HB3   CYS   53  10.41 +/- 2.23  11.826% *  0.2179% (0.53   0.02   0.02) =   0.030%
          HN    LYS+  38 - HB3   CYS   53  27.54 +/- 2.64   0.306% *  0.3996% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   CYS   53  23.32 +/- 2.86   0.646% *  0.1856% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 4.9, residual support = 168.6:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.90 +/- 0.15  87.289% * 97.3094% (0.87  10.0 10.00   4.91 169.22) =  99.663%  kept
          QB    ALA   57 - HD2   ARG+  54   6.53 +/- 1.40  11.186% *  2.5651% (0.20   1.0  1.00   2.31   0.52) =   0.337%  kept
          HB3   LEU  123 - HD2   ARG+  54  20.26 +/- 4.41   0.541% *  0.0503% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   ARG+  54  16.93 +/- 3.63   0.759% *  0.0250% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.22 +/- 4.53   0.225% *  0.0503% (0.45   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 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.63, residual support = 168.4:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  94.003% * 80.9977% (0.87  10.0 10.00   3.63 169.22) =  99.489%  kept
          QB    PHE   55 - HD3   ARG+  54   6.48 +/- 1.05   3.121% *  6.7787% (0.49   1.0  1.00   2.98   3.84) =   0.276%  kept
          HB3   CYS   53 - HD3   ARG+  54   7.66 +/- 1.13   1.479% * 12.0908% (0.80   1.0  1.00   3.23  31.55) =   0.234%  kept
          HB2   PHE   59 - HD3   ARG+  54  12.29 +/- 2.19   0.894% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  14.68 +/- 3.50   0.288% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  19.56 +/- 4.96   0.215% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.63, residual support = 169.2:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.613% * 99.9131% (1.00  10.0 10.00   3.63 169.22) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  22.71 +/- 7.79   0.387% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 3.71, residual support = 168.9:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.70 +/- 0.26  83.602% * 98.9074% (0.87  10.0 10.00   3.72 169.22) =  99.821%  kept
          QB    ALA   57 - HD3   ARG+  54   6.76 +/- 1.82  15.336% *  0.9649% (0.20   1.0  1.00   0.86   0.52) =   0.179%  kept
          HB3   LEU  123 - HD3   ARG+  54  20.54 +/- 4.47   0.361% *  0.0511% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   ARG+  54  17.55 +/- 3.63   0.533% *  0.0254% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.23 +/- 4.53   0.168% *  0.0511% (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 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 169.2:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.60 +/- 0.30  91.727% * 97.6350% (0.49  10.0 10.00   3.89 169.22) =  99.980%  kept
        T HG3   PRO   68 - HD3   ARG+  54  20.49 +/- 5.97   1.007% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.009%
          HB    ILE   56 - HD3   ARG+  54   9.76 +/- 1.31   2.112% *  0.1988% (0.99   1.0  1.00   0.02   0.12) =   0.005%
          HB3   PRO   58 - HD3   ARG+  54  11.72 +/- 2.73   2.499% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HD3   ARG+  54  17.13 +/- 3.80   0.665% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   ARG+  54  19.72 +/- 3.06   0.339% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   ARG+  54  21.99 +/- 4.85   0.494% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   ARG+  54  22.16 +/- 4.23   0.289% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   ARG+  54  21.66 +/- 3.77   0.314% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HD3   ARG+  54  25.34 +/- 4.81   0.211% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.97 +/- 3.83   0.130% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  30.55 +/- 4.16   0.073% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  26.66 +/- 4.22   0.139% *  0.0899% (0.45   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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.02, residual support = 169.2:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.27 +/- 0.57  89.696% * 99.0727% (0.73  10.0   4.02 169.22) =  99.990%  kept
          HB    ILE  119 - HD3   ARG+  54  15.92 +/- 2.78   1.594% *  0.1317% (0.97   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HD3   ARG+  54  20.77 +/- 5.65   1.347% *  0.0883% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   ARG+  54  25.24 +/- 4.89   0.877% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   PRO   93 - HD3   ARG+  54  13.77 +/- 3.37   1.992% *  0.0561% (0.41   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HD3   ARG+  54  25.13 +/- 5.05   0.673% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HD3   ARG+  54  20.69 +/- 2.55   0.640% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  16.66 +/- 2.86   1.360% *  0.0465% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HD3   ARG+  54  31.49 +/- 4.08   0.215% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  23.12 +/- 5.11   0.586% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.83 +/- 6.40   0.658% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  24.63 +/- 4.02   0.363% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 169.2:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  96.871% * 97.1361% (0.92  10.0 10.00   4.97 169.22) =  99.995%  kept
        T HG3   PRO   68 - HG3   ARG+  54  20.21 +/- 5.42   0.328% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HG3   ARG+  54   9.29 +/- 0.96   0.733% *  0.0681% (0.65   1.0  1.00   0.02   0.12) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  26.82 +/- 3.75   0.035% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  18.83 +/- 4.86   0.161% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.35 +/- 0.80   1.023% *  0.0208% (0.20   1.0  1.00   0.02   1.97) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  21.47 +/- 4.31   0.189% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.21 +/- 2.59   0.115% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  21.61 +/- 4.17   0.088% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  21.12 +/- 4.04   0.086% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  16.50 +/- 4.21   0.245% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.13 +/- 3.59   0.047% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.20 +/- 4.82   0.056% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  30.27 +/- 4.03   0.023% *  0.0512% (0.49   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 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.1, residual support = 169.2:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.67 +/- 0.25  95.073% * 97.7423% (0.31  10.0   5.11 169.22) =  99.990%  kept
          HB3   PRO   68 - HG3   ARG+  54  20.49 +/- 5.21   1.045% *  0.3104% (0.98   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HG3   ARG+  54  15.63 +/- 2.99   0.860% *  0.1921% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HG3   ARG+  54  16.09 +/- 2.89   0.591% *  0.2420% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HG3   ARG+  54  23.06 +/- 5.27   0.274% *  0.2175% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   ARG+  54  25.03 +/- 5.20   0.199% *  0.2840% (0.90   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG3   ARG+  54  15.00 +/- 1.87   0.696% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  24.54 +/- 4.40   0.200% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.11 +/- 4.83   0.187% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  20.08 +/- 2.20   0.278% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  27.90 +/- 6.17   0.157% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  30.98 +/- 3.62   0.084% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  22.30 +/- 5.47   0.356% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 169.2:
      O   HA    ARG+  54 - HG3   ARG+  54   3.42 +/- 0.50  93.616% * 99.5710% (1.00  10.0   5.75 169.22) =  99.996%  kept
          HA    ALA  124 - HG3   ARG+  54  24.04 +/- 5.60   1.667% *  0.0976% (0.98   1.0   0.02   0.02) =   0.002%
          HA    LEU  115 - HG3   ARG+  54  14.98 +/- 2.47   2.038% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG3   ARG+  54  22.49 +/- 4.10   0.646% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.93 +/- 4.74   0.374% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  17.33 +/- 2.14   1.043% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  27.95 +/- 3.97   0.251% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  33.78 +/- 4.06   0.134% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  29.89 +/- 4.05   0.230% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 3.72, residual support = 169.2:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.70 +/- 0.26  99.356% * 99.9462% (0.76  10.0 10.00   3.72 169.22) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  22.89 +/- 7.54   0.644% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.859, support = 4.87, residual support = 164.0:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.90 +/- 0.15  75.509% * 77.1061% (0.87  10.0 10.00   4.91 169.22) =  96.615%  kept
          QB    PHE   55 - HG3   ARG+  54   6.07 +/- 1.07  14.427% *  7.9704% (0.49   1.0  1.00   3.68   3.84) =   1.908%  kept
          HB3   CYS   53 - HG3   ARG+  54   7.08 +/- 0.85   6.004% * 14.7971% (0.80   1.0  1.00   4.16  31.55) =   1.474%  kept
          HD3   PRO   93 - HG3   ARG+  54  14.08 +/- 3.89   1.320% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   ARG+  54  11.95 +/- 1.98   1.947% *  0.0222% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   ARG+  54  19.25 +/- 4.42   0.792% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.72, residual support = 169.2:
          HN    ARG+  54 - HG3   ARG+  54   4.03 +/- 0.36  91.055% * 99.3386% (0.87   6.72 169.22) =  99.982%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.39 +/- 2.47   8.145% *  0.1794% (0.53   0.02   0.02) =   0.016%
          HN    LYS+  38 - HG3   ARG+  54  30.43 +/- 3.72   0.263% *  0.3291% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   ARG+  54  26.69 +/- 4.53   0.538% *  0.1529% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 169.0:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  89.129% * 96.7823% (0.87  10.0 10.00   4.97 169.22) =  99.890%  kept
          QB    ALA   57 - HG2   ARG+  54   5.59 +/- 1.70   6.437% *  1.3715% (0.20   1.0  1.00   1.24   0.52) =   0.102%  kept
        T HB3   LEU  123 - HG3   PRO   68  18.64 +/- 6.84   2.711% *  0.1335% (0.12   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  33 - HG3   PRO   68  14.73 +/- 3.46   0.731% *  0.1335% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   ARG+  54 - HG3   PRO   68  20.21 +/- 5.42   0.302% *  0.2583% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.59 +/- 3.61   0.257% *  0.2484% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG2   ARG+  54  19.91 +/- 4.25   0.113% *  0.5002% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   ARG+  54  25.30 +/- 4.06   0.043% *  0.5002% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  24.74 +/- 4.74   0.056% *  0.0663% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  14.28 +/- 2.37   0.221% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.156, support = 3.22, residual support = 36.4:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  74.233% * 33.8555% (0.12  10.0  1.00   2.31  36.35) =  64.569%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.74 +/- 0.29  21.859% * 63.0750% (0.22  10.0  1.00   4.88  36.35) =  35.422%  kept
          HB2   LYS+ 111 - HG2   ARG+  54  15.63 +/- 2.76   0.165% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   ARG+  54  19.80 +/- 4.94   0.156% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  14.48 +/- 1.85   0.173% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   30 - HG2   ARG+  54  24.17 +/- 4.38   0.048% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG2   ARG+  54  19.27 +/- 5.00   0.192% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   PRO   68  15.08 +/- 4.43   0.264% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG2   ARG+  54  22.29 +/- 4.76   0.059% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   PRO   68  15.20 +/- 3.68   0.202% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  21.42 +/- 5.00   0.087% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  22.16 +/- 5.24   0.174% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  23.91 +/- 3.85   0.039% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.62 +/- 3.80   0.276% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  27.04 +/- 5.78   0.039% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  14.95 +/- 2.71   0.179% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  16.42 +/- 4.90   0.638% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  15.26 +/- 3.21   0.255% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  15.30 +/- 3.68   0.556% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.12 +/- 4.76   0.047% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.75 +/- 3.12   0.105% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.09 +/- 4.06   0.053% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  17.87 +/- 4.18   0.185% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  30.17 +/- 3.47   0.019% *  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 = 0.753, support = 4.88, residual support = 143.5:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.71 +/- 0.24  39.320% * 68.3767% (0.87  10.0 10.00   4.93 169.22) =  81.293%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.69 +/- 0.29  40.416% * 11.9088% (0.15  10.0  1.00   4.92  36.35) =  14.553%  kept
          QB    PHE   55 - HG2   ARG+  54   5.73 +/- 1.44  11.967% *  6.7950% (0.49   1.0  1.00   3.54   3.84) =   2.459%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.01 +/- 0.80   4.447% * 12.5799% (0.80   1.0  1.00   3.99  31.55) =   1.692%  kept
        T HD2   ARG+  54 - HG3   PRO   68  20.58 +/- 5.69   0.291% *  0.1825% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG2   ARG+  54  11.10 +/- 1.82   1.518% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54  13.57 +/- 3.63   0.585% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG2   ARG+  54  18.48 +/- 4.17   0.246% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  18.64 +/- 5.47   0.496% *  0.0168% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  17.85 +/- 3.98   0.223% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.14 +/- 4.91   0.172% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.00 +/- 2.88   0.319% *  0.0052% (0.07   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 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 169.2:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.60 +/- 0.30  98.914% * 99.7339% (0.31  10.0 10.00   3.89 169.22) =  99.997%  kept
        T HD3   ARG+  54 - HG3   PRO   68  20.49 +/- 5.97   1.086% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 169.2:
      O T HA    ARG+  54 - HG2   ARG+  54   2.57 +/- 0.60  86.195% * 97.8074% (1.00  10.0 10.00   5.69 169.22) =  99.975%  kept
        T HA    ARG+  54 - HG3   PRO   68  18.59 +/- 4.99   3.707% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.011%
        T HA    LEU  115 - HG2   ARG+  54  14.25 +/- 2.42   1.086% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+  81 - HG2   ARG+  54  21.82 +/- 3.87   0.346% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA  124 - HG2   ARG+  54  23.47 +/- 5.03   0.798% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - HG3   PRO   68  17.55 +/- 2.79   0.392% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG3   PRO   68  14.30 +/- 2.89   2.589% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  24.59 +/- 2.77   0.166% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  17.79 +/- 5.11   1.348% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   PRO   68  20.69 +/- 6.96   0.673% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  18.43 +/- 3.89   0.840% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  26.03 +/- 4.26   0.171% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  16.73 +/- 2.15   0.571% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  27.07 +/- 3.45   0.142% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  29.09 +/- 3.91   0.148% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  32.92 +/- 3.51   0.074% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  18.96 +/- 3.56   0.505% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.83 +/- 3.86   0.248% *  0.0046% (0.05   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 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.64, residual support = 169.2:
          HN    ARG+  54 - HG2   ARG+  54   3.39 +/- 0.42  83.592% * 99.0747% (0.87   6.64 169.22) =  99.977%  kept
          HN    ASP-  62 - HG2   ARG+  54  11.40 +/- 2.19   7.184% *  0.1811% (0.53   0.02   0.02) =   0.016%
          HN    ASP-  62 - HG3   PRO   68  11.94 +/- 2.35   3.375% *  0.0483% (0.14   0.02   0.02) =   0.002%
          HN    LYS+  38 - HG3   PRO   68  15.17 +/- 3.32   1.404% *  0.0886% (0.26   0.02   0.02) =   0.002%
          HN    LEU   31 - HG3   PRO   68  16.26 +/- 4.01   2.678% *  0.0412% (0.12   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   PRO   68  19.86 +/- 5.17   1.251% *  0.0797% (0.23   0.02   0.02) =   0.001%
          HN    LEU   31 - HG2   ARG+  54  25.77 +/- 4.05   0.355% *  0.1543% (0.45   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  29.56 +/- 3.19   0.160% *  0.3322% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.957, support = 0.348, residual support = 0.505:
          QB    ALA   57 - HB3   ARG+  54   6.30 +/- 1.65  47.004% * 81.1762% (0.97   0.36   0.52) =  96.960%  kept
          HD2   LYS+  74 - HB3   ARG+  54  15.57 +/- 4.96  15.993% *  3.4091% (0.73   0.02   0.02) =   1.385%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  15.53 +/- 3.61   5.135% *  4.6018% (0.98   0.02   0.02) =   0.601%  kept
          QD    LYS+  65 - HB3   ARG+  54  13.87 +/- 3.59  15.712% *  0.8222% (0.18   0.02   0.02) =   0.328%  kept
          HB3   LEU  123 - HB3   ARG+  54  19.70 +/- 4.37   2.743% *  4.5308% (0.97   0.02   0.02) =   0.316%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  18.74 +/- 4.73  12.390% *  0.9291% (0.20   0.02   0.02) =   0.293%  kept
          QD    LYS+  33 - HB3   ARG+  54  25.87 +/- 4.21   1.024% *  4.5308% (0.97   0.02   0.02) =   0.118%  kept
    Distance limit 3.12 A violated in 14 structures by 2.46 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.38, residual support = 169.2:
      O   HN    ARG+  54 - HB3   ARG+  54   2.82 +/- 0.66  97.002% * 99.7769% (0.87  10.0   5.38 169.22) =  99.998%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.05 +/- 2.13   2.618% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HN    LYS+  38 - HB3   ARG+  54  30.18 +/- 3.35   0.132% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.27 +/- 4.26   0.248% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.61, residual support = 169.2:
      O   HN    ARG+  54 - HB2   ARG+  54   2.63 +/- 0.55  93.412% * 99.6984% (0.87  10.0   6.61 169.22) =  99.998%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.41 +/- 2.02   1.364% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   GLU-  14  16.17 +/- 4.20   0.974% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  14.32 +/- 4.44   1.696% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.24 +/- 5.68   0.926% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  30.58 +/- 2.99   0.081% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.57 +/- 3.88   0.137% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  20.03 +/- 3.87   0.337% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  31.07 +/- 6.93   0.241% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  27.50 +/- 4.22   0.144% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  19.83 +/- 4.47   0.406% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  23.84 +/- 5.58   0.281% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.24, support = 1.4, residual support = 27.4:
          QE    PHE   59 - HA    LEU  115   3.41 +/- 0.89  50.666% * 61.3363% (0.25   1.50  28.54) =  88.179%  kept
          HN    PHE   59 - HA    LEU  115   7.84 +/- 1.89  14.790% * 18.3946% (0.13   0.88  28.54) =   7.720%  kept
          QD    PHE   60 - HA    LEU  115   8.98 +/- 2.21  10.937% *  9.0307% (0.17   0.31   0.02) =   2.802%  kept
          QD    PHE   60 - HA    ARG+  54   7.38 +/- 1.67  10.102% *  1.8792% (0.57   0.02   0.02) =   0.539%  kept
          QE    PHE   59 - HA    ARG+  54  10.33 +/- 2.10   5.345% *  2.6578% (0.80   0.02   0.02) =   0.403%  kept
          HN    PHE   59 - HA    ARG+  54   8.03 +/- 1.11   5.221% *  1.3646% (0.41   0.02   0.02) =   0.202%  kept
          HN    LYS+  66 - HA    ARG+  54  14.11 +/- 3.04   1.281% *  3.2535% (0.98   0.02   0.02) =   0.118%  kept
          HN    LYS+  66 - HA    LEU  115  14.13 +/- 1.65   0.957% *  1.0011% (0.30   0.02   0.02) =   0.027%
          HN    LYS+  81 - HA    ARG+  54  21.93 +/- 4.01   0.307% *  0.8276% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  81 - HA    LEU  115  22.37 +/- 3.38   0.393% *  0.2547% (0.08   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.878, support = 6.16, residual support = 147.3:
      O   HN    ARG+  54 - HA    ARG+  54   2.75 +/- 0.05  63.693% * 75.5578% (0.97  10.0   6.61 169.22) =  86.759%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.52 +/- 0.04  30.385% * 24.1648% (0.31  10.0   3.20   3.84) =  13.237%  kept
          HN    ASP-  62 - HA    ARG+  54   9.98 +/- 1.89   1.865% *  0.0741% (0.95   1.0   0.02   0.02) =   0.002%
          HN    ASP-  62 - HA    LEU  115  10.29 +/- 1.64   1.696% *  0.0228% (0.29   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU  115  12.59 +/- 1.70   0.841% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.72 +/- 3.42   0.114% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.42 +/- 1.27   1.055% *  0.0074% (0.09   1.0   0.02   4.78) =   0.000%
          HN    LEU   31 - HA    LEU  115  21.48 +/- 3.19   0.184% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  28.52 +/- 2.62   0.063% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.40 +/- 2.65   0.105% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.565, support = 4.34, residual support = 22.2:
          HN    ILE   56 - QB    PHE   55   3.10 +/- 0.51  83.215% * 95.4216% (0.57   4.35  22.25) =  99.739%  kept
          QE    PHE   60 - QB    PHE   55   8.44 +/- 1.99   7.800% *  2.3051% (0.25   0.24   0.02) =   0.226%  kept
          HN    LEU   63 - QB    PHE   55  11.21 +/- 1.58   2.188% *  0.5325% (0.69   0.02   0.02) =   0.015%
          HN    LYS+ 111 - QB    PHE   55   9.94 +/- 3.01   5.438% *  0.1726% (0.22   0.02   0.02) =   0.012%
          HD21  ASN   28 - QB    PHE   55  22.75 +/- 3.77   0.450% *  0.7482% (0.97   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QB    PHE   55  19.54 +/- 1.67   0.455% *  0.6475% (0.84   0.02   0.02) =   0.004%
          HN    ALA   84 - QB    PHE   55  19.87 +/- 2.45   0.454% *  0.1726% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 3.02, residual support = 20.8:
      O   HN    PHE   55 - QB    PHE   55   2.09 +/- 0.08  88.780% * 87.2120% (0.73  10.0   3.01  21.03) =  98.380%  kept
          HN    ARG+  54 - QB    PHE   55   4.34 +/- 0.17  10.186% * 12.5075% (0.61   1.0   3.43   3.84) =   1.619%  kept
          HN    ASP-  62 - QB    PHE   55  10.53 +/- 1.01   0.770% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  22.87 +/- 3.07   0.090% *  0.1159% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  19.99 +/- 2.52   0.121% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.18 +/- 2.53   0.052% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.847, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   7.74 +/- 1.31  71.325% * 36.5548% (0.90   0.02   0.02) =  83.886%  kept
          HN    LYS+  66 - QB    PHE   55  14.42 +/- 1.72  16.666% * 16.7569% (0.41   0.02   0.02) =   8.985%  kept
          HN    LYS+  81 - QB    PHE   55  21.10 +/- 3.56   4.281% * 40.3993% (0.99   0.02   0.02) =   5.565%  kept
          HE3   TRP   27 - QB    PHE   55  19.26 +/- 3.13   7.727% *  6.2891% (0.15   0.02   0.02) =   1.564%  kept
    Distance limit 3.29 A violated in 20 structures by 4.35 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.255, support = 5.87, residual support = 122.1:
      O   HN    ILE   56 - HB    ILE   56   3.52 +/- 0.54  75.187% * 91.3813% (0.25  10.0   5.96 124.24) =  98.254%  kept
          QE    PHE   60 - HB    ILE   56   7.48 +/- 1.76  15.513% *  7.7805% (0.57   1.0   0.75   4.15) =   1.726%  kept
          HN    LEU   63 - HB    ILE   56   8.72 +/- 1.55   8.362% *  0.1250% (0.34   1.0   0.02   0.02) =   0.015%
          HD21  ASN   28 - HB    ILE   56  23.25 +/- 3.84   0.489% *  0.3467% (0.95   1.0   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB    ILE   56  20.12 +/- 1.86   0.449% *  0.3665% (1.00   1.0   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.498, support = 2.3, residual support = 17.6:
          QD    PHE   55 - HB    ILE   56   4.79 +/- 0.77  52.910% * 62.8196% (0.41   2.73  22.25) =  79.046%  kept
          QE    PHE   95 - HB    ILE   56   6.77 +/- 1.80  26.228% * 32.9282% (0.84   0.70   0.31) =  20.539%  kept
          HD1   TRP   49 - HB    ILE   56  13.86 +/- 3.39  11.243% *  0.8567% (0.76   0.02   0.02) =   0.229%  kept
          HN    LEU   67 - HB    ILE   56  14.19 +/- 1.77   2.474% *  1.1111% (0.99   0.02   0.02) =   0.065%
          HN    THR   23 - HB    ILE   56  20.61 +/- 4.68   2.358% *  0.9724% (0.87   0.02   0.02) =   0.055%
          HD2   HIS   22 - HB    ILE   56  20.10 +/- 5.24   3.272% *  0.6800% (0.61   0.02   0.02) =   0.053%
          HE3   TRP   27 - HB    ILE   56  18.88 +/- 2.91   1.238% *  0.3824% (0.34   0.02   0.02) =   0.011%
          HD21  ASN   35 - HB    ILE   56  28.66 +/- 2.70   0.277% *  0.2496% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.25 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.64, residual support = 124.2:
      O T QD1   ILE   56 - HB    ILE   56   2.74 +/- 0.45  91.084% * 99.4902% (0.87  10.0 10.00   4.64 124.24) =  99.981%  kept
        T QD2   LEU  123 - HB    ILE   56  10.29 +/- 2.84   5.115% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.016%
          QD2   LEU   73 - HB    ILE   56  13.66 +/- 3.49   2.455% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HB    ILE   56  14.79 +/- 2.76   1.048% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  21.94 +/- 3.20   0.298% *  0.0514% (0.45   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 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.07, residual support = 124.2:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  96.429% * 98.2187% (0.87  10.0 10.00   4.07 124.24) =  99.982%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.17 +/- 3.31   1.939% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+ 121 - QG1   ILE   56  13.23 +/- 1.88   0.368% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - QG1   ILE   56   9.76 +/- 2.06   1.123% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.36 +/- 2.92   0.141% *  0.0508% (0.45   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 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.17, residual support = 124.2:
        T QG2   ILE   56 - QD1   ILE   56   2.30 +/- 0.62  94.756% * 98.5057% (0.72 10.00   5.17 124.24) =  99.991%  kept
        T QB    ALA   34 - QD1   ILE   56  15.24 +/- 1.58   0.491% *  1.1899% (0.87 10.00   0.02   0.02) =   0.006%
          QG2   THR   23 - QD1   ILE   56  15.53 +/- 3.53   0.703% *  0.1263% (0.93  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD1   ILE   56  11.20 +/- 1.68   1.413% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD1   ILE   56  10.44 +/- 1.60   1.934% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  15.58 +/- 1.58   0.530% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.28 +/- 2.31   0.174% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.86, support = 1.62, residual support = 1.22:
          QB    ALA   61 - QD1   ILE   56   6.45 +/- 0.91  17.841% * 58.7153% (0.94  1.00   1.97   1.73) =  60.659%  kept
          QB    ALA  110 - QD1   ILE   56   7.21 +/- 2.92  16.854% * 32.5360% (0.85  1.00   1.22   0.51) =  31.753%  kept
          HB3   LEU  115 - QD1   ILE   56   4.66 +/- 1.68  32.628% *  3.5691% (0.21  1.00   0.54   0.12) =   6.743%  kept
          QG    LYS+  66 - QD1   ILE   56   9.87 +/- 2.48   9.578% *  0.5178% (0.82  1.00   0.02   0.02) =   0.287%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  12.39 +/- 1.17   2.086% *  1.6597% (0.26 10.00   0.02   0.02) =   0.200%  kept
          HG    LEU   73 - QD1   ILE   56  13.15 +/- 4.27   4.440% *  0.4101% (0.65  1.00   0.02   0.02) =   0.105%  kept
          HB3   LEU   67 - QD1   ILE   56  12.86 +/- 1.94   2.604% *  0.5851% (0.93  1.00   0.02   0.02) =   0.088%
          HB3   LYS+  74 - QD1   ILE   56  12.49 +/- 3.14   4.240% *  0.1489% (0.24  1.00   0.02   0.02) =   0.037%
          HG12  ILE   19 - QD1   ILE   56  16.16 +/- 2.76   1.149% *  0.4986% (0.79  1.00   0.02   0.02) =   0.033%
          HG    LEU   80 - QD1   ILE   56  17.20 +/- 2.94   0.983% *  0.5511% (0.87  1.00   0.02   0.02) =   0.031%
          HG    LEU   67 - QD1   ILE   56  12.96 +/- 2.19   3.762% *  0.0921% (0.15  1.00   0.02   0.02) =   0.020%
          HG    LEU   40 - QD1   ILE   56  13.59 +/- 2.24   2.252% *  0.1329% (0.21  1.00   0.02   0.02) =   0.017%
          HB2   LEU   80 - QD1   ILE   56  16.80 +/- 2.36   1.091% *  0.2454% (0.39  1.00   0.02   0.02) =   0.016%
          HG2   LYS+ 102 - QD1   ILE   56  20.56 +/- 2.09   0.493% *  0.3380% (0.54  1.00   0.02   0.02) =   0.010%
    Distance limit 3.21 A violated in 4 structures by 0.91 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.07, residual support = 124.2:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  94.206% * 98.9931% (0.85  10.0 10.00   4.07 124.24) =  99.987%  kept
        T HB2   LEU   73 - QD1   ILE   56  13.16 +/- 4.21   1.545% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.010%
          HD2   LYS+ 111 - QD1   ILE   56   9.02 +/- 3.12   2.037% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   ILE   56  10.27 +/- 2.55   1.068% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   ILE   56  11.81 +/- 1.21   0.445% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.49 +/- 2.29   0.248% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.31 +/- 2.11   0.191% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  14.47 +/- 1.71   0.260% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.62, residual support = 123.4:
      O T HB    ILE   56 - QD1   ILE   56   2.74 +/- 0.45  87.178% * 89.8044% (0.72  10.0 10.00   4.64 124.24) =  99.301%  kept
          HB3   PRO   58 - QD1   ILE   56   6.93 +/- 0.67   6.241% *  8.6540% (0.85   1.0  1.00   1.64   0.02) =   0.685%  kept
        T HB3   GLN   30 - QD1   ILE   56  17.40 +/- 2.64   0.610% *  1.1647% (0.94   1.0 10.00   0.02   0.02) =   0.009%
          HB2   MET   92 - QD1   ILE   56  11.44 +/- 2.67   2.227% *  0.1165% (0.94   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - QD1   ILE   56  10.88 +/- 0.87   1.650% *  0.0401% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD1   ILE   56  21.16 +/- 2.17   0.271% *  0.1054% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  17.35 +/- 2.79   0.566% *  0.0363% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  16.57 +/- 2.35   0.595% *  0.0293% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.12 +/- 2.00   0.365% *  0.0233% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  24.02 +/- 4.88   0.299% *  0.0262% (0.21   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 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.42, residual support = 5.53:
        T HA    LYS+ 112 - QD1   ILE   56   4.32 +/- 2.91  57.694% * 99.8063% (0.79 10.00   1.42   5.54) =  99.947%  kept
          HB2   HIS  122 - QD1   ILE   56  11.18 +/- 2.38  20.612% *  0.0951% (0.54  1.00   0.02   0.02) =   0.034%
          HB    THR   46 - QD1   ILE   56   8.89 +/- 2.39  18.307% *  0.0519% (0.29  1.00   0.02   0.02) =   0.016%
          HB2   HIS   22 - QD1   ILE   56  16.89 +/- 4.56   3.387% *  0.0467% (0.26  1.00   0.02   0.02) =   0.003%
    Distance limit 3.25 A violated in 5 structures by 1.49 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.775, support = 3.52, residual support = 20.1:
          HA    PHE   55 - QD1   ILE   56   4.50 +/- 0.75  54.400% * 83.2917% (0.76   3.85  22.25) =  89.902%  kept
          HA    ALA  110 - QD1   ILE   56   8.35 +/- 3.75  32.162% * 15.7394% (0.94   0.59   0.51) =  10.044%  kept
          HA    VAL  107 - QD1   ILE   56   9.17 +/- 1.30   6.583% *  0.2028% (0.36   0.02   0.02) =   0.026%
          HA    GLN   90 - QD1   ILE   56  15.65 +/- 2.16   1.383% *  0.5111% (0.89   0.02   0.02) =   0.014%
          HA    VAL   42 - QD1   ILE   56  12.18 +/- 1.66   3.045% *  0.1203% (0.21   0.02   0.02) =   0.007%
          HA    ALA   91 - QD1   ILE   56  13.60 +/- 2.42   2.429% *  0.1347% (0.24   0.02   0.02) =   0.006%
    Distance limit 3.12 A violated in 2 structures by 0.91 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56   9.48 +/- 1.69 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.42 A violated in 19 structures by 6.06 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.294, support = 1.54, residual support = 20.0:
          HN    PHE   59 - QD1   ILE   56   4.24 +/- 0.47  89.439% * 93.0149% (0.29   1.55  20.12) =  99.567%  kept
          HN    HIS  122 - QD1   ILE   56  10.66 +/- 1.62   8.480% *  3.3839% (0.82   0.02   0.02) =   0.343%  kept
          HH2   TRP   87 - QD1   ILE   56  16.04 +/- 2.12   2.080% *  3.6012% (0.87   0.02   0.02) =   0.090%
    Distance limit 3.52 A violated in 1 structures by 0.76 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.423, support = 4.52, residual support = 30.9:
          HN    ALA   57 - QD1   ILE   56   3.91 +/- 0.94  69.022% * 95.7718% (0.42   4.58  31.33) =  98.668%  kept
          HE21  GLN  116 - QD1   ILE   56   7.08 +/- 2.03  29.656% *  2.9771% (0.36   0.17   0.02) =   1.318%  kept
          HE21  GLN   90 - QD1   ILE   56  17.95 +/- 2.10   0.930% *  0.9008% (0.91   0.02   0.02) =   0.013%
          HD21  ASN   35 - QD1   ILE   56  23.64 +/- 2.42   0.392% *  0.3503% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.292, support = 5.17, residual support = 101.4:
          HN    ILE   56 - QD1   ILE   56   3.15 +/- 0.94  54.829% * 65.5883% (0.24   6.07 124.24) =  81.025%  kept
          QE    PHE   60 - QD1   ILE   56   5.83 +/- 2.37  25.776% * 32.4293% (0.54   1.32   4.15) =  18.834%  kept
          HN    LEU   63 - QD1   ILE   56   7.03 +/- 1.96  18.380% *  0.2957% (0.32   0.02   0.02) =   0.122%  kept
          HZ2   TRP   87 - QD1   ILE   56  15.98 +/- 1.73   0.619% *  0.8668% (0.95   0.02   0.02) =   0.012%
          HD21  ASN   28 - QD1   ILE   56  18.98 +/- 3.19   0.396% *  0.8199% (0.89   0.02   0.02) =   0.007%
    Distance limit 3.56 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 0.97, residual support = 5.5:
          HN    LYS+ 112 - QD1   ILE   56   5.77 +/- 3.19  64.110% * 95.5020% (0.50   0.98   5.54) =  99.253%  kept
          HN    ASP-  78 - QD1   ILE   56  14.15 +/- 2.69   9.862% *  2.4035% (0.61   0.02   0.02) =   0.384%  kept
          HN    VAL   75 - QD1   ILE   56  11.30 +/- 2.06  24.068% *  0.8272% (0.21   0.02   0.02) =   0.323%  kept
          HN    MET   11 - QD1   ILE   56  24.04 +/- 4.83   1.960% *  1.2673% (0.32   0.02   0.02) =   0.040%
    Distance limit 3.76 A violated in 6 structures by 1.57 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.1:
        T HB3   PHE   59 - QG1   ILE   56   2.74 +/- 0.60  93.081% * 99.8494% (0.38 10.00   3.00  20.12) =  99.989%  kept
          HB2   PHE   95 - QG1   ILE   56   7.65 +/- 1.43   6.919% *  0.1506% (0.57  1.00   0.02   0.31) =   0.011%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.394, support = 2.71, residual support = 20.2:
        T HB2   PHE   59 - QG1   ILE   56   3.54 +/- 0.96  43.797% * 69.9743% (0.34 10.00   2.48  20.12) =  81.388%  kept
          QB    PHE   55 - QG1   ILE   56   4.63 +/- 0.87  26.417% * 24.7640% (0.61  1.00   3.98  22.25) =  17.373%  kept
          HD2   ARG+  54 - QG1   ILE   56   8.35 +/- 1.80   7.000% *  3.6309% (0.95  1.00   0.37   0.12) =   0.675%  kept
          HB3   CYS   53 - QG1   ILE   56   6.03 +/- 1.23  14.990% *  1.3409% (0.90  1.00   0.15   0.02) =   0.534%  kept
          HD3   PRO   93 - QG1   ILE   56   9.88 +/- 3.03   6.827% *  0.1490% (0.73  1.00   0.02   0.02) =   0.027%
          HD3   PRO   68 - QG1   ILE   56  13.39 +/- 2.74   0.968% *  0.1409% (0.69  1.00   0.02   0.02) =   0.004%
    Distance limit 4.13 A violated in 0 structures by 0.01 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   9.57 +/- 1.46 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.99 A violated in 20 structures by 5.58 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 = 20.1:
          QD    PHE   59 - QG1   ILE   56   3.47 +/- 0.72  93.082% * 96.4395% (0.34   1.97  20.12) =  99.909%  kept
          HN    HIS  122 - QG1   ILE   56  11.15 +/- 1.94   4.335% *  1.1814% (0.41   0.02   0.02) =   0.057%
          HH2   TRP   87 - QG1   ILE   56  16.71 +/- 2.06   1.302% *  1.3988% (0.49   0.02   0.02) =   0.020%
          HD1   TRP   27 - QG1   ILE   56  18.12 +/- 3.21   1.281% *  0.9803% (0.34   0.02   0.02) =   0.014%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.25, support = 5.0, residual support = 124.0:
      O   HN    ILE   56 - HA    ILE   56   2.73 +/- 0.22  90.847% * 96.5021% (0.25  10.0   5.01 124.24) =  99.819%  kept
          QE    PHE   60 - HA    ILE   56   7.90 +/- 1.64   5.880% *  2.6127% (0.57   1.0   0.24   4.15) =   0.175%  kept
          HN    LEU   63 - HA    ILE   56   9.33 +/- 1.39   2.859% *  0.1320% (0.34   1.0   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HA    ILE   56  21.19 +/- 2.04   0.215% *  0.3870% (1.00   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    ILE   56  24.03 +/- 3.98   0.199% *  0.3661% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.944, support = 5.05, residual support = 25.3:
        T HD2   PRO   58 - QB    ALA   57   2.39 +/- 0.46  78.059% * 97.5762% (0.95 10.00   5.07  25.35) =  99.638%  kept
          HB2   CYS   53 - QB    ALA   57   6.11 +/- 2.47  21.365% *  1.2818% (0.34  1.00   0.73   0.02) =   0.358%  kept
        T HA    VAL   83 - QB    ALA   57  19.13 +/- 3.20   0.234% *  1.0111% (0.98 10.00   0.02   0.02) =   0.003%
          HA    GLU- 100 - QB    ALA   57  21.38 +/- 2.61   0.154% *  0.1022% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  20.90 +/- 2.47   0.188% *  0.0287% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.84, residual support = 24.1:
      O   HN    ALA   57 - QB    ALA   57   2.42 +/- 0.47  85.883% * 98.4865% (0.18  10.0   4.84  24.16) =  99.971%  kept
          HE21  GLN  116 - QB    ALA   57   9.82 +/- 2.28  10.710% *  0.1252% (0.22   1.0   0.02   0.02) =   0.016%
          HN    ALA  120 - QB    ALA   57  11.70 +/- 1.92   1.422% *  0.3184% (0.57   1.0   0.02   0.02) =   0.005%
          HN    ALA  124 - QB    ALA   57  15.50 +/- 2.48   0.531% *  0.4697% (0.84   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - QB    ALA   57  16.07 +/- 4.19   0.601% *  0.4084% (0.73   1.0   0.02   0.02) =   0.003%
          HN    LEU  123 - QB    ALA   57  13.17 +/- 2.38   0.854% *  0.1918% (0.34   1.0   0.02   0.02) =   0.002%
    Distance limit 2.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.45, residual support = 24.2:
      O   HN    ALA   57 - HA    ALA   57   2.76 +/- 0.17  95.867% * 99.6015% (0.57  10.0   4.45  24.16) =  99.995%  kept
          HE21  GLN  116 - HA    ALA   57  11.32 +/- 2.24   2.249% *  0.1138% (0.65   1.0   0.02   0.02) =   0.003%
          HN    ALA  120 - HA    ALA   57  13.28 +/- 1.29   0.962% *  0.1698% (0.97   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ALA   57  18.46 +/- 4.51   0.536% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  18.23 +/- 1.95   0.386% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.2:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.02  82.165% * 98.9094% (0.53  10.0 10.00   2.81  24.16) =  99.987%  kept
          HG3   PRO   93 - HA    ALA   57  11.93 +/- 4.84  13.243% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HA    ALA   57  12.69 +/- 4.69   1.941% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QD    LYS+  65 - HA    ALA   57  10.46 +/- 1.99   0.965% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    ALA   57  14.60 +/- 2.28   0.349% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    ALA   57  15.67 +/- 2.80   0.429% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  20.09 +/- 3.42   0.120% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  22.41 +/- 2.88   0.085% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  16.15 +/- 1.99   0.218% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  15.47 +/- 1.97   0.255% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.89 +/- 3.12   0.106% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.08 +/- 2.89   0.123% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.59, support = 0.02, residual support = 0.02:
          HN    GLN   32 - HB2   PRO   58  24.50 +/- 3.29  11.224% * 37.3861% (1.00   0.02   0.02) =  32.692%  kept
          HN    CYS   53 - HB2   PRO   58  12.53 +/- 1.24  58.174% *  5.7685% (0.15   0.02   0.02) =  26.143%  kept
          HN    SER   85 - HB2   PRO   58  25.84 +/- 2.78   7.015% * 29.9364% (0.80   0.02   0.02) =  16.361%  kept
          HN    ALA   34 - HB2   PRO   58  23.32 +/- 2.64  12.065% * 15.3699% (0.41   0.02   0.02) =  14.446%  kept
          HN    LEU   80 - HB2   PRO   58  22.93 +/- 3.48  11.521% * 11.5391% (0.31   0.02   0.02) =  10.357%  kept
    Distance limit 4.00 A violated in 20 structures by 8.24 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.612, support = 6.15, residual support = 39.4:
      O   HN    PHE   59 - HB3   PRO   58   3.96 +/- 0.37  59.851% * 89.1474% (0.61  10.0   6.29  39.50) =  97.004%  kept
          QE    PHE   59 - HB3   PRO   58   7.68 +/- 1.57  15.424% * 10.1515% (0.83   1.0   1.67  39.50) =   2.847%  kept
          QD    PHE   60 - HB3   PRO   58   7.16 +/- 0.98  13.699% *  0.5641% (0.23   1.0   0.33   0.02) =   0.140%  kept
          HN    LYS+  66 - HB3   PRO   58  11.82 +/- 2.68   3.496% *  0.0938% (0.64   1.0   0.02   0.02) =   0.006%
          HN    HIS  122 - HB3   PRO   58  11.56 +/- 3.13   7.040% *  0.0243% (0.17   1.0   0.02   0.02) =   0.003%
          HH2   TRP   87 - HB3   PRO   58  22.36 +/- 3.48   0.490% *  0.0189% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.7:
      O   HD2   PRO   58 - HG3   PRO   58   2.42 +/- 0.23  97.047% * 99.7269% (0.95  10.0   5.39 147.69) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   58  10.62 +/- 2.28   2.626% *  0.0360% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU- 100 - HG3   PRO   58  26.32 +/- 3.23   0.114% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.27 +/- 2.53   0.106% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  25.84 +/- 2.63   0.107% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 147.7:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.02  92.135% * 99.2991% (0.76  10.0   4.50 147.69) =  99.991%  kept
          HA    THR   46 - HG3   PRO   58  14.62 +/- 3.44   3.103% *  0.1254% (0.97   1.0   0.02   0.02) =   0.004%
          HA    GLN   17 - HG3   PRO   58  19.61 +/- 4.53   1.413% *  0.1199% (0.92   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HG3   PRO   58  23.13 +/- 3.82   0.704% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  17.52 +/- 1.99   1.214% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   58  21.14 +/- 2.60   0.690% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   PRO   58  25.26 +/- 5.01   0.486% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HG3   PRO   58  28.04 +/- 1.79   0.256% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.64, residual support = 25.3:
          HN    ALA   57 - HD2   PRO   58   2.25 +/- 0.78  80.217% * 98.6018% (0.54   5.64  25.35) =  99.898%  kept
          HE21  GLN  116 - HD2   PRO   58   9.42 +/- 2.52  17.544% *  0.3993% (0.61   0.02   0.02) =   0.088%
          HN    ALA  120 - HD2   PRO   58  11.77 +/- 2.39   1.457% *  0.5957% (0.91   0.02   0.02) =   0.011%
          HN    ALA  124 - HD2   PRO   58  16.54 +/- 3.05   0.500% *  0.2316% (0.36   0.02   0.02) =   0.001%
          HE21  GLN   17 - HD2   PRO   58  19.89 +/- 4.69   0.282% *  0.1716% (0.26   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.7:
      O   HA    PRO   58 - HD3   PRO   58   3.95 +/- 0.07  62.574% * 99.2639% (0.72  10.0   6.52 147.69) =  99.985%  kept
          HA    THR   46 - HD3   PRO   58  12.67 +/- 3.40   3.590% *  0.1254% (0.91   1.0   0.02   0.02) =   0.007%
          HA    GLN   17 - HD3   PRO   58  19.21 +/- 4.06   0.930% *  0.1199% (0.87   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HD2   PRO   68  13.71 +/- 5.72  11.817% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HD3   PRO   58  15.89 +/- 1.96   1.149% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  22.59 +/- 3.23   0.490% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  19.85 +/- 2.56   0.572% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HD3   PRO   58  24.83 +/- 4.51   0.352% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HD3   PRO   58  27.04 +/- 1.81   0.203% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.59 +/- 1.96   5.243% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.16 +/- 2.54   2.044% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  16.92 +/- 3.67   1.675% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  10.92 +/- 2.03   4.295% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  15.87 +/- 4.11   1.792% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.02 +/- 1.92   1.749% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  17.47 +/- 3.97   1.524% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 3.99, residual support = 25.3:
          HN    ALA   57 - HD3   PRO   58   2.24 +/- 0.66  81.030% * 97.9319% (0.54   4.00  25.35) =  99.890%  kept
          HE21  GLN  116 - HD3   PRO   58   8.55 +/- 2.24  12.576% *  0.5596% (0.61   0.02   0.02) =   0.089%
          HN    ALA  120 - HD3   PRO   58  10.80 +/- 1.82   1.579% *  0.8349% (0.91   0.02   0.02) =   0.017%
          HN    ALA  124 - HD3   PRO   58  15.91 +/- 2.52   0.668% *  0.3247% (0.36   0.02   0.02) =   0.003%
          HE21  GLN   17 - HD3   PRO   58  19.84 +/- 4.45   0.449% *  0.2405% (0.26   0.02   0.02) =   0.001%
          HN    ALA  120 - HD2   PRO   68  16.70 +/- 4.64   0.767% *  0.0370% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  14.68 +/- 5.52   1.632% *  0.0106% (0.01   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  18.07 +/- 4.33   0.381% *  0.0248% (0.03   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  19.18 +/- 6.46   0.599% *  0.0144% (0.02   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  15.88 +/- 2.16   0.319% *  0.0217% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.3:
          QB    ALA   57 - HD3   PRO   58   3.17 +/- 0.65  66.125% * 96.7335% (0.87   3.30  25.35) =  99.922%  kept
          HD2   LYS+  74 - HD3   PRO   58  14.81 +/- 4.39   2.902% *  0.6298% (0.94   0.02   0.02) =   0.029%
          QD    LYS+  65 - HD3   PRO   58  11.32 +/- 1.96   2.287% *  0.3093% (0.46   0.02   0.02) =   0.011%
          HB2   LYS+ 121 - HD3   PRO   58  12.71 +/- 2.84   1.961% *  0.3343% (0.50   0.02   0.02) =   0.010%
          HD3   LYS+ 111 - HD3   PRO   58  14.44 +/- 2.12   1.135% *  0.5698% (0.85   0.02   0.02) =   0.010%
          HB3   LEU  123 - HD3   PRO   58  13.64 +/- 2.53   1.167% *  0.4110% (0.61   0.02   0.02) =   0.007%
          HD2   LYS+  74 - HD2   PRO   68  12.57 +/- 3.92   4.311% *  0.0279% (0.04   0.02   0.02) =   0.002%
          QD    LYS+  33 - HD3   PRO   58  22.34 +/- 2.66   0.269% *  0.4110% (0.61   0.02   0.02) =   0.002%
          HB3   LEU  123 - HD2   PRO   68  18.31 +/- 6.15   4.924% *  0.0182% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD2   PRO   68   8.79 +/- 1.38   5.516% *  0.0137% (0.02   0.02   0.02) =   0.001%
          HB    VAL   83 - HD3   PRO   58  22.08 +/- 2.55   0.286% *  0.2612% (0.39   0.02   0.02) =   0.001%
          QD    LYS+  33 - HD2   PRO   68  14.09 +/- 2.93   3.043% *  0.0182% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   PRO   58  23.41 +/- 2.64   0.220% *  0.1767% (0.26   0.02   0.02) =   0.001%
          QB    ALA   57 - HD2   PRO   68  13.40 +/- 1.54   1.217% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  15.80 +/- 4.47   2.077% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  13.48 +/- 3.02   1.925% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  23.70 +/- 4.26   0.275% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  20.02 +/- 2.50   0.362% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.06, residual support = 25.3:
        T QB    ALA   57 - HD2   PRO   58   2.39 +/- 0.46  92.875% * 97.4262% (0.87 10.00   5.07  25.35) =  99.957%  kept
        T HD2   LYS+  74 - HD2   PRO   58  14.98 +/- 4.43   2.790% *  1.0461% (0.94 10.00   0.02   0.02) =   0.032%
        T QD    LYS+  65 - HD2   PRO   58  11.34 +/- 2.05   1.262% *  0.5137% (0.46 10.00   0.02   0.02) =   0.007%
          HB2   LYS+ 121 - HD2   PRO   58  13.63 +/- 3.33   1.310% *  0.0555% (0.50  1.00   0.02   0.02) =   0.001%
        T HB    VAL   83 - HD2   PRO   58  22.45 +/- 2.89   0.162% *  0.4339% (0.39 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   PRO   58  15.28 +/- 2.36   0.595% *  0.0947% (0.85  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   58  14.33 +/- 2.97   0.716% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  24.04 +/- 2.75   0.145% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.75 +/- 2.88   0.145% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.7, residual support = 147.7:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  97.640% * 99.6708% (0.89  10.0 10.00   7.70 147.69) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   8.74 +/- 1.95   1.309% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  16.32 +/- 1.80   0.137% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.35 +/- 2.37   0.045% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.03 +/- 2.90   0.039% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  24.72 +/- 2.54   0.039% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  15.97 +/- 3.03   0.203% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  17.75 +/- 4.02   0.254% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  13.88 +/- 2.67   0.275% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  21.41 +/- 2.31   0.059% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.7, residual support = 147.7:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.806% * 99.5891% (0.95  10.0 10.00   7.70 147.69) =  99.999%  kept
          HA    ALA   61 - HD2   PRO   58   8.66 +/- 1.00   0.923% *  0.0446% (0.42   1.0  1.00   0.02   0.87) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  16.32 +/- 1.80   0.139% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  17.33 +/- 2.93   0.132% *  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 = 0.678, support = 6.53, residual support = 39.5:
          HN    PHE   59 - HD2   PRO   58   3.48 +/- 0.49  82.956% * 86.2541% (0.69   6.65  39.50) =  97.512%  kept
          QE    PHE   59 - HD2   PRO   58   7.91 +/- 1.68  13.897% * 13.0574% (0.32   2.14  39.50) =   2.473%  kept
          HN    HIS  122 - HD2   PRO   58  12.86 +/- 3.17   2.673% *  0.3504% (0.93   0.02   0.02) =   0.013%
          HH2   TRP   87 - HD2   PRO   58  21.93 +/- 3.19   0.474% *  0.3382% (0.89   0.02   0.02) =   0.002%
    Distance limit 3.96 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 = 20.1:
        T QG1   ILE   56 - HB3   PHE   59   2.74 +/- 0.60  98.944% * 99.6917% (0.53 10.00   3.00  20.12) =  99.998%  kept
          HB    ILE   89 - HB3   PHE   59  17.70 +/- 1.54   0.532% *  0.1857% (0.98  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PHE   59  17.34 +/- 2.39   0.524% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.529, support = 0.594, residual support = 4.67:
          HB3   ASP-  62 - HB3   PHE   59   5.49 +/- 1.07  45.842% * 57.0027% (0.45   0.75   6.06) =  72.705%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.71 +/- 1.53  33.044% * 25.3378% (0.80   0.19   1.07) =  23.296%  kept
          HB    VAL  107 - HB3   PHE   59   8.54 +/- 1.15  14.255% *  8.7315% (0.38   0.14   0.43) =   3.463%  kept
          HB3   PHE   45 - HB3   PHE   59  12.91 +/- 1.53   5.075% *  2.7149% (0.80   0.02   0.02) =   0.383%  kept
          HB3   ASP-  86 - HB3   PHE   59  21.13 +/- 1.87   1.067% *  2.9410% (0.87   0.02   0.02) =   0.087%
          HG2   GLU-  29 - HB3   PHE   59  24.95 +/- 4.00   0.718% *  3.2721% (0.97   0.02   0.02) =   0.065%
    Distance limit 3.98 A violated in 7 structures by 1.00 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.48, residual support = 20.1:
        T QG1   ILE   56 - HB2   PHE   59   3.54 +/- 0.96  93.602% * 99.0024% (0.18 10.00   2.48  20.12) =  99.987%  kept
          HB    VAL   43 - HB2   PHE   59  14.47 +/- 2.28   1.970% *  0.1928% (0.34  1.00   0.02   0.02) =   0.004%
          HB    ILE   89 - HB2   PHE   59  18.57 +/- 2.02   0.941% *  0.3657% (0.65  1.00   0.02   0.02) =   0.004%
          QD    LYS+  81 - HB2   PHE   59  22.77 +/- 3.29   1.511% *  0.1572% (0.28  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HB2   PHE   59  17.49 +/- 2.52   1.025% *  0.1410% (0.25  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HB2   PHE   59  17.90 +/- 2.79   0.952% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 57.9:
      O   HN    PHE   59 - HB3   PHE   59   2.46 +/- 0.36  97.977% * 99.4232% (0.31  10.0   4.97  57.87) =  99.994%  kept
          HN    HIS  122 - HB3   PHE   59  10.43 +/- 1.33   1.716% *  0.2794% (0.87   1.0   0.02   0.02) =   0.005%
          HH2   TRP   87 - HB3   PHE   59  18.44 +/- 2.62   0.307% *  0.2974% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 57.9:
      O   HN    PHE   59 - HB2   PHE   59   2.61 +/- 0.52  77.073% * 93.3104% (1.00  10.0   4.35  57.87) =  98.337%  kept
          QE    PHE   59 - HB2   PHE   59   4.53 +/- 0.03  18.527% *  6.5551% (0.80   1.0   1.75  57.87) =   1.661%  kept
          HN    HIS  122 - HB2   PHE   59   9.57 +/- 1.49   2.196% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   PHE   59  10.55 +/- 1.40   1.855% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  19.11 +/- 2.99   0.350% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.05:
          HB2   ASP-  62 - HA    PHE   59   3.74 +/- 0.60  92.299% * 97.0773% (0.99  1.00   1.50   6.06) =  99.859%  kept
        T QB    ASP- 113 - HA    PHE   59  10.75 +/- 1.48   4.693% *  2.2871% (0.18 10.00   0.02   0.02) =   0.120%  kept
          HB2   PRO   52 - HA    PHE   59  13.96 +/- 1.71   3.009% *  0.6357% (0.49  1.00   0.02   0.02) =   0.021%
    Distance limit 3.64 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.177, support = 2.93, residual support = 6.0:
          HB3   ASP-  62 - HA    PHE   59   3.94 +/- 1.25  65.782% * 85.4423% (0.18  1.00   2.96   6.06) =  98.985%  kept
          HG3   GLN  116 - HA    PHE   59   7.50 +/- 2.64  25.918% *  1.1256% (0.34  1.00   0.02   0.52) =   0.514%  kept
        T HB3   TRP   87 - HA    PHE   59  19.15 +/- 2.30   1.828% *  9.1744% (0.28 10.00   0.02   0.02) =   0.295%  kept
          HG3   MET   96 - HA    PHE   59  14.56 +/- 2.38   5.889% *  1.7360% (0.53  1.00   0.02   0.02) =   0.180%  kept
          HG2   GLU-  36 - HA    PHE   59  25.28 +/- 3.17   0.583% *  2.5217% (0.76  1.00   0.02   0.02) =   0.026%
    Distance limit 3.89 A violated in 3 structures by 0.49 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 4.89, residual support = 57.9:
      O   HN    PHE   59 - HA    PHE   59   2.82 +/- 0.05  75.274% * 92.6426% (1.00  10.0   4.95  57.87) =  98.119%  kept
          QE    PHE   59 - HA    PHE   59   4.54 +/- 0.22  18.467% *  7.2239% (0.80   1.0   1.95  57.87) =   1.877%  kept
          HN    HIS  122 - HA    PHE   59   9.35 +/- 1.50   2.522% *  0.0562% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   9.01 +/- 1.90   3.438% *  0.0286% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HA    PHE   59  19.00 +/- 3.08   0.299% *  0.0487% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.03, residual support = 20.1:
          HN    PHE   60 - HB3   PHE   59   2.85 +/- 0.58  80.929% * 98.7626% (0.61   4.03  20.10) =  99.949%  kept
          HN    THR  118 - HB3   PHE   59   7.49 +/- 1.44   7.363% *  0.3034% (0.38   0.02  12.17) =   0.028%
          HN    GLN  116 - HB3   PHE   59   6.04 +/- 1.39  11.465% *  0.1416% (0.18   0.02   0.52) =   0.020%
          HN    GLU-  15 - HB3   PHE   59  21.75 +/- 2.20   0.243% *  0.7924% (0.98   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.89, residual support = 71.4:
          QD    PHE   60 - HA    PHE   60   3.12 +/- 0.40  73.543% * 91.2985% (1.00   3.96  72.70) =  97.621%  kept
          QE    PHE   59 - HA    PHE   60   6.14 +/- 1.50  20.204% *  7.9952% (0.25   1.39  20.10) =   2.349%  kept
          HN    LYS+  66 - HA    PHE   60   7.71 +/- 0.59   5.885% *  0.3359% (0.73   0.02   0.02) =   0.029%
          HN    LYS+  81 - HA    PHE   60  20.32 +/- 3.02   0.368% *  0.3704% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.20 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 72.7:
      O   HN    PHE   60 - HA    PHE   60   2.78 +/- 0.11  93.685% * 99.7483% (0.61  10.0   4.92  72.70) =  99.997%  kept
          HN    THR  118 - HA    PHE   60  10.05 +/- 1.72   2.835% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    PHE   60   9.47 +/- 1.64   3.134% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  19.03 +/- 1.94   0.347% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.0, residual support = 41.6:
      O   HN    ALA   61 - HA    PHE   60   3.62 +/- 0.03  92.655% * 99.5823% (0.84  10.0   5.00  41.59) =  99.993%  kept
          HN    TRP   27 - HA    PHE   60  17.28 +/- 3.90   2.431% *  0.1182% (0.99   1.0   0.02   0.02) =   0.003%
          HN    ALA   91 - HA    PHE   60  17.26 +/- 2.71   1.217% *  0.1069% (0.90   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    PHE   60  16.96 +/- 2.88   1.381% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  17.12 +/- 2.17   1.022% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    PHE   60  17.99 +/- 1.81   0.834% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  21.79 +/- 1.95   0.460% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.699, support = 0.641, residual support = 1.54:
          HA    ASP-  44 - HB2   PHE   60   8.39 +/- 2.82  20.839% * 70.3724% (1.00   0.60   2.27) =  63.938%  kept
          HA    ALA   57 - HB2   PHE   60   4.44 +/- 1.10  58.103% * 13.6903% (0.15   0.75   0.25) =  34.681%  kept
          HB    THR   77 - HB2   PHE   60  14.16 +/- 3.43   3.830% *  2.3192% (0.98   0.02   0.02) =   0.387%  kept
          HA1   GLY   51 - HB2   PHE   60  13.56 +/- 2.35   5.626% *  0.8880% (0.38   0.02   0.02) =   0.218%  kept
          HA    ILE  103 - HB2   PHE   60  16.28 +/- 2.17   1.902% *  2.1842% (0.92   0.02   0.02) =   0.181%  kept
          HA    GLU-  79 - HB2   PHE   60  18.17 +/- 3.56   2.414% *  1.3396% (0.57   0.02   0.02) =   0.141%  kept
          HA    THR   39 - HB2   PHE   60  17.25 +/- 3.04   2.311% *  1.1517% (0.49   0.02   0.02) =   0.116%  kept
          HA    SER   85 - HB2   PHE   60  21.02 +/- 3.36   0.947% *  2.3192% (0.98   0.02   0.02) =   0.096%
          HA    MET   11 - HB2   PHE   60  24.52 +/- 4.85   0.842% *  2.3661% (1.00   0.02   0.02) =   0.087%
          HA    ALA   12 - HB2   PHE   60  22.33 +/- 4.38   1.020% *  1.2449% (0.53   0.02   0.02) =   0.055%
          HA    ASP-  86 - HB2   PHE   60  21.12 +/- 3.34   1.043% *  1.1517% (0.49   0.02   0.02) =   0.052%
          HA    GLU-  14 - HB2   PHE   60  19.76 +/- 2.79   1.124% *  0.9727% (0.41   0.02   0.02) =   0.048%
    Distance limit 3.96 A violated in 3 structures by 0.58 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.7:
      O   QD    PHE   60 - HB2   PHE   60   2.46 +/- 0.17  92.472% * 99.7759% (0.76  10.0   3.76  72.70) =  99.997%  kept
          QD    PHE   55 - HB2   PHE   60   8.75 +/- 1.63   4.219% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   PHE   60   9.26 +/- 0.75   1.884% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   PHE   60  13.90 +/- 3.17   1.144% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.67 +/- 3.64   0.282% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.88, residual support = 41.6:
          HN    ALA   61 - HB2   PHE   60   3.33 +/- 0.54  91.104% * 95.7266% (0.38   4.88  41.59) =  99.935%  kept
          HN    TRP   27 - HB2   PHE   60  17.31 +/- 3.85   3.220% *  0.8365% (0.80   0.02   0.02) =   0.031%
          HD1   TRP   87 - HB2   PHE   60  16.80 +/- 2.95   1.066% *  0.9369% (0.90   0.02   0.02) =   0.011%
          HN    THR   39 - HB2   PHE   60  18.68 +/- 2.59   0.712% *  0.9644% (0.92   0.02   0.02) =   0.008%
          HN    ALA   91 - HB2   PHE   60  16.56 +/- 3.58   1.362% *  0.4684% (0.45   0.02   0.02) =   0.007%
          HE3   TRP   87 - HB2   PHE   60  16.91 +/- 3.31   1.516% *  0.1612% (0.15   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB2   PHE   60  22.31 +/- 2.42   0.406% *  0.5496% (0.53   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   PHE   60  19.68 +/- 2.72   0.614% *  0.3564% (0.34   0.02   0.02) =   0.003%
    Distance limit 3.60 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 = 4.79, residual support = 72.7:
      O   HN    PHE   60 - HB2   PHE   60   2.82 +/- 0.56  93.861% * 99.7483% (0.61  10.0   4.79  72.70) =  99.997%  kept
          HN    THR  118 - HB2   PHE   60  11.18 +/- 1.72   2.369% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HB2   PHE   60  10.24 +/- 2.02   3.274% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  19.41 +/- 2.58   0.496% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.83, residual support = 9.49:
        T QD1   LEU   63 - HA    PHE   60   3.28 +/- 1.27  49.138% * 74.0558% (1.00 10.00   3.11  10.37) =  88.090%  kept
        T QD1   LEU   73 - HA    PHE   60  10.54 +/- 3.51  20.468% * 19.3337% (1.00 10.00   0.52   1.55) =   9.580%  kept
          QD2   LEU   63 - HA    PHE   60   4.70 +/- 1.19  18.737% *  4.2198% (0.57  1.00   2.01  10.37) =   1.914%  kept
          QD2   LEU  115 - HA    PHE   60   6.37 +/- 1.28   8.635% *  1.8991% (0.84  1.00   0.61   0.02) =   0.397%  kept
        T QD1   LEU  104 - HA    PHE   60  11.99 +/- 2.34   1.811% *  0.4193% (0.57 10.00   0.02   0.02) =   0.018%
          QD2   LEU   80 - HA    PHE   60  15.12 +/- 2.43   0.554% *  0.0593% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    PHE   60  14.62 +/- 2.15   0.657% *  0.0130% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 1.5, residual support = 10.4:
        T HB2   LEU   63 - HA    PHE   60   3.27 +/- 0.94  57.742% * 98.3735% (0.92 10.00   1.50  10.37) =  99.824%  kept
          HB3   LEU   73 - HA    PHE   60  11.59 +/- 3.58  14.878% *  0.4709% (0.15  1.00   0.43   1.55) =   0.123%  kept
          HB3   ASP-  44 - HA    PHE   60   7.42 +/- 2.16  10.078% *  0.1393% (0.98  1.00   0.02   2.27) =   0.025%
          HB3   PRO   93 - HA    PHE   60   9.89 +/- 3.00   6.479% *  0.1233% (0.87  1.00   0.02   0.02) =   0.014%
          QB    ALA  124 - HA    PHE   60  15.82 +/- 1.21   0.939% *  0.1418% (1.00  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    PHE   60  15.01 +/- 2.19   0.955% *  0.1371% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    PHE   60  10.46 +/- 2.29   3.468% *  0.0316% (0.22  1.00   0.02   0.57) =   0.002%
          QB    ALA   84 - HA    PHE   60  15.87 +/- 2.26   0.744% *  0.1274% (0.90  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    PHE   60  14.90 +/- 2.17   0.925% *  0.0862% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    PHE   60  17.86 +/- 3.04   0.598% *  0.1187% (0.84  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    PHE   60  18.22 +/- 2.81   0.686% *  0.0976% (0.69  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  13.71 +/- 1.91   0.938% *  0.0439% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  17.21 +/- 2.41   0.835% *  0.0485% (0.34  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    PHE   60  20.93 +/- 2.19   0.418% *  0.0354% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.58 +/- 1.88   0.316% *  0.0249% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.47, support = 0.708, residual support = 0.469:
        T QG2   VAL   18 - HA    ALA   61   9.58 +/- 5.00  22.818% * 54.6311% (0.34 10.00   0.63   0.29) =  64.834%  kept
          QD1   ILE   56 - HA    ALA   61   7.99 +/- 1.22  16.655% * 17.9558% (0.61  1.00   1.17   1.73) =  15.554%  kept
          QD2   LEU   73 - HA    ALA   61   8.37 +/- 1.95  18.880% * 13.8518% (0.87  1.00   0.63   0.02) =  13.602%  kept
          QG1   VAL   43 - HA    ALA   61  10.09 +/- 2.30   9.882% *  9.0816% (0.57  1.00   0.63   0.23) =   4.668%  kept
        T QG1   VAL   41 - HA    ALA   61  12.63 +/- 2.15   5.217% *  3.8655% (0.76 10.00   0.02   0.02) =   1.049%  kept
          HG    LEU   31 - HA    ALA   61  16.05 +/- 3.44   6.366% *  0.4881% (0.97  1.00   0.02   0.02) =   0.162%  kept
          QG2   THR   46 - HA    ALA   61   8.38 +/- 2.78  20.181% *  0.1261% (0.25  1.00   0.02   0.02) =   0.132%  kept
    Distance limit 2.99 A violated in 14 structures by 2.14 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.38, residual support = 6.29:
        T QB    ALA   64 - HA    ALA   61   3.56 +/- 0.64  82.488% * 98.7496% (0.34 10.00   2.38   6.30) =  99.880%  kept
        T QG1   VAL   75 - HA    ALA   61   9.61 +/- 1.93   7.498% *  1.0865% (0.38 10.00   0.02   0.02) =   0.100%
          QD1   LEU  115 - HA    ALA   61   8.40 +/- 1.27  10.014% *  0.1639% (0.57  1.00   0.02   0.02) =   0.020%
    Distance limit 3.39 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.3:
          HN    ALA   64 - HA    ALA   61   3.87 +/- 0.58 100.000% *100.0000% (0.84   0.75   6.30) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.14 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   2.77 +/- 0.06  96.100% * 98.9218% (0.38  10.0   2.75  17.91) =  99.994%  kept
          HN    TRP   27 - HA    ALA   61  16.32 +/- 3.49   0.990% *  0.2111% (0.80   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HA    ALA   61  17.77 +/- 3.06   0.497% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    ALA   61  17.35 +/- 2.00   0.456% *  0.2433% (0.92   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  18.25 +/- 3.24   0.541% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  20.99 +/- 2.37   0.260% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  20.13 +/- 3.41   0.385% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  18.04 +/- 4.06   0.771% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 3.77, residual support = 71.9:
      O   QD    PHE   60 - HB3   PHE   60   2.46 +/- 0.18  80.572% * 87.7334% (0.73  10.0   3.78  72.70) =  98.433%  kept
          HN    PHE   59 - HB3   PHE   60   4.93 +/- 0.69  12.244% *  6.8631% (0.28   1.0   4.09  20.10) =   1.170%  kept
          QE    PHE   59 - HB3   PHE   60   7.15 +/- 1.53   5.396% *  5.2376% (0.65   1.0   1.34  20.10) =   0.394%  kept
          HN    LYS+  66 - HB3   PHE   60   9.37 +/- 0.54   1.598% *  0.1206% (1.00   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB3   PHE   60  20.22 +/- 3.54   0.189% *  0.0453% (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 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.92, residual support = 72.7:
      O   HN    PHE   60 - HB3   PHE   60   2.46 +/- 0.58  99.583% * 99.5797% (0.20  10.0   4.92  72.70) =  99.998%  kept
          HN    GLU-  15 - HB3   PHE   60  19.58 +/- 2.63   0.417% *  0.4203% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 3.26 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 = 0.844, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  17.28 +/- 2.67  27.387% * 23.9067% (0.95   0.02   0.02) =  34.123%  kept
          HN    THR   39 - HB3   PHE   60  19.16 +/- 2.44  19.185% * 23.3294% (0.92   0.02   0.02) =  23.327%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.18 +/- 3.00  17.065% * 20.2366% (0.80   0.02   0.02) =  17.999%  kept
          HN    GLU-  36 - HB3   PHE   60  22.83 +/- 2.58  10.310% * 23.9067% (0.95   0.02   0.02) =  12.846%  kept
          HN    TRP   27 - HB3   PHE   60  17.69 +/- 4.20  26.053% *  8.6206% (0.34   0.02   0.02) =  11.705%  kept
    Distance limit 3.69 A violated in 20 structures by 9.72 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 = 5.96:
          HA    LYS+  81 - QB    ALA   84   2.36 +/- 0.32  96.423% * 58.7140% (0.33  1.00   2.31   5.97) =  99.731%  kept
        T HA    ASN   28 - QB    ALA   84  15.55 +/- 5.22   0.683% * 13.7782% (0.89 10.00   0.02   0.02) =   0.166%  kept
        T HA    ALA   34 - QB    ALA   84  19.51 +/- 2.51   0.210% * 11.4067% (0.74 10.00   0.02   0.02) =   0.042%
          HA    LEU  115 - QB    ALA   84  16.47 +/- 1.98   0.829% *  1.3386% (0.87  1.00   0.02   0.02) =   0.020%
        T HA    ALA  124 - QB    ALA   84  26.92 +/- 2.41   0.091% * 11.4067% (0.74 10.00   0.02   0.02) =   0.018%
          HA    ARG+  54 - QB    ALA   84  17.04 +/- 2.54   0.471% *  1.2947% (0.84  1.00   0.02   0.02) =   0.011%
          HA1   GLY  101 - QB    ALA   84  17.46 +/- 3.21   0.365% *  0.8450% (0.55  1.00   0.02   0.02) =   0.005%
          HA    GLU- 114 - QB    ALA   84  18.70 +/- 1.91   0.425% *  0.6136% (0.40  1.00   0.02   0.02) =   0.005%
          HA    THR   26 - QB    ALA   84  17.98 +/- 5.45   0.382% *  0.2303% (0.15  1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   84  23.72 +/- 2.46   0.120% *  0.3722% (0.24  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 0.275, support = 1.76, residual support = 13.9:
          HA    SER   85 - QB    ALA   84   3.79 +/- 0.04  44.290% * 15.3938% (0.15  1.00   2.33  20.68) =  67.164%  kept
          HA    ASP-  86 - QB    ALA   84   6.53 +/- 0.08   8.604% * 20.5320% (0.84  1.00   0.55   0.02) =  17.402%  kept
        T HA    ASP-  44 - QB    ALA   84  10.06 +/- 1.00   2.385% * 60.4366% (0.19 10.00   0.71   0.02) =  14.199%  kept
          HA    TRP   87 - QB    ALA   84   7.01 +/- 0.18   7.091% *  0.9809% (0.27  1.00   0.08   0.02) =   0.685%  kept
          HB    THR   77 - QB    ALA   84   4.77 +/- 2.05  36.466% *  0.1322% (0.15  1.00   0.02   0.02) =   0.475%  kept
          HA    LEU  104 - QB    ALA   84  18.22 +/- 2.14   0.427% *  0.8270% (0.93  1.00   0.02   0.02) =   0.035%
          HA    GLU-  14 - QB    ALA   84  23.39 +/- 4.93   0.241% *  0.7910% (0.89  1.00   0.02   0.02) =   0.019%
          HA    ALA   12 - QB    ALA   84  25.55 +/- 4.74   0.225% *  0.7157% (0.81  1.00   0.02   0.02) =   0.016%
          HA    MET   11 - QB    ALA   84  27.44 +/- 5.12   0.271% *  0.1908% (0.21  1.00   0.02   0.02) =   0.005%
    Distance limit 3.33 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.17, residual support = 17.9:
      O   HN    ALA   84 - QB    ALA   84   2.00 +/- 0.06  96.747% * 98.8488% (0.30  10.0   4.17  17.90) =  99.993%  kept
          HZ2   TRP   87 - QB    ALA   84   8.45 +/- 0.73   1.419% *  0.2326% (0.70   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - QB    ALA   84  13.91 +/- 5.76   0.715% *  0.2872% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - QB    ALA   84  17.01 +/- 1.90   0.176% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  17.19 +/- 2.27   0.186% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  13.31 +/- 3.01   0.501% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  15.82 +/- 2.03   0.255% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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   2.70 +/- 0.11  85.465% * 90.4673% (0.77   3.98  20.68) =  98.555%  kept
          HN    LEU   80 - QB    ALA   84   5.26 +/- 0.61  13.069% *  8.6444% (0.30   0.99   0.02) =   1.440%  kept
          HN    GLN   32 - QB    ALA   84  18.35 +/- 4.61   0.411% *  0.5675% (0.97   0.02   0.02) =   0.003%
          HN    ALA   34 - QB    ALA   84  18.96 +/- 3.28   0.304% *  0.2333% (0.40   0.02   0.02) =   0.001%
          HN    CYS   53 - QB    ALA   84  14.98 +/- 2.61   0.751% *  0.0876% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.32 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 = 0.926, support = 1.17, residual support = 28.0:
          HN    LEU  123 - QB    ALA  120   3.96 +/- 0.07  67.924% * 88.4099% (0.94   1.20  28.88) =  96.835%  kept
          HN    ALA  124 - QB    ALA  120   6.33 +/- 0.38  17.142% * 10.5084% (0.57   0.23   0.02) =   2.905%  kept
          HE21  GLN   17 - QB    ALA  120  19.56 +/- 6.06  14.934% *  1.0818% (0.69   0.02   0.02) =   0.261%  kept
    Distance limit 2.85 A violated in 0 structures by 1.02 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 1.98, residual support = 5.21:
        T HA    SER  117 - QB    ALA  120   3.20 +/- 0.59  92.209% * 99.0999% (0.54 10.00   1.98   5.21) =  99.984%  kept
        T HB    THR   26 - QB    ALA  120  21.81 +/- 6.50   2.375% *  0.3939% (0.21 10.00   0.02   0.02) =   0.010%
          HA    ALA   57 - QB    ALA  120  12.92 +/- 1.19   1.645% *  0.1674% (0.89  1.00   0.02   0.02) =   0.003%
          HA    THR   39 - QB    ALA  120  18.90 +/- 4.22   1.181% *  0.1002% (0.54  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA  120  18.41 +/- 2.76   0.731% *  0.1215% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QB    ALA  120  15.53 +/- 3.62   1.601% *  0.0310% (0.17  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA  120  24.07 +/- 2.59   0.258% *  0.0861% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.05 +/- 0.08  95.622% * 99.3531% (0.97  10.0   4.00  17.91) =  99.997%  kept
          HN    ALA   91 - QB    ALA  110  11.55 +/- 2.69   0.983% *  0.0755% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA  110  12.71 +/- 2.09   0.546% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  14.67 +/- 2.95   0.400% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  15.85 +/- 3.91   0.489% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  15.53 +/- 2.98   0.353% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.18 +/- 2.55   0.477% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  15.63 +/- 2.94   0.331% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  15.92 +/- 2.16   0.279% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.51 +/- 2.31   0.347% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  21.23 +/- 2.76   0.103% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.32 +/- 1.88   0.070% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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   2.77 +/- 0.18  77.783% * 99.6796% (0.87  10.0   2.12   9.58) =  99.989%  kept
          HN    PHE   45 - QB    ALA   61   9.62 +/- 2.62   5.356% *  0.0550% (0.48   1.0   0.02   0.02) =   0.004%
          HN    ASP-  44 - QB    ALA   61   8.76 +/- 2.29  11.661% *  0.0236% (0.21   1.0   0.02   0.35) =   0.004%
          HN    PHE   45 - QB    ALA  110  10.43 +/- 2.12   2.474% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   61  13.97 +/- 2.11   0.745% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA  110  13.14 +/- 2.22   1.179% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  16.52 +/- 3.27   0.616% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  22.57 +/- 3.15   0.186% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 2.76, residual support = 8.08:
          HN    ASP-  62 - QB    ALA   61   2.77 +/- 0.29  80.389% * 80.3665% (1.00   2.79   8.18) =  98.848%  kept
          HN    PHE   55 - QB    ALA  110  10.17 +/- 3.45   5.200% *  5.3985% (0.33   0.56   0.02) =   0.430%  kept
          HN    PHE   55 - QB    ALA   61   9.34 +/- 1.44   3.395% *  7.7253% (0.45   0.60   0.02) =   0.401%  kept
          HN    ARG+  54 - QB    ALA  110  10.81 +/- 3.39   4.750% *  2.6454% (0.64   0.14   0.02) =   0.192%  kept
          HN    ARG+  54 - QB    ALA   61   9.44 +/- 1.68   3.568% *  2.0390% (0.87   0.08   0.02) =   0.111%  kept
          HN    LEU   31 - QB    ALA   61  15.20 +/- 2.66   0.923% *  0.5663% (0.98   0.02   0.02) =   0.008%
          HN    ASP-  62 - QB    ALA  110  13.43 +/- 1.98   0.989% *  0.4266% (0.74   0.02   0.02) =   0.006%
          HN    LYS+  38 - QB    ALA   61  17.67 +/- 2.25   0.438% *  0.2375% (0.41   0.02   0.02) =   0.002%
          HN    LEU   31 - QB    ALA  110  21.73 +/- 2.07   0.213% *  0.4191% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  38 - QB    ALA  110  24.95 +/- 1.88   0.135% *  0.1758% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.788, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  18.22 +/- 3.10  27.424% * 28.1529% (1.00   0.02   0.02) =  36.965%  kept
          HA    GLU-  14 - HB2   ASP-  62  19.62 +/- 3.60  22.898% * 21.5631% (0.76   0.02   0.02) =  23.640%  kept
          HA    ALA   12 - HB2   ASP-  62  22.06 +/- 5.80  21.779% * 18.2527% (0.65   0.02   0.02) =  19.033%  kept
          HA    TRP   87 - HB2   ASP-  62  22.17 +/- 3.74  17.141% * 12.6499% (0.45   0.02   0.02) =  10.381%  kept
          HA    ASP-  86 - HB2   ASP-  62  24.69 +/- 2.98  10.757% * 19.3814% (0.69   0.02   0.02) =   9.982%  kept
    Distance limit 3.53 A violated in 20 structures by 10.93 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  23.99 +/- 2.94  10.929% * 70.6236% (0.67 10.00   0.02   0.02) =  53.094%  kept
          HA    LEU  104 - HB3   ASP-  62  17.61 +/- 2.67  27.599% * 10.2586% (0.98  1.00   0.02   0.02) =  19.475%  kept
          HA    GLU-  14 - HB3   ASP-  62  19.24 +/- 3.63  22.322% *  7.8573% (0.75  1.00   0.02   0.02) =  12.065%  kept
          HA    ALA   12 - HB3   ASP-  62  21.76 +/- 5.90  21.023% *  6.6511% (0.63  1.00   0.02   0.02) =   9.618%  kept
          HA    TRP   87 - HB3   ASP-  62  21.46 +/- 3.72  18.127% *  4.6095% (0.44  1.00   0.02   0.02) =   5.748%  kept
    Distance limit 3.26 A violated in 20 structures by 10.82 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 = 4.12:
          HN    LYS+  65 - HA    ASP-  62   3.71 +/- 0.51 100.000% *100.0000% (0.15   1.09   4.12) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.76 +/- 0.06  96.837% * 99.7294% (1.00  10.0   3.83  40.99) =  99.998%  kept
          HN    ARG+  54 - HA    ASP-  62  13.59 +/- 2.38   1.289% *  0.0867% (0.87   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ASP-  62  13.23 +/- 1.80   1.156% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ASP-  62  18.21 +/- 2.81   0.461% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  20.37 +/- 1.44   0.256% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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   3.62 +/- 0.44  88.710% * 97.2164% (0.97   5.24  42.33) =  99.843%  kept
          HN    ILE   56 - HB2   ASP-  62   9.71 +/- 1.60   6.822% *  1.8597% (0.90   0.11   0.02) =   0.147%  kept
          HN    LYS+ 111 - HB2   ASP-  62  15.08 +/- 2.03   1.837% *  0.2025% (0.53   0.02   0.02) =   0.004%
          HD21  ASN   28 - HB2   ASP-  62  20.66 +/- 4.72   1.088% *  0.2643% (0.69   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HB2   ASP-  62  19.67 +/- 3.11   0.715% *  0.1873% (0.49   0.02   0.02) =   0.002%
          HN    ALA   84 - HB2   ASP-  62  22.02 +/- 2.54   0.485% *  0.2025% (0.53   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB2   ASP-  62  25.93 +/- 3.46   0.343% *  0.0674% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.04 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   2.45 +/- 0.32  98.335% * 99.6462% (0.69  10.0   3.83  40.99) =  99.998%  kept
          HN    ARG+  54 - HB2   ASP-  62  12.47 +/- 2.47   1.210% *  0.1400% (0.97   1.0   0.02   0.02) =   0.002%
          HN    LEU   31 - HB2   ASP-  62  19.42 +/- 3.02   0.294% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  21.68 +/- 1.64   0.160% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.12 +/- 0.71  89.344% * 97.2164% (0.95   5.24  42.33) =  99.851%  kept
          HN    ILE   56 - HB3   ASP-  62   9.96 +/- 1.50   6.525% *  1.8597% (0.88   0.11   0.02) =   0.140%  kept
          HN    LYS+ 111 - HB3   ASP-  62  14.85 +/- 2.11   1.735% *  0.2025% (0.52   0.02   0.02) =   0.004%
          HD21  ASN   28 - HB3   ASP-  62  20.01 +/- 5.08   0.670% *  0.2643% (0.67   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB3   ASP-  62  18.94 +/- 2.95   0.866% *  0.1873% (0.48   0.02   0.02) =   0.002%
          HN    ALA   84 - HB3   ASP-  62  21.39 +/- 2.59   0.623% *  0.2025% (0.52   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   ASP-  62  25.42 +/- 3.76   0.237% *  0.0674% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.10 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   2.72 +/- 0.48  93.829% * 99.7294% (0.98  10.0   3.83  40.99) =  99.995%  kept
          HN    ARG+  54 - HB3   ASP-  62  12.56 +/- 2.70   2.749% *  0.0867% (0.85   1.0   0.02   0.02) =   0.003%
          HN    PHE   55 - HB3   ASP-  62  11.96 +/- 2.08   2.532% *  0.0448% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   ASP-  62  18.84 +/- 3.30   0.618% *  0.0980% (0.96   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB3   ASP-  62  21.17 +/- 2.09   0.271% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.839, support = 2.66, residual support = 5.19:
          QB    LYS+  66 - HA    LEU   63   3.86 +/- 0.91  49.071% * 51.3466% (1.00   2.19   6.29) =  63.165%  kept
          QB    LYS+  65 - HA    LEU   63   4.74 +/- 0.75  31.610% * 46.2988% (0.57   3.49   3.33) =  36.689%  kept
          HB2   LEU   71 - HA    LEU   63  11.54 +/- 2.36   9.336% *  0.2466% (0.53   0.02   0.02) =   0.058%
          HG2   PRO   93 - HA    LEU   63  14.55 +/- 4.37   3.277% *  0.4204% (0.90   0.02   0.02) =   0.035%
          HG    LEU  123 - HA    LEU   63  12.52 +/- 3.47   2.792% *  0.2654% (0.57   0.02   0.02) =   0.019%
          HB    VAL   41 - HA    LEU   63  13.70 +/- 1.79   1.362% *  0.4434% (0.95   0.02   0.02) =   0.015%
          HB3   PRO   52 - HA    LEU   63  16.45 +/- 3.52   1.287% *  0.2654% (0.57   0.02   0.02) =   0.009%
          HG12  ILE  103 - HA    LEU   63  16.40 +/- 2.63   0.772% *  0.3915% (0.84   0.02   0.02) =   0.008%
          QB    LYS+ 102 - HA    LEU   63  17.99 +/- 2.15   0.493% *  0.3220% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.30 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.575, support = 1.98, residual support = 6.69:
          HN    LYS+  66 - HA    LEU   63   3.74 +/- 0.50  65.691% * 53.1479% (0.53   2.17   6.29) =  85.038%  kept
          QD    PHE   60 - HA    LEU   63   6.74 +/- 0.49  12.635% * 42.1397% (0.97   0.94  10.37) =  12.968%  kept
          QE    PHE   59 - HA    LEU   63   7.28 +/- 2.24  21.288% *  3.8302% (0.14   0.61   0.02) =   1.986%  kept
          HN    LYS+  81 - HA    LEU   63  22.05 +/- 2.56   0.386% *  0.8822% (0.95   0.02   0.02) =   0.008%
    Distance limit 3.71 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 239.9:
      O   HN    LEU   63 - HA    LEU   63   2.80 +/- 0.08  93.907% * 99.6457% (1.00  10.0   7.54 239.87) =  99.996%  kept
          HN    ILE   56 - HA    LEU   63  11.92 +/- 2.28   2.239% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HA    LEU   63  18.20 +/- 5.33   2.240% *  0.0486% (0.49   1.0   0.02   0.10) =   0.001%
          HN    LYS+ 111 - HA    LEU   63  16.40 +/- 2.68   0.661% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    LEU   63  20.75 +/- 2.26   0.253% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  17.74 +/- 2.87   0.445% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  23.21 +/- 3.64   0.255% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.486, support = 1.5, residual support = 10.3:
        T HA    PHE   60 - HB2   LEU   63   3.27 +/- 0.94  75.033% * 95.5936% (0.49 10.00   1.50  10.37) =  99.664%  kept
          HA    LYS+  65 - HB2   LEU   63   7.65 +/- 0.25   9.227% *  2.0892% (0.18  1.00   0.91   3.33) =   0.268%  kept
          HB    THR   94 - HB2   LEU   63  12.99 +/- 2.89   2.073% *  1.1116% (0.87  1.00   0.10   0.02) =   0.032%
          QB    SER  117 - HB2   LEU   63  11.92 +/- 2.33   2.915% *  0.2567% (0.98  1.00   0.02   0.02) =   0.010%
          HA    LYS+ 121 - HB2   LEU   63  14.00 +/- 2.67   2.583% *  0.2417% (0.92  1.00   0.02   0.02) =   0.009%
          HA    ALA  120 - HB2   LEU   63  12.89 +/- 2.75   4.006% *  0.1378% (0.53  1.00   0.02   0.02) =   0.008%
          QB    SER   48 - HB2   LEU   63  15.53 +/- 3.75   1.367% *  0.2001% (0.76  1.00   0.02   0.02) =   0.004%
          HA2   GLY   51 - HB2   LEU   63  16.39 +/- 3.41   1.080% *  0.2527% (0.97  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HB2   LEU   63  16.57 +/- 3.31   1.339% *  0.0583% (0.22  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU   63  21.14 +/- 2.31   0.378% *  0.0583% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.58, residual support = 54.7:
          HN    ALA   64 - HB2   LEU   63   3.16 +/- 0.44 100.000% *100.0000% (0.57   7.58  54.66) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 2.62, residual support = 15.5:
          QE    PHE   72 - HB2   LEU   63   5.69 +/- 1.39  74.702% * 99.3442% (0.99   2.63  15.53) =  99.889%  kept
          HN    ALA   47 - HB2   LEU   63  13.40 +/- 3.18  12.136% *  0.3421% (0.45   0.02   0.02) =   0.056%
          HD22  ASN   28 - HB2   LEU   63  16.79 +/- 4.67  13.162% *  0.3137% (0.41   0.02   0.10) =   0.056%
    Distance limit 4.09 A violated in 11 structures by 1.66 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.06, residual support = 239.9:
      O   HN    LEU   63 - HB2   LEU   63   2.17 +/- 0.20  96.413% * 99.6457% (1.00  10.0   8.06 239.87) =  99.997%  kept
          HN    ILE   56 - HB2   LEU   63  10.55 +/- 2.11   1.559% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB2   LEU   63  17.41 +/- 5.09   1.061% *  0.0486% (0.49   1.0   0.02   0.10) =   0.001%
          HN    LYS+ 111 - HB2   LEU   63  15.16 +/- 2.54   0.438% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  19.68 +/- 2.37   0.159% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  16.74 +/- 2.75   0.247% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  22.74 +/- 3.60   0.124% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   4.62 +/- 0.27  76.258% * 98.5516% (0.76   4.55  42.33) =  99.876%  kept
          HN    PHE   55 - HB2   LEU   63  12.39 +/- 2.66   9.990% *  0.5085% (0.90   0.02   0.02) =   0.068%
          HN    LEU   31 - HB2   LEU   63  15.98 +/- 3.35   4.313% *  0.4736% (0.84   0.02   0.02) =   0.027%
          HN    ARG+  54 - HB2   LEU   63  12.93 +/- 3.00   8.465% *  0.2331% (0.41   0.02   0.02) =   0.026%
          HN    ALA   88 - HB2   LEU   63  20.64 +/- 2.73   0.974% *  0.2331% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.28 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.73, residual support = 54.7:
          HN    ALA   64 - HB3   LEU   63   3.61 +/- 0.59 100.000% *100.0000% (0.57   6.73  54.66) = 100.000%  kept
    Distance limit 4.15 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 = 3.17, residual support = 15.5:
        T HZ    PHE   72 - HB3   LEU   63   5.80 +/- 2.13  72.949% * 99.9822% (0.87 10.00   3.17  15.53) =  99.993%  kept
          HZ2   TRP   27 - HB3   LEU   63  13.68 +/- 4.72  27.051% *  0.0178% (0.15  1.00   0.02   1.02) =   0.007%
    Distance limit 4.03 A violated in 10 structures by 2.04 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.6, residual support = 239.8:
      O   HN    LEU   63 - HB3   LEU   63   3.32 +/- 0.19  86.712% * 99.6457% (1.00  10.0   7.60 239.87) =  99.989%  kept
          HN    ILE   56 - HB3   LEU   63  11.58 +/- 2.44   5.055% *  0.0990% (0.99   1.0   0.02   0.02) =   0.006%
          HD21  ASN   28 - HB3   LEU   63  17.22 +/- 5.49   4.956% *  0.0486% (0.49   1.0   0.02   0.10) =   0.003%
          HN    LYS+ 111 - HB3   LEU   63  15.78 +/- 2.97   1.435% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LEU   63  19.70 +/- 2.29   0.488% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  16.59 +/- 2.89   0.915% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  22.41 +/- 3.96   0.439% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 7.55, residual support = 239.4:
          HN    LEU   63 - HG    LEU   63   3.45 +/- 0.63  68.751% * 98.3354% (0.76   7.57 239.87) =  99.781%  kept
          QE    PHE   60 - HG    LEU   63   6.88 +/- 1.82  16.348% *  0.6814% (0.20   0.20  10.37) =   0.164%  kept
          HD21  ASN   28 - HG    LEU   63  17.02 +/- 5.40   6.826% *  0.3140% (0.92   0.02   0.10) =   0.032%
          HN    ILE   56 - HG    LEU   63  11.53 +/- 2.64   5.019% *  0.2201% (0.65   0.02   0.02) =   0.016%
          HZ2   TRP   87 - HG    LEU   63  16.59 +/- 3.39   1.115% *  0.2600% (0.76   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HG    LEU   63  15.79 +/- 2.83   1.442% *  0.0946% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - HG    LEU   63  19.84 +/- 2.86   0.500% *  0.0946% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.15, support = 2.81, residual support = 9.36:
        T HA    PHE   60 - QD1   LEU   63   3.28 +/- 1.27  39.730% * 58.2543% (0.14 10.00   3.11  10.37) =  88.817%  kept
        T HA    PHE   60 - QD1   LEU   73  10.54 +/- 3.51  15.127% * 15.2084% (0.14 10.00   0.52   1.55) =   8.829%  kept
          HA    ALA  120 - QD1   LEU   63  10.92 +/- 2.99   3.345% *  6.1135% (0.95  1.00   0.30   0.02) =   0.785%  kept
          HB    THR   94 - QD1   LEU   63  10.52 +/- 3.21   2.003% *  8.5238% (0.97  1.00   0.41   0.02) =   0.655%  kept
          HB    THR   94 - QD1   LEU   73  10.53 +/- 2.54   2.310% *  3.6423% (0.97  1.00   0.18   0.02) =   0.323%  kept
          HA    LYS+  65 - QD1   LEU   63   7.72 +/- 0.68   3.725% *  1.7355% (0.57  1.00   0.14   3.33) =   0.248%  kept
          QB    SER  117 - QD1   LEU   63   9.94 +/- 2.66   1.945% *  1.1983% (0.61  1.00   0.09   0.02) =   0.089%
          HA    LYS+  65 - QD1   LEU   73   9.74 +/- 2.44   4.065% *  0.2437% (0.57  1.00   0.02   0.02) =   0.038%
          HA    LYS+ 121 - QD1   LEU  104  11.30 +/- 6.07   7.651% *  0.0973% (0.23  1.00   0.02   0.02) =   0.029%
          HA    LYS+ 121 - QD1   LEU   63  11.75 +/- 2.85   1.724% *  0.3974% (0.92  1.00   0.02   0.02) =   0.026%
          QB    SER   48 - QD1   LEU   63  13.27 +/- 3.26   1.346% *  0.4295% (1.00  1.00   0.02   0.02) =   0.022%
          HA2   GLY   51 - QD1   LEU   63  14.03 +/- 2.94   1.029% *  0.3734% (0.87  1.00   0.02   0.02) =   0.015%
          QB    SER   48 - QD1   LEU   73  13.32 +/- 2.31   0.874% *  0.4295% (1.00  1.00   0.02   0.02) =   0.014%
          HA    LYS+ 121 - QD1   LEU   73  17.65 +/- 4.38   0.936% *  0.3974% (0.92  1.00   0.02   0.02) =   0.014%
          QB    SER  117 - QD1   LEU   73  15.17 +/- 4.20   1.349% *  0.2611% (0.61  1.00   0.02   0.02) =   0.014%
          HA    ALA  120 - QD1   LEU   73  18.02 +/- 4.10   0.721% *  0.4072% (0.95  1.00   0.02   0.02) =   0.011%
          HA2   GLY   16 - QD1   LEU   63  13.60 +/- 2.38   0.928% *  0.2785% (0.65  1.00   0.02   0.02) =   0.010%
          HA2   GLY   51 - QD1   LEU   73  17.21 +/- 3.97   0.657% *  0.3734% (0.87  1.00   0.02   0.02) =   0.009%
          QB    SER   85 - QD1   LEU   73  13.27 +/- 2.23   0.851% *  0.2785% (0.65  1.00   0.02   0.02) =   0.009%
          HA2   GLY   16 - QD1   LEU   73  14.75 +/- 5.22   0.814% *  0.2785% (0.65  1.00   0.02   0.02) =   0.009%
        T HA    PHE   60 - QD1   LEU  104  11.99 +/- 2.34   1.552% *  0.1426% (0.03 10.00   0.02   0.02) =   0.008%
          HA    ALA  120 - QD1   LEU  104  13.37 +/- 4.74   2.178% *  0.0997% (0.23  1.00   0.02   0.02) =   0.008%
          HB    THR   94 - QD1   LEU  104  12.96 +/- 1.44   0.992% *  0.1017% (0.24  1.00   0.02   0.02) =   0.004%
          QB    SER  117 - QD1   LEU  104  11.91 +/- 2.39   1.432% *  0.0639% (0.15  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - QD1   LEU   63  17.34 +/- 2.83   0.296% *  0.2785% (0.65  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - QD1   LEU  104  13.56 +/- 2.37   0.898% *  0.0597% (0.14  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU  104  15.92 +/- 4.10   0.610% *  0.0682% (0.16  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD1   LEU  104  18.61 +/- 2.82   0.359% *  0.1051% (0.24  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD1   LEU  104  17.37 +/- 2.42   0.358% *  0.0682% (0.16  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  21.85 +/- 3.20   0.195% *  0.0914% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.464, support = 2.62, residual support = 11.4:
        T HZ3   TRP   27 - QD1   LEU   73   5.57 +/- 3.82  42.359% * 68.1012% (0.49 10.00   2.96  13.44) =  83.468%  kept
        T HZ3   TRP   27 - QD1   LEU   63   9.15 +/- 3.07  17.012% * 21.1006% (0.49 10.00   0.62   1.02) =  10.386%  kept
        T HZ3   TRP   27 - QD1   LEU  104   9.60 +/- 3.61  19.920% * 10.5702% (0.12 10.00   1.27   1.83) =   6.092%  kept
          HZ    PHE   45 - QD1   LEU   73   8.60 +/- 2.79  13.863% *  0.1016% (0.73  1.00   0.02   0.02) =   0.041%
          HZ    PHE   45 - QD1   LEU   63  11.89 +/- 2.55   3.582% *  0.1016% (0.73  1.00   0.02   0.02) =   0.011%
          HZ    PHE   45 - QD1   LEU  104  12.12 +/- 2.54   3.264% *  0.0249% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 1 structures by 0.15 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.839, support = 1.69, residual support = 6.62:
          QD    PHE   60 - QD1   LEU   63   4.14 +/- 1.54  29.229% * 28.0096% (0.87   1.72  10.37) =  53.533%  kept
          QD    PHE   60 - QD1   LEU   73   8.97 +/- 3.10  11.632% * 35.8670% (0.87   2.21   1.55) =  27.280%  kept
          HN    LYS+  66 - QD1   LEU   63   6.00 +/- 0.70   7.342% * 21.3774% (0.95   1.21   6.29) =  10.262%  kept
          QE    PHE   59 - QD1   LEU   63   5.77 +/- 2.61  21.273% *  4.3239% (0.49   0.47   0.02) =   6.015%  kept
          QE    PHE   59 - QD1   LEU   73  11.43 +/- 4.22   9.626% *  1.9563% (0.49   0.21   0.02) =   1.231%  kept
          HN    PHE   59 - QD1   LEU   63   6.76 +/- 1.07   8.459% *  1.8896% (0.18   0.58   0.02) =   1.045%  kept
          HN    LYS+  66 - QD1   LEU   73  10.79 +/- 1.79   1.153% *  5.2023% (0.95   0.29   0.02) =   0.392%  kept
          HN    PHE   59 - QD1   LEU   73  13.21 +/- 4.14   4.354% *  0.7039% (0.18   0.21   0.02) =   0.200%  kept
          HN    LYS+  81 - QD1   LEU   73  12.54 +/- 2.65   1.120% *  0.1973% (0.53   0.02   0.02) =   0.014%
          QD    PHE   60 - QD1   LEU  104  11.65 +/- 2.71   1.383% *  0.0796% (0.21   0.02   0.02) =   0.007%
          QE    PHE   59 - QD1   LEU  104  10.31 +/- 3.14   2.135% *  0.0447% (0.12   0.02   0.02) =   0.006%
          HN    LYS+  66 - QD1   LEU  104  12.63 +/- 2.28   1.085% *  0.0868% (0.23   0.02   0.02) =   0.006%
          HN    LYS+  81 - QD1   LEU   63  17.49 +/- 3.18   0.407% *  0.1973% (0.53   0.02   0.02) =   0.005%
          HN    PHE   59 - QD1   LEU  104  14.11 +/- 2.97   0.644% *  0.0161% (0.04   0.02   0.02) =   0.001%
          HN    LYS+  81 - QD1   LEU  104  19.69 +/- 2.73   0.158% *  0.0483% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.744, support = 5.86, residual support = 213.2:
          HN    LEU   63 - QD1   LEU   63   3.50 +/- 0.70  30.821% * 64.3235% (0.76   6.45 239.87) =  88.720%  kept
          HD21  ASN   28 - QD1   LEU   73   9.18 +/- 3.95   5.644% * 15.3965% (0.92   1.28   0.34) =   3.889%  kept
          QE    PHE   60 - QD1   LEU   63   5.30 +/- 1.87  19.093% *  4.3313% (0.20   1.68  10.37) =   3.701%  kept
          HD21  ASN   28 - QD1   LEU   63  13.81 +/- 4.87   5.498% *  6.4648% (0.92   0.54   0.10) =   1.591%  kept
          QE    PHE   60 - QD1   LEU   73   9.23 +/- 2.64   6.279% *  3.0902% (0.20   1.20   1.55) =   0.868%  kept
          HD21  ASN   28 - QD1   LEU  104  14.54 +/- 4.50   5.013% *  2.4485% (0.23   0.83   0.44) =   0.549%  kept
          HZ2   TRP   87 - QD1   LEU   73   9.61 +/- 3.90   7.236% *  1.2158% (0.76   0.12   0.02) =   0.394%  kept
          HN    LEU   63 - QD1   LEU   73  10.61 +/- 2.41   2.766% *  1.7153% (0.76   0.17   0.02) =   0.212%  kept
          HN    ILE   56 - QD1   LEU   73  14.85 +/- 4.22   3.208% *  0.1688% (0.65   0.02   0.02) =   0.024%
          HN    ILE   56 - QD1   LEU   63   9.32 +/- 1.83   2.199% *  0.1688% (0.65   0.02   0.02) =   0.017%
          HZ2   TRP   87 - QD1   LEU   63  13.49 +/- 3.03   1.325% *  0.1994% (0.76   0.02   0.02) =   0.012%
          HN    LYS+ 111 - QD1   LEU   63  12.45 +/- 3.03   1.533% *  0.0725% (0.28   0.02   0.02) =   0.005%
          HN    ALA   84 - QD1   LEU   73  11.71 +/- 2.30   1.350% *  0.0725% (0.28   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD1   LEU   73  16.56 +/- 4.37   1.113% *  0.0725% (0.28   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD1   LEU  104  12.35 +/- 4.94   1.569% *  0.0488% (0.19   0.02   0.02) =   0.003%
          HN    LEU   63 - QD1   LEU  104  11.91 +/- 2.11   1.189% *  0.0488% (0.19   0.02   0.02) =   0.003%
          HN    ALA   84 - QD1   LEU   63  16.15 +/- 3.03   0.623% *  0.0725% (0.28   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU  104  12.34 +/- 3.13   2.469% *  0.0126% (0.05   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU  104  17.15 +/- 3.26   0.332% *  0.0413% (0.16   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU  104  16.30 +/- 2.03   0.428% *  0.0178% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  17.44 +/- 2.80   0.312% *  0.0178% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.04 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   2.79 +/- 0.07 100.000% *100.0000% (0.97  10.0   4.22  20.61) = 100.000%  kept
    Distance limit 3.60 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 = 0.728, support = 3.16, residual support = 45.9:
        T QD    PHE   72 - HA    ALA   64   3.69 +/- 0.75  42.601% * 60.4788% (0.87 10.00   3.16  45.90) =  53.773%  kept
        T HZ    PHE   72 - HA    ALA   64   3.27 +/- 1.15  56.110% * 39.4733% (0.57 10.00   3.15  45.90) =  46.226%  kept
          QE    PHE   45 - HA    ALA   64  11.66 +/- 1.33   1.288% *  0.0479% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 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 = 0.877, support = 1.24, residual support = 3.18:
          HN    LEU   67 - HA    ALA   64   3.29 +/- 0.59  76.257% * 60.2975% (0.87   1.31   3.42) =  91.078%  kept
          QE    PHE   95 - HA    ALA   64   9.62 +/- 2.47  14.074% * 31.0898% (0.98   0.60   0.81) =   8.667%  kept
          HN    THR   23 - HA    ALA   64  15.22 +/- 2.93   1.268% *  6.3602% (0.99   0.12   0.02) =   0.160%  kept
          HE3   TRP   27 - HA    ALA   64  11.11 +/- 2.34   4.815% *  0.6031% (0.57   0.02   0.02) =   0.058%
          QD    PHE   55 - HA    ALA   64  14.27 +/- 1.85   1.272% *  0.6891% (0.65   0.02   0.02) =   0.017%
          HD2   HIS   22 - HA    ALA   64  15.45 +/- 3.91   1.710% *  0.3998% (0.38   0.02   0.02) =   0.014%
          HD1   TRP   49 - HA    ALA   64  18.46 +/- 3.48   0.604% *  0.5605% (0.53   0.02   0.02) =   0.007%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.595, support = 2.92, residual support = 4.76:
          QD2   LEU   73 - QB    ALA   64   4.86 +/- 1.56  24.846% * 43.4920% (0.38   4.38   4.67) =  49.586%  kept
          QG2   VAL   18 - QB    ALA   64   7.11 +/- 4.69  24.586% * 37.5497% (0.84   1.70   5.77) =  42.363%  kept
          QG2   THR   46 - QB    ALA   64   7.13 +/- 1.78  11.641% *  6.7726% (0.73   0.35   0.02) =   3.618%  kept
          QD1   ILE   19 - QB    ALA   64   8.57 +/- 3.35   7.826% *  6.3420% (0.38   0.64   0.02) =   2.277%  kept
          QG1   VAL   43 - QB    ALA   64   6.72 +/- 1.57  11.779% *  2.6553% (0.98   0.10   0.02) =   1.435%  kept
          QG1   VAL   41 - QB    ALA   64   8.12 +/- 1.31   5.130% *  2.6850% (0.99   0.10   0.02) =   0.632%  kept
          QD1   ILE   56 - QB    ALA   64   8.15 +/- 1.33   8.544% *  0.0928% (0.18   0.02   0.02) =   0.036%
          HG    LEU   31 - QB    ALA   64  11.05 +/- 2.45   2.586% *  0.2787% (0.53   0.02   0.02) =   0.033%
          QD2   LEU  104 - QB    ALA   64  10.76 +/- 1.77   3.062% *  0.1321% (0.25   0.02   0.02) =   0.019%
    Distance limit 2.98 A violated in 5 structures by 0.70 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.893, support = 1.87, residual support = 5.28:
          HG    LEU   73 - QB    ALA   64   6.53 +/- 1.78  12.537% * 29.2211% (0.87   2.72   4.67) =  26.004%  kept
          HB3   LEU   67 - QB    ALA   64   4.92 +/- 1.29  20.984% * 17.0935% (0.99   1.39   3.42) =  25.461%  kept
          QB    ALA   61 - QB    ALA   64   4.37 +/- 0.49  22.280% * 13.6063% (0.92   1.19   6.30) =  21.519%  kept
          QG    LYS+  66 - QB    ALA   64   5.96 +/- 0.55   9.442% * 28.1722% (0.98   2.32   8.71) =  18.881%  kept
          HG    LEU   67 - QB    ALA   64   5.47 +/- 1.01  13.302% *  5.9484% (0.28   1.73   3.42) =   5.616%  kept
          HG12  ILE   19 - QB    ALA   64   9.65 +/- 4.42   6.643% *  5.1138% (0.65   0.64   0.02) =   2.411%  kept
          HG    LEU   40 - QB    ALA   64   7.07 +/- 1.33   7.796% *  0.0930% (0.38   0.02   0.02) =   0.051%
          HB3   LEU  115 - QB    ALA   64   9.90 +/- 1.47   2.464% *  0.0930% (0.38   0.02   0.02) =   0.016%
          HG    LEU   80 - QB    ALA   64  13.16 +/- 2.49   1.024% *  0.1894% (0.76   0.02   0.02) =   0.014%
          QB    ALA  110 - QB    ALA   64  12.83 +/- 1.81   0.995% *  0.1799% (0.73   0.02   0.02) =   0.013%
          HG2   LYS+ 102 - QB    ALA   64  16.74 +/- 1.73   0.426% *  0.1894% (0.76   0.02   0.02) =   0.006%
          HB2   LEU   80 - QB    ALA   64  13.08 +/- 2.10   0.954% *  0.0618% (0.25   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QB    ALA   64  13.35 +/- 2.24   1.153% *  0.0382% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.911, support = 2.06, residual support = 5.33:
          HB3   LEU   67 - HA    ALA   64   4.09 +/- 1.67  32.568% * 27.0381% (0.99   1.92   3.42) =  47.684%  kept
          QG    LYS+  66 - HA    ALA   64   5.63 +/- 0.86  17.639% * 34.1798% (0.98   2.45   8.71) =  32.647%  kept
          HG    LEU   67 - HA    ALA   64   4.80 +/- 1.20  17.942% *  9.2463% (0.28   2.34   3.42) =   8.984%  kept
          HG    LEU   73 - HA    ALA   64   9.10 +/- 1.99   6.172% * 20.7072% (0.87   1.68   4.67) =   6.921%  kept
          QB    ALA   61 - HA    ALA   64   6.64 +/- 0.41   8.740% *  7.6745% (0.92   0.58   6.30) =   3.632%  kept
          HG12  ILE   19 - HA    ALA   64  12.22 +/- 4.89   6.950% *  0.1841% (0.65   0.02   0.02) =   0.069%
          HG    LEU   40 - HA    ALA   64   7.85 +/- 1.13   5.933% *  0.1068% (0.38   0.02   0.02) =   0.034%
          HB3   LEU  115 - HA    ALA   64  12.56 +/- 1.42   1.229% *  0.1068% (0.38   0.02   0.02) =   0.007%
          HG    LEU   80 - HA    ALA   64  16.74 +/- 2.59   0.590% *  0.2175% (0.76   0.02   0.02) =   0.007%
          QB    ALA  110 - HA    ALA   64  16.16 +/- 2.01   0.565% *  0.2066% (0.73   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HA    ALA   64  19.82 +/- 1.79   0.309% *  0.2175% (0.76   0.02   0.02) =   0.004%
          HB2   LEU   80 - HA    ALA   64  16.59 +/- 2.15   0.586% *  0.0710% (0.25   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    ALA   64  15.87 +/- 3.22   0.776% *  0.0439% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.21 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 3.73, residual support = 45.8:
        T HB3   PHE   72 - QB    ALA   64   4.12 +/- 1.06  41.223% * 99.3598% (0.76 10.00   3.74  45.90) =  99.856%  kept
          HB2   ASP-  44 - QB    ALA   64   4.97 +/- 1.93  38.772% *  0.1128% (0.87  1.00   0.02   0.02) =   0.107%  kept
          QG    GLU-  15 - QB    ALA   64  12.41 +/- 3.60   3.906% *  0.1230% (0.95  1.00   0.02   0.02) =   0.012%
          HG12  ILE  119 - QB    ALA   64   9.51 +/- 1.77   7.543% *  0.0443% (0.34  1.00   0.02   0.02) =   0.008%
          QG    GLU-  14 - QB    ALA   64  12.47 +/- 2.95   2.909% *  0.1086% (0.84  1.00   0.02   0.02) =   0.008%
          QB    MET   11 - QB    ALA   64  15.39 +/- 3.36   2.223% *  0.1166% (0.90  1.00   0.02   0.02) =   0.006%
          QG    GLN   90 - QB    ALA   64  15.27 +/- 1.86   1.019% *  0.0893% (0.69  1.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    ALA   64  14.35 +/- 2.33   1.319% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - QB    ALA   64  15.94 +/- 2.14   1.087% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 2 structures by 0.30 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 2.36, residual support = 6.23:
        T HA    ALA   61 - QB    ALA   64   3.56 +/- 0.64  61.803% * 96.8754% (1.00 10.00   2.38   6.30) =  98.935%  kept
          HD2   PRO   68 - QB    ALA   64   6.16 +/- 1.42  21.077% *  3.0339% (0.92  1.00   0.68   0.02) =   1.057%  kept
          HA    VAL   75 - QB    ALA   64   7.70 +/- 1.32   9.740% *  0.0242% (0.25  1.00   0.02   0.02) =   0.004%
          HD3   PRO   58 - QB    ALA   64   9.78 +/- 1.39   4.067% *  0.0473% (0.49  1.00   0.02   0.02) =   0.003%
          HA    VAL   24 - QB    ALA   64  12.02 +/- 2.45   3.313% *  0.0192% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 2.63, residual support = 5.71:
          HA    VAL   18 - QB    ALA   64   8.75 +/- 5.63  31.911% * 94.9475% (0.90   2.65   5.77) =  99.072%  kept
          HA    VAL   70 - QB    ALA   64   5.82 +/- 1.41  35.517% *  0.3284% (0.41   0.02   0.02) =   0.381%  kept
          HA    GLN  116 - QB    ALA   64  11.17 +/- 2.15  11.990% *  0.3284% (0.41   0.02   0.02) =   0.129%  kept
          HA    SER   48 - QB    ALA   64  12.79 +/- 2.87   4.589% *  0.7557% (0.95   0.02   0.02) =   0.113%  kept
          HA    GLU-  29 - QB    ALA   64  14.50 +/- 1.96   2.904% *  0.6930% (0.87   0.02   0.02) =   0.066%
          HD2   PRO   52 - QB    ALA   64  13.66 +/- 2.34   4.149% *  0.4203% (0.53   0.02   0.02) =   0.057%
          HA    GLN   32 - QB    ALA   64  14.69 +/- 1.84   2.650% *  0.5801% (0.73   0.02   0.02) =   0.050%
          HA    LYS+  33 - QB    ALA   64  14.50 +/- 1.78   2.570% *  0.5801% (0.73   0.02   0.02) =   0.049%
          HB2   SER   82 - QB    ALA   64  16.97 +/- 1.81   1.845% *  0.7557% (0.95   0.02   0.02) =   0.046%
          HA    ALA   88 - QB    ALA   64  17.04 +/- 2.10   1.875% *  0.6105% (0.76   0.02   0.02) =   0.037%
    Distance limit 3.76 A violated in 8 structures by 1.16 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.51, support = 1.09, residual support = 0.755:
        T HA    GLN   17 - QB    ALA   64  10.28 +/- 5.19  27.419% * 93.8262% (0.49 10.00   1.15   0.80) =  94.664%  kept
        T HA    VAL   42 - QB    ALA   64   6.85 +/- 1.49  37.207% *  3.2834% (0.98 10.00   0.02   0.02) =   4.495%  kept
        T HA    PHE   55 - QB    ALA   64  12.64 +/- 1.78   8.252% *  2.3009% (0.69 10.00   0.02   0.02) =   0.699%  kept
          HA    THR   46 - QB    ALA   64   9.86 +/- 1.69  13.824% *  0.1377% (0.41  1.00   0.02   0.02) =   0.070%
          HA    ALA  110 - QB    ALA   64  14.74 +/- 2.68   6.016% *  0.1257% (0.38  1.00   0.02   0.02) =   0.028%
          HA    SER   37 - QB    ALA   64  14.26 +/- 0.85   4.000% *  0.1630% (0.49  1.00   0.02   0.02) =   0.024%
          HA    GLN   90 - QB    ALA   64  15.86 +/- 2.18   3.281% *  0.1630% (0.49  1.00   0.02   0.02) =   0.020%
    Distance limit 4.11 A violated in 13 structures by 1.85 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.881, support = 0.02, residual support = 4.9:
          HN    VAL   18 - QB    ALA   64   9.30 +/- 5.19  54.820% * 68.7675% (1.00   0.02   5.77) =  84.837%  kept
          HN    SER   13 - QB    ALA   64  14.58 +/- 2.74  18.112% * 19.1625% (0.28   0.02   0.02) =   7.810%  kept
          HN    GLU-  29 - QB    ALA   64  13.60 +/- 2.07  27.068% * 12.0701% (0.18   0.02   0.02) =   7.352%  kept
    Distance limit 3.93 A violated in 15 structures by 4.02 A, eliminated.
    Peak unassigned.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.826, support = 5.88, residual support = 45.9:
        T QD    PHE   72 - QB    ALA   64   2.85 +/- 0.48  51.434% * 84.9312% (0.87 10.00   5.95  45.90) =  86.142%  kept
          HZ    PHE   72 - QB    ALA   64   3.07 +/- 0.96  46.836% * 15.0015% (0.57  1.00   5.41  45.90) =  13.855%  kept
          QE    PHE   45 - QB    ALA   64   8.98 +/- 1.50   1.730% *  0.0673% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.6:
      O   HN    ALA   64 - QB    ALA   64   2.06 +/- 0.08 100.000% *100.0000% (0.57  10.0   4.22  20.61) = 100.000%  kept
    Distance limit 3.15 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 = 158.8:
      O   HN    LYS+  65 - HA    LYS+  65   2.78 +/- 0.07  99.418% * 99.9887% (0.71  10.0   6.08 158.79) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  16.51 +/- 1.99   0.582% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.719, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  15.76 +/- 6.74  25.470% * 34.8898% (0.87   0.02   0.02) =  59.580%  kept
          HN    SER  117 - HA    LYS+  65  16.95 +/- 1.48   8.770% * 28.1870% (0.71   0.02   0.02) =  16.574%  kept
          HN    SER   82 - HA    LYS+  65  21.69 +/- 3.73   5.821% * 26.7825% (0.67   0.02   0.02) =  10.453%  kept
          HN    SER  117 - HA    LYS+ 121   9.44 +/- 0.52  45.814% *  3.1809% (0.08   0.02   0.02) =   9.771%  kept
          HN    GLY   16 - HA    LYS+ 121  21.90 +/- 6.09  12.387% *  3.9373% (0.10   0.02   0.02) =   3.270%  kept
          HN    SER   82 - HA    LYS+ 121  29.52 +/- 2.98   1.739% *  3.0224% (0.08   0.02   0.02) =   0.352%  kept
    Distance limit 3.50 A violated in 19 structures by 5.12 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.87, residual support = 29.2:
          HN    LYS+  65 - QB    ALA   64   2.94 +/- 0.18 100.000% *100.0000% (0.31   4.87  29.24) = 100.000%  kept
    Distance limit 3.38 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 = 45.9:
          QE    PHE   72 - HA    ALA   64   2.69 +/- 0.62  99.146% * 99.3286% (0.65   3.97  45.90) =  99.994%  kept
          HD22  ASN   28 - HA    ALA   64  15.26 +/- 3.04   0.854% *  0.6714% (0.87   0.02   0.02) =   0.006%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.94, residual support = 4.11:
          HA    ASP-  62 - QB    LYS+  65   2.99 +/- 0.83  95.438% * 97.9948% (0.80   1.94   4.12) =  99.978%  kept
          HB    THR   26 - QB    LYS+  65  16.36 +/- 3.35   1.159% *  0.7140% (0.57   0.02   0.02) =   0.009%
          HA    SER   82 - QB    LYS+  65  21.48 +/- 3.46   0.706% *  0.8158% (0.65   0.02   0.02) =   0.006%
          HA    SER  117 - QB    LYS+  65  14.81 +/- 1.72   1.375% *  0.2808% (0.22   0.02   0.02) =   0.004%
          HA    GLU-  25 - QB    LYS+  65  18.81 +/- 3.65   1.322% *  0.1946% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.50 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.66, residual support = 158.8:
      O   HN    LYS+  65 - QB    LYS+  65   2.15 +/- 0.13 100.000% *100.0000% (0.76  10.0   6.66 158.79) = 100.000%  kept
    Distance limit 2.90 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 = 0.532, support = 5.88, residual support = 29.4:
          HN    LYS+  66 - QB    LYS+  65   3.18 +/- 0.33  79.048% * 92.6107% (0.53   5.97  29.88) =  98.534%  kept
          QD    PHE   60 - QB    LYS+  65   7.03 +/- 1.61  16.020% *  6.7514% (0.97   0.24   0.02) =   1.456%  kept
          HN    LYS+  81 - QB    LYS+  65  19.17 +/- 3.66   0.799% *  0.5581% (0.95   0.02   0.02) =   0.006%
          QE    PHE   59 - QB    LYS+  65   9.02 +/- 1.14   4.133% *  0.0798% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.10 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.39, residual support = 158.8:
          HN    LYS+  65 - HG2   LYS+  65   3.62 +/- 0.60 100.000% *100.0000% (0.31   5.39 158.79) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.826, support = 5.12, residual support = 137.4:
      O T HA    LYS+  65 - HG3   LYS+  65   3.21 +/- 0.61  50.080% * 57.2471% (0.87  10.0 10.00   5.27 158.79) =  85.096%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.67 +/- 0.54  12.773% * 39.1477% (0.59   1.0 10.00   4.25  15.57) =  14.842%  kept
        T HD2   PRO   52 - HG3   LYS+ 106  19.77 +/- 3.90   1.301% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.009%
        T HA    GLN   32 - HG3   LYS+ 102  16.20 +/- 4.61   0.831% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.009%
        T HA    LYS+  65 - HG3   LYS+  33  17.24 +/- 3.25   0.440% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.006%
          HA    SER   48 - HG3   LYS+  65  16.55 +/- 6.08   7.221% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  65 - HG3   LYS+ 106  17.94 +/- 3.04   0.445% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+  65  21.09 +/- 2.65   0.226% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HG3   LYS+  33  14.58 +/- 4.83   1.708% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 102  23.50 +/- 2.19   0.161% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+  33  23.30 +/- 7.11   0.898% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  65  16.32 +/- 6.15   1.301% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HG3   LYS+  65  16.02 +/- 5.59   3.744% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+ 102  20.77 +/- 7.32   0.822% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  19.50 +/- 2.62   0.294% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+ 106  15.04 +/- 4.87   1.169% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG3   LYS+  65  17.64 +/- 4.19   0.729% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+  65  16.49 +/- 4.51   2.793% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  65  18.20 +/- 2.13   0.341% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+ 102  24.65 +/- 6.98   0.552% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG3   LYS+  33  24.63 +/- 6.71   0.793% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+  65  24.02 +/- 5.04   0.417% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 106   8.93 +/- 1.67   3.491% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+  65  22.67 +/- 3.84   0.284% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  19.82 +/- 3.96   0.344% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  16.98 +/- 2.09   0.432% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  15.29 +/- 2.62   0.709% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  16.08 +/- 2.80   0.568% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  23.46 +/- 5.37   0.547% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  22.28 +/- 4.87   0.249% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.23 +/- 4.33   0.200% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.73 +/- 3.39   0.764% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  21.07 +/- 3.23   0.249% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  16.65 +/- 3.33   0.622% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  23.54 +/- 5.48   0.298% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  18.53 +/- 3.24   0.852% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  25.20 +/- 3.87   0.143% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.38 +/- 3.17   0.085% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.54 +/- 1.05   0.314% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  28.20 +/- 3.13   0.129% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  25.84 +/- 3.32   0.206% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.34 +/- 3.96   0.117% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.29 +/- 2.04   0.210% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.36 +/- 3.75   0.147% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.345, support = 2.77, residual support = 21.3:
          HN    ASP- 105 - HG3   LYS+ 106   4.42 +/- 0.42  74.870% * 76.3871% (0.34   2.85  21.95) =  96.862%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.68 +/- 1.16   9.989% * 17.6745% (0.65   0.34   0.02) =   2.990%  kept
          HN    ASP- 105 - HG3   LYS+  33  17.07 +/- 2.60   1.960% *  1.1028% (0.69   0.02   0.02) =   0.037%
          HN    ASP- 105 - HG3   LYS+  65  17.64 +/- 2.49   1.389% *  1.2771% (0.80   0.02   0.02) =   0.030%
          HN    ALA   88 - HG3   LYS+ 106  14.17 +/- 2.96   3.479% *  0.3790% (0.24   0.02   0.02) =   0.022%
          HN    ALA   88 - HG3   LYS+  65  23.00 +/- 4.82   1.141% *  0.9029% (0.57   0.02   0.02) =   0.017%
          HN    ALA   88 - HG3   LYS+ 102  19.58 +/- 3.74   1.155% *  0.7348% (0.46   0.02   0.02) =   0.014%
          HN    PHE   55 - HG3   LYS+  65  15.53 +/- 2.71   2.936% *  0.2461% (0.15   0.02   0.02) =   0.012%
          HN    ALA   88 - HG3   LYS+  33  23.54 +/- 4.22   0.690% *  0.7797% (0.49   0.02   0.02) =   0.009%
          HN    PHE   55 - HG3   LYS+ 106  19.16 +/- 2.49   1.611% *  0.1033% (0.06   0.02   0.02) =   0.003%
          HN    PHE   55 - HG3   LYS+  33  27.27 +/- 2.97   0.383% *  0.2125% (0.13   0.02   0.02) =   0.001%
          HN    PHE   55 - HG3   LYS+ 102  28.62 +/- 3.24   0.397% *  0.2003% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.16, residual support = 119.6:
      O   HN    LYS+  66 - HA    LYS+  66   2.89 +/- 0.04  94.482% * 99.6126% (0.53  10.0   5.16 119.58) =  99.993%  kept
          QD    PHE   60 - HA    LYS+  66  10.08 +/- 1.28   2.993% *  0.1827% (0.97   1.0   0.02   0.02) =   0.006%
          QE    PHE   59 - HA    LYS+  66  11.71 +/- 2.30   2.233% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    LYS+  66  22.59 +/- 3.99   0.292% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 5.34, residual support = 119.6:
      O   HN    LYS+  66 - QB    LYS+  66   2.35 +/- 0.14  94.232% * 99.6126% (0.53  10.0   5.34 119.58) =  99.994%  kept
          QD    PHE   60 - QB    LYS+  66   8.31 +/- 0.57   2.246% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - QB    LYS+  66   9.33 +/- 2.54   3.352% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - QB    LYS+  66  20.54 +/- 2.89   0.170% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.52, support = 4.73, residual support = 118.3:
          HN    LYS+  66 - QG    LYS+  66   2.80 +/- 0.53  71.790% * 92.8954% (0.53   4.75 119.58) =  98.810%  kept
          HN    LYS+  66 - HG    LEU   67   5.58 +/- 1.07  14.076% *  5.4650% (0.04   3.63  15.23) =   1.140%  kept
          QD    PHE   60 - QG    LYS+  66   8.29 +/- 0.72   3.491% *  0.7180% (0.97   0.02   0.02) =   0.037%
          QE    PHE   59 - QG    LYS+  66   9.52 +/- 2.64   4.668% *  0.1007% (0.14   0.02   0.02) =   0.007%
          HN    LYS+  81 - QG    LYS+  66  20.37 +/- 3.11   0.330% *  0.7038% (0.95   0.02   0.02) =   0.003%
          QD    PHE   60 - HG    LEU   67  10.03 +/- 1.61   2.883% *  0.0553% (0.07   0.02   0.02) =   0.002%
          HN    LYS+  81 - HG    LEU   67  20.47 +/- 3.30   0.399% *  0.0542% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  12.17 +/- 3.24   2.365% *  0.0078% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.96, residual support = 119.4:
          HN    LYS+  66 - QD    LYS+  66   4.31 +/- 0.40  55.716% * 98.2217% (0.53   4.97 119.58) =  99.885%  kept
          QD    PHE   60 - QD    LYS+  66   9.71 +/- 0.66   5.373% *  0.7253% (0.97   0.02   0.02) =   0.071%
          QE    PHE   59 - QD    LYS+  66  10.51 +/- 3.04  13.401% *  0.1017% (0.14   0.02   0.02) =   0.025%
          HN    LYS+  81 - QD    LYS+  66  21.35 +/- 3.55   0.656% *  0.7109% (0.95   0.02   0.02) =   0.009%
          QE    PHE   59 - HD2   LYS+ 121   6.94 +/- 1.52  20.808% *  0.0126% (0.02   0.02   0.02) =   0.005%
          QD    PHE   60 - HD2   LYS+ 121  13.25 +/- 1.49   2.211% *  0.0902% (0.12   0.02   0.02) =   0.004%
          HN    LYS+  66 - HD2   LYS+ 121  15.60 +/- 3.40   1.582% *  0.0492% (0.07   0.02   0.02) =   0.001%
          HN    LYS+  81 - HD2   LYS+ 121  27.36 +/- 2.50   0.253% *  0.0884% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.485, support = 3.66, residual support = 60.0:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  69.882% * 41.1920% (0.47  10.0 10.00   3.18  60.39) =  73.695%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.69 +/- 0.28  21.434% * 46.2379% (0.53  10.0  1.00   5.02  60.39) =  25.373%  kept
          QG    LYS+  66 - HB2   LEU   67   5.83 +/- 1.20   3.177% * 11.1042% (0.61   1.0  1.00   4.18  15.23) =   0.903%  kept
        T HG    LEU   40 - HB2   LEU   67   7.93 +/- 2.43   1.834% *  0.5319% (0.61   1.0 10.00   0.02   0.02) =   0.025%
        T HB3   LEU  115 - HB2   LEU   67  15.40 +/- 2.19   0.123% *  0.5319% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - HB2   LEU   67  13.37 +/- 5.44   2.051% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   LEU   67  10.69 +/- 1.95   0.418% *  0.0615% (0.70   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - HB2   LEU   67  15.83 +/- 2.20   0.113% *  0.1770% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB2   LEU   67   9.33 +/- 0.83   0.510% *  0.0310% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  19.70 +/- 2.60   0.060% *  0.0635% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  16.03 +/- 3.80   0.208% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  17.52 +/- 3.18   0.118% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  18.36 +/- 2.35   0.070% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 3.24, residual support = 60.2:
      O T QD1   LEU   67 - HB2   LEU   67   2.52 +/- 0.35  67.885% * 97.8055% (0.70  10.0 10.00   3.25  60.39) =  99.634%  kept
        T QD2   LEU   40 - HB2   LEU   67   7.81 +/- 2.36  15.379% *  0.9934% (0.71   1.0 10.00   0.02   0.02) =   0.229%  kept
          QD2   LEU   71 - HB2   LEU   67   7.49 +/- 1.96   9.085% *  0.9369% (0.22   1.0  1.00   0.60   0.02) =   0.128%  kept
          HG3   LYS+  74 - HB2   LEU   67  10.47 +/- 4.34   4.511% *  0.0812% (0.58   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   75 - HB2   LEU   67  10.35 +/- 1.78   1.942% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB2   LEU   67  13.78 +/- 2.41   0.638% *  0.0909% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  14.32 +/- 2.27   0.560% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 60.3:
          HA    LEU   67 - QD2   LEU   67   2.91 +/- 0.73  93.164% * 98.8214% (0.53   2.76  60.39) =  99.913%  kept
          HA    ASP-  76 - QD2   LEU   67  12.09 +/- 3.02   6.836% *  1.1786% (0.87   0.02   0.02) =   0.087%
    Distance limit 2.99 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 2.99, residual support = 60.2:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  64.683% * 96.8242% (0.73  10.0  1.00   3.00  60.39) =  99.757%  kept
        T HB2   LYS+  74 - QD1   LEU   67   7.19 +/- 3.49  20.438% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.134%  kept
        T HG    LEU   40 - QD1   LEU   67   6.50 +/- 1.99   6.762% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.087%
        T HG    LEU  115 - QD1   LEU   67  12.65 +/- 2.03   0.396% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU   73 - QD1   LEU   67   8.12 +/- 1.63   1.591% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LEU   40 - QD1   LEU   67   7.66 +/- 2.24   2.859% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA  120 - QD1   LEU   67  13.18 +/- 3.19   0.520% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  10.31 +/- 2.92   2.081% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD1   LEU   67  12.25 +/- 2.17   0.464% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD1   LEU   67  15.78 +/- 2.43   0.205% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.333, support = 3.2, residual support = 58.9:
      O T HB2   LEU   67 - QD1   LEU   67   2.52 +/- 0.35  73.902% * 76.0110% (0.31  10.0 10.00   3.25  60.39) =  96.040%  kept
          HG2   PRO   68 - QD1   LEU   67   6.29 +/- 1.07   9.990% * 22.9280% (0.92   1.0  1.00   2.02  21.73) =   3.916%  kept
          HB    ILE   19 - QD1   LEU   67  10.62 +/- 4.27   5.771% *  0.2136% (0.87   1.0  1.00   0.02   0.02) =   0.021%
          QB    GLU- 114 - QD1   LEU   67  14.09 +/- 2.85   3.434% *  0.1972% (0.80   1.0  1.00   0.02   0.02) =   0.012%
          HB2   GLN   17 - QD1   LEU   67  11.44 +/- 4.19   2.674% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU  115 - QD1   LEU   67  12.98 +/- 2.15   0.890% *  0.1692% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   58 - QD1   LEU   67  14.23 +/- 2.10   0.588% *  0.1788% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QD1   LEU   67  12.52 +/- 3.41   1.214% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   LEU   67  17.43 +/- 3.10   1.037% *  0.0548% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   LEU   67  15.76 +/- 3.04   0.500% *  0.1104% (0.45   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 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 3.15, residual support = 60.3:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  73.349% * 98.2374% (0.87  10.0  1.00   3.15  60.39) =  99.721%  kept
          QD2   LEU   67 - QG    LYS+  66   5.12 +/- 1.35  13.732% *  1.0516% (0.07   1.0  1.00   2.78  15.23) =   0.200%  kept
        T QD1   LEU   40 - HG    LEU   67   6.76 +/- 2.06   8.301% *  0.6869% (0.61   1.0 10.00   0.02   0.02) =   0.079%
          QG2   ILE  119 - HG    LEU   67  13.17 +/- 4.03   1.030% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.71 +/- 1.76   1.774% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   9.82 +/- 3.15   1.815% *  0.0013% (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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  11.57 +/- 2.17  25.877% * 52.9912% (0.98   0.02   0.02) =  46.909%  kept
          QG1   VAL   83 - QD1   LEU   67  11.06 +/- 2.40  28.766% * 34.9728% (0.65   0.02   0.02) =  34.416%  kept
          QD1   LEU  104 - QD1   LEU   67   8.84 +/- 2.65  45.357% * 12.0360% (0.22   0.02   0.02) =  18.676%  kept
    Distance limit 3.19 A violated in 18 structures by 4.25 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.84, support = 3.11, residual support = 26.4:
        T HZ    PHE   72 - QD1   LEU   67   3.35 +/- 0.85  55.644% * 72.0821% (0.97 10.00   3.49  26.43) =  77.387%  kept
        T QD    PHE   72 - QD1   LEU   67   3.83 +/- 0.81  42.008% * 27.8993% (0.41 10.00   1.82  26.43) =  22.612%  kept
          QE    PHE   45 - QD1   LEU   67   9.93 +/- 1.60   2.348% *  0.0186% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.08, residual support = 26.4:
          QE    PHE   72 - QD1   LEU   67   2.62 +/- 0.65  89.712% * 99.2683% (0.80   4.09  26.43) =  99.972%  kept
          QD    PHE   95 - QD1   LEU   67   8.84 +/- 2.07   8.685% *  0.1873% (0.31   0.02   0.02) =   0.018%
          HN    ALA   47 - QD1   LEU   67  13.20 +/- 2.90   1.602% *  0.5443% (0.90   0.02   0.02) =   0.010%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.625, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  17.60 +/- 2.83   5.382% * 57.9196% (0.73 10.00   0.02   0.02) =  51.010%  kept
        T HA    LEU  115 - HG    LEU   67  16.26 +/- 2.75   7.784% * 15.7849% (0.20 10.00   0.02   0.02) =  20.104%  kept
          HA    GLU-  36 - HG    LEU   67  17.78 +/- 3.39   8.277% *  7.5452% (0.95  1.00   0.02   0.02) =  10.219%  kept
          HA    ALA  124 - HG    LEU   67  21.51 +/- 6.20   7.071% *  6.6623% (0.84  1.00   0.02   0.02) =   7.709%  kept
          HA    LYS+  81 - HG    LEU   67  20.81 +/- 3.00   3.499% *  7.9057% (0.99  1.00   0.02   0.02) =   4.526%  kept
          HA    ASN   28 - HG    LEU   67  15.50 +/- 3.13  10.841% *  1.7758% (0.22  1.00   0.02   0.02) =   3.150%  kept
          HA    ARG+  54 - QG    LYS+  66  13.06 +/- 3.18  15.765% *  0.4459% (0.06  1.00   0.02   0.02) =   1.150%  kept
          HA    ALA  124 - QG    LYS+  66  17.55 +/- 4.61   8.934% *  0.5129% (0.06  1.00   0.02   0.02) =   0.750%  kept
          HA    GLU-  36 - QG    LYS+  66  20.05 +/- 3.01   5.609% *  0.5808% (0.07  1.00   0.02   0.02) =   0.533%  kept
          HA    LYS+  81 - QG    LYS+  66  20.51 +/- 3.26   3.696% *  0.6086% (0.08  1.00   0.02   0.02) =   0.368%  kept
          HA    LEU  115 - QG    LYS+  66  13.39 +/- 2.92  14.982% *  0.1215% (0.02  1.00   0.02   0.02) =   0.298%  kept
          HA    ASN   28 - QG    LYS+  66  17.40 +/- 3.34   8.161% *  0.1367% (0.02  1.00   0.02   0.02) =   0.183%  kept
    Distance limit 4.01 A violated in 19 structures by 5.08 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.153, support = 3.74, residual support = 60.1:
      O   HA    LEU   67 - HG    LEU   67   3.22 +/- 0.63  66.406% * 98.0419% (0.15  10.0   3.74  60.39) =  99.424%  kept
          HA    LEU   67 - QG    LYS+  66   5.13 +/- 1.20  27.023% *  1.2977% (0.01   1.0   3.44  15.23) =   0.536%  kept
          HA    ASP-  76 - HG    LEU   67  13.79 +/- 3.49   4.138% *  0.6132% (0.97   1.0   0.02   0.02) =   0.039%
          HA    ASP-  76 - QG    LYS+  66  13.77 +/- 3.22   2.433% *  0.0472% (0.07   1.0   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.569, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  12.27 +/- 2.37   9.355% * 26.7757% (0.87   0.02   0.02) =  37.423%  kept
          QE    PHE   95 - HG    LEU   67  12.28 +/- 3.20  10.812% * 11.5851% (0.38   0.02   0.02) =  18.714%  kept
          QD    PHE   55 - HG    LEU   67  17.02 +/- 2.46   3.758% * 24.7171% (0.80   0.02   0.02) =  13.879%  kept
          QD    PHE   60 - HG    LEU   67  10.03 +/- 1.61  14.423% *  5.4059% (0.18   0.02   0.02) =  11.648%  kept
          HN    THR   23 - HG    LEU   67  16.21 +/- 3.57   4.146% * 10.5293% (0.34   0.02   0.02) =   6.521%  kept
          HN    LYS+  81 - HG    LEU   67  20.47 +/- 3.30   1.835% * 13.8391% (0.45   0.02   0.02) =   3.794%  kept
          QD    PHE   55 - QG    LYS+  66  13.14 +/- 2.37   8.005% *  1.9027% (0.06   0.02   0.02) =   2.276%  kept
          QE    PHE   95 - QG    LYS+  66  10.51 +/- 3.00  15.876% *  0.8918% (0.03   0.02   0.02) =   2.115%  kept
          HE3   TRP   27 - QG    LYS+  66  14.26 +/- 2.36   5.224% *  2.0612% (0.07   0.02   0.02) =   1.609%  kept
          QD    PHE   60 - QG    LYS+  66   8.29 +/- 0.72  21.469% *  0.4162% (0.01   0.02   0.02) =   1.335%  kept
          HN    THR   23 - QG    LYS+  66  16.85 +/- 3.14   3.286% *  0.8106% (0.03   0.02   0.02) =   0.398%  kept
          HN    LYS+  81 - QG    LYS+  66  20.37 +/- 3.11   1.810% *  1.0653% (0.03   0.02   0.02) =   0.288%  kept
    Distance limit 3.80 A violated in 19 structures by 2.99 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.303, support = 3.15, residual support = 59.6:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  91.957% * 65.9669% (0.29  10.0 10.00   3.18  60.39) =  98.113%  kept
          HG2   PRO   68 - HB3   LEU   67   6.00 +/- 1.07   3.756% * 23.4546% (0.87   1.0  1.00   2.38  21.73) =   1.425%  kept
        T HB    ILE   19 - HB3   LEU   67  13.29 +/- 4.59   2.892% *  9.8432% (0.82   1.0 10.00   0.11   0.02) =   0.460%  kept
          QB    GLU- 114 - HB3   LEU   67  17.72 +/- 3.10   0.185% *  0.1711% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HB3   LEU   67  13.51 +/- 4.82   0.497% *  0.0594% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.32 +/- 2.75   0.145% *  0.1468% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  17.00 +/- 2.51   0.123% *  0.1552% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67  14.58 +/- 4.11   0.282% *  0.0594% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  19.90 +/- 3.18   0.087% *  0.0958% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  21.71 +/- 3.77   0.076% *  0.0476% (0.21   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 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  13.67 +/- 3.28 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.70 A violated in 20 structures by 9.97 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.81, residual support = 60.4:
      O   HN    LEU   67 - HB3   LEU   67   3.20 +/- 0.62  91.478% * 99.4441% (0.54  10.0   4.81  60.39) =  99.991%  kept
          HD2   HIS   22 - HB3   LEU   67  16.66 +/- 4.50   1.590% *  0.1722% (0.93   1.0   0.02   0.02) =   0.003%
          HD21  ASN   35 - HB3   LEU   67  18.40 +/- 3.96   1.588% *  0.1524% (0.82   1.0   0.02   0.02) =   0.003%
          HD1   TRP   49 - HB3   LEU   67  20.67 +/- 4.74   0.884% *  0.1575% (0.85   1.0   0.02   0.02) =   0.002%
          QE    PHE   95 - HB3   LEU   67  12.16 +/- 3.39   3.135% *  0.0348% (0.19   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  16.38 +/- 3.27   1.325% *  0.0391% (0.21   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.07, residual support = 60.4:
      O   HA    LEU   67 - HB2   LEU   67   2.66 +/- 0.24  98.102% * 99.8354% (0.38  10.0   5.07  60.39) =  99.997%  kept
          HA    ASP-  76 - HB2   LEU   67  13.81 +/- 3.48   1.898% *  0.1646% (0.63   1.0   0.02   0.02) =   0.003%
    Distance limit 3.82 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 = 3.23, residual support = 26.4:
          QE    PHE   72 - HB2   LEU   67   3.48 +/- 1.08  93.916% * 99.0765% (0.58   3.23  26.43) =  99.973%  kept
          HN    ALA   47 - HB2   LEU   67  16.76 +/- 3.53   2.438% *  0.6871% (0.65   0.02   0.02) =   0.018%
          QD    PHE   95 - HB2   LEU   67  11.39 +/- 2.55   3.646% *  0.2365% (0.22   0.02   0.02) =   0.009%
    Distance limit 3.76 A violated in 3 structures by 0.30 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.11, residual support = 60.4:
      O   HN    LEU   67 - HB2   LEU   67   3.22 +/- 0.56  86.178% * 99.6033% (0.70  10.0   5.11  60.39) =  99.991%  kept
          QE    PHE   95 - HB2   LEU   67  12.17 +/- 3.07   5.892% *  0.0626% (0.44   1.0   0.02   0.02) =   0.004%
          HD2   HIS   22 - HB2   LEU   67  16.79 +/- 4.43   1.685% *  0.0862% (0.61   1.0   0.02   0.02) =   0.002%
          HN    THR   23 - HB2   LEU   67  16.38 +/- 3.46   1.248% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  20.86 +/- 4.26   0.826% *  0.0976% (0.69   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   LEU   67  12.25 +/- 2.14   2.403% *  0.0181% (0.13   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   LEU   67  18.10 +/- 3.37   0.796% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  16.96 +/- 2.22   0.972% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.0, residual support = 26.4:
        T HZ    PHE   72 - HB2   LEU   67   4.77 +/- 1.27  88.153% * 99.9822% (0.63 10.00   3.00  26.43) =  99.998%  kept
          HZ2   TRP   27 - HB2   LEU   67  13.55 +/- 3.24  11.847% *  0.0178% (0.11  1.00   0.02   0.02) =   0.002%
    Distance limit 4.04 A violated in 6 structures by 1.01 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.543, support = 4.05, residual support = 61.3:
      O T HA    VAL   24 - HB    VAL   24   2.56 +/- 0.30  73.805% * 82.3820% (0.57  10.0 10.00   3.97  62.85) =  94.369%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.95 +/- 0.11  22.029% * 16.3856% (0.11  10.0  1.00   5.47  36.35) =   5.602%  kept
        T HA    VAL   24 - HB2   PRO   68  19.39 +/- 5.20   1.724% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.027%
          HA    LYS+  38 - HB2   PRO   68  14.69 +/- 3.52   0.645% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  18.92 +/- 2.47   0.231% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  19.03 +/- 5.30   1.565% *  0.0133% (0.09   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 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.24, residual support = 62.8:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  81.473% * 98.0584% (0.63  10.0 10.00   3.24  62.85) =  99.976%  kept
        T QG1   VAL   24 - HB2   PRO   68  18.07 +/- 5.03   1.135% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.017%
          QB    ALA   20 - HB    VAL   24   8.31 +/- 2.42  14.357% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  119 - HB2   PRO   68  16.06 +/- 4.00   0.566% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.65 +/- 1.09   0.556% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   PRO   68  16.59 +/- 4.45   0.445% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.27 +/- 6.88   0.367% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.52 +/- 2.45   0.286% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.04 +/- 3.62   0.141% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.05 +/- 3.07   0.189% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  23.49 +/- 4.68   0.103% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.78 +/- 3.08   0.383% *  0.0258% (0.17   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.35, support = 5.68, residual support = 30.6:
      O   HN    ASN   69 - HB2   PRO   68   3.65 +/- 0.72  40.969% * 67.4457% (0.34  10.0   5.84  30.77) =  75.717%  kept
          HN    GLU-  25 - HB    VAL   24   3.66 +/- 0.57  41.060% * 17.5809% (0.31   1.0   5.87  33.47) =  19.781%  kept
          HN    ASN   28 - HB    VAL   24   5.67 +/- 0.47  11.259% * 14.5417% (0.66   1.0   2.25  15.74) =   4.486%  kept
          HN    ASN   28 - HB2   PRO   68  18.84 +/- 5.15   1.431% *  0.1583% (0.81   1.0   0.02   0.02) =   0.006%
          HN    ASP-  44 - HB    VAL   24  13.96 +/- 2.88   2.865% *  0.0651% (0.33   1.0   0.02   0.02) =   0.005%
          HN    GLU-  25 - HB2   PRO   68  21.43 +/- 5.54   0.922% *  0.0736% (0.37   1.0   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB2   PRO   68  14.40 +/- 1.98   0.810% *  0.0799% (0.41   1.0   0.02   0.02) =   0.002%
          HN    ASN   69 - HB    VAL   24  19.40 +/- 4.71   0.683% *  0.0549% (0.28   1.0   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.37, residual support = 62.8:
      O   HN    VAL   24 - HB    VAL   24   2.54 +/- 0.25  99.083% * 99.8774% (0.33  10.0   4.37  62.85) =  99.999%  kept
          HN    VAL   24 - HB2   PRO   68  20.92 +/- 5.17   0.917% *  0.1226% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.18, residual support = 36.4:
      O   HD3   PRO   68 - HG2   PRO   68   2.51 +/- 0.29  95.558% * 99.5120% (0.57  10.0   3.18  36.35) =  99.995%  kept
          HB3   CYS   53 - HG2   PRO   68  18.43 +/- 5.28   1.463% *  0.1168% (0.67   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HG2   PRO   68  20.38 +/- 5.51   0.825% *  0.1189% (0.69   1.0   0.02   0.02) =   0.001%
          QB    PHE   55 - HG2   PRO   68  17.57 +/- 4.08   0.710% *  0.0910% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   68  14.51 +/- 3.08   0.982% *  0.0580% (0.33   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   PRO   68  21.00 +/- 4.73   0.461% *  0.1033% (0.60   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 36.4:
      O   HD2   PRO   68 - HG2   PRO   68   2.67 +/- 0.28  92.812% * 99.8205% (0.63  10.0   2.91  36.35) =  99.995%  kept
          HA    VAL   24 - HG2   PRO   68  18.93 +/- 5.29   3.818% *  0.0656% (0.42   1.0   0.02   0.02) =   0.003%
          HA    ALA   61 - HG2   PRO   68  11.36 +/- 2.69   1.991% *  0.0826% (0.52   1.0   0.02   0.02) =   0.002%
          HA    LYS+  38 - HG2   PRO   68  14.91 +/- 3.13   0.866% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  16.42 +/- 2.80   0.514% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.693, support = 4.9, residual support = 67.0:
      O   HD3   PRO   68 - HG3   PRO   68   2.69 +/- 0.29  40.416% * 69.4076% (0.84  10.0  1.00   4.92  36.35) =  75.193%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.71 +/- 0.24  39.320% * 22.1245% (0.27  10.0 10.00   4.93 169.22) =  23.318%  kept
          QB    PHE   55 - HG2   ARG+  54   5.73 +/- 1.44  11.967% *  3.0010% (0.20   1.0  1.00   3.54   3.84) =   0.963%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.01 +/- 0.80   4.447% *  4.3318% (0.26   1.0  1.00   3.99  31.55) =   0.516%  kept
        T HD2   ARG+  54 - HG3   PRO   68  20.58 +/- 5.69   0.291% *  0.8291% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          HB3   CYS   53 - HG3   PRO   68  18.64 +/- 5.47   0.496% *  0.0815% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  11.10 +/- 1.82   1.518% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  17.85 +/- 3.98   0.223% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.00 +/- 2.88   0.319% *  0.0404% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.14 +/- 4.91   0.172% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54  13.57 +/- 3.63   0.585% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  18.48 +/- 4.17   0.246% *  0.0185% (0.22   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 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.61, residual support = 36.4:
      O   HD2   PRO   68 - HG3   PRO   68   2.50 +/- 0.28  87.872% * 99.5569% (0.92  10.0  1.00   4.61  36.35) =  99.994%  kept
          HA    VAL   24 - HG3   PRO   68  18.70 +/- 5.35   2.697% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   61 - HG3   PRO   68  11.65 +/- 2.47   1.811% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HG3   PRO   68  14.49 +/- 3.40   0.661% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HG2   ARG+  54  11.70 +/- 2.31   1.351% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.44 +/- 1.73   4.210% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  18.68 +/- 3.89   0.605% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  16.93 +/- 2.55   0.431% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.87 +/- 5.41   0.290% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  28.68 +/- 3.37   0.071% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.29, residual support = 36.4:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  86.153% * 98.5022% (0.98  10.0 10.00   5.29  36.35) =  99.996%  kept
        T HD3   PRO   93 - HD2   PRO   68  19.90 +/- 4.32   0.117% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   PRO   58   4.52 +/- 1.03   7.163% *  0.0070% (0.07   1.0  1.00   0.02  39.50) =   0.001%
        T HD3   PRO   93 - HD3   PRO   58  14.18 +/- 3.61   0.363% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.77 +/- 2.37   0.242% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  17.57 +/- 4.46   0.255% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   6.32 +/- 0.79   2.241% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.39 +/- 1.78   2.121% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  17.08 +/- 2.86   0.131% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  19.86 +/- 4.29   0.137% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  15.75 +/- 1.95   0.139% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.25 +/- 1.77   0.938% *  0.0058% (0.06   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 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.29, residual support = 36.4:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  95.930% * 99.4504% (0.92  10.0 10.00   5.29  36.35) =  99.998%  kept
          HA    ALA   61 - HD3   PRO   68  10.15 +/- 1.99   0.721% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HD3   PRO   68  17.91 +/- 4.57   0.463% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.73 +/- 3.56   1.808% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  19.90 +/- 4.32   0.130% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  15.75 +/- 1.95   0.154% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  14.18 +/- 3.61   0.404% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  14.75 +/- 2.66   0.221% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.97 +/- 2.99   0.137% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  26.81 +/- 2.33   0.033% *  0.0031% (0.03   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 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.52, residual support = 21.7:
      O   HA    LEU   67 - HD3   PRO   68   2.56 +/- 0.50  96.386% * 99.7870% (0.53  10.0   5.52  21.73) =  99.997%  kept
          HA    ASP-  76 - HD3   PRO   68  15.90 +/- 3.52   1.088% *  0.1645% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ASP-  76 - HD3   PRO   93  11.63 +/- 2.04   2.011% *  0.0302% (0.16   1.0   0.02   0.02) =   0.001%
          HA    LEU   67 - HD3   PRO   93  19.13 +/- 3.63   0.515% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 21.7:
      O   HA    LEU   67 - HD2   PRO   68   2.61 +/- 0.41  98.110% * 99.8155% (0.53  10.0   4.53  21.73) =  99.999%  kept
          HA    ASP-  76 - HD2   PRO   68  16.01 +/- 3.19   0.659% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  16.73 +/- 3.15   0.610% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.31 +/- 1.45   0.621% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.61, residual support = 59.0:
      O   HD21  ASN   69 - HB2   ASN   69   3.07 +/- 0.58  93.761% * 99.5864% (0.65  10.0   3.61  59.02) =  99.993%  kept
          HN    GLN   17 - HB2   ASN   69  14.47 +/- 5.52   3.872% *  0.1286% (0.84   1.0   0.02   0.02) =   0.005%
          HN    ALA   61 - HB2   ASN   69  14.67 +/- 2.58   1.411% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB2   ASN   69  21.22 +/- 3.59   0.426% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  23.60 +/- 2.79   0.300% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  25.40 +/- 3.24   0.230% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 5.35, residual support = 59.0:
      O   HN    ASN   69 - HB2   ASN   69   3.37 +/- 0.55  93.721% * 99.9414% (0.97  10.0   5.35  59.02) =  99.998%  kept
          HN    ASN   28 - HB2   ASN   69  18.01 +/- 4.46   4.720% *  0.0426% (0.41   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HB2   ASN   69  15.65 +/- 2.98   1.559% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.58, residual support = 59.0:
      O   HD21  ASN   69 - HB3   ASN   69   2.91 +/- 0.63  96.908% * 99.7810% (0.99  10.0   3.58  59.02) =  99.997%  kept
          HN    GLN   17 - HB3   ASN   69  14.53 +/- 5.34   2.374% *  0.0987% (0.98   1.0   0.02   0.02) =   0.002%
          HN    TRP   87 - HB3   ASN   69  23.30 +/- 2.67   0.288% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  20.94 +/- 3.42   0.429% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 59.0:
      O   HN    ASN   69 - HB3   ASN   69   3.33 +/- 0.49  93.751% * 99.9414% (0.97  10.0   4.85  59.02) =  99.998%  kept
          HN    ASN   28 - HB3   ASN   69  17.59 +/- 4.55   4.752% *  0.0426% (0.41   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HB3   ASN   69  15.67 +/- 3.18   1.497% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 3.04, residual support = 58.8:
          HD21  ASN   69 - HA    ASN   69   3.32 +/- 0.67  83.492% * 89.7218% (0.20   3.05  59.02) =  99.616%  kept
          HN    ALA   61 - HA    ASN   69  13.84 +/- 2.56   7.764% *  2.3807% (0.80   0.02   0.02) =   0.246%  kept
          HN    GLN   17 - HA    ASN   69  13.92 +/- 6.25   5.910% *  1.0141% (0.34   0.02   0.02) =   0.080%
          HE3   TRP   87 - HA    ASN   69  20.40 +/- 3.27   0.582% *  2.9468% (0.99   0.02   0.02) =   0.023%
          HN    TRP   27 - HA    ASN   69  17.10 +/- 3.27   1.492% *  1.1158% (0.38   0.02   0.02) =   0.022%
          HN    ALA   91 - HA    ASN   69  24.34 +/- 2.84   0.354% *  2.1589% (0.73   0.02   0.02) =   0.010%
          HN    TRP   87 - HA    ASN   69  22.59 +/- 2.59   0.405% *  0.6619% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  12.72 +/- 3.19 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.63 A violated in 19 structures by 9.08 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.367, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HB2   SER   82  10.08 +/- 0.59   7.253% * 37.0886% (0.42 10.00   0.02   0.02) =  40.936%  kept
        T QB    ALA   88 - HA    SER   48  13.51 +/- 4.40  10.811% * 17.4364% (0.20 10.00   0.02   0.02) =  28.686%  kept
          QG2   THR   77 - HB2   SER   82   9.51 +/- 1.26   9.051% *  4.2379% (0.48  1.00   0.02   0.02) =   5.837%  kept
          HG2   LYS+  38 - HA    VAL   70  11.64 +/- 2.65   7.157% *  4.6421% (0.53  1.00   0.02   0.02) =   5.056%  kept
          QG2   THR   77 - HA    SER   48   8.52 +/- 1.65  14.847% *  1.9923% (0.23  1.00   0.02   0.02) =   4.502%  kept
          HG2   LYS+  99 - HA    VAL   70  10.64 +/- 1.86   7.482% *  3.6274% (0.41  1.00   0.02   0.02) =   4.130%  kept
          QG2   THR   77 - HA    VAL   70  14.58 +/- 1.57   2.889% *  8.7452% (0.99  1.00   0.02   0.02) =   3.844%  kept
          HB2   LEU   31 - HA    VAL   70  12.46 +/- 3.24   7.977% *  1.3614% (0.15  1.00   0.02   0.02) =   1.653%  kept
          QB    ALA   88 - HA    VAL   70  19.39 +/- 1.79   1.075% *  7.6536% (0.87  1.00   0.02   0.02) =   1.252%  kept
          QG2   THR   23 - HB2   SER   82  15.93 +/- 8.27   8.330% *  0.9519% (0.11  1.00   0.02   0.02) =   1.207%  kept
          QG2   THR   23 - HA    VAL   70  15.30 +/- 2.30   2.486% *  1.9644% (0.22  1.00   0.02   0.02) =   0.743%  kept
          HB2   LEU   31 - HB2   SER   82  18.12 +/- 8.65   5.304% *  0.6597% (0.07  1.00   0.02   0.02) =   0.533%  kept
          QG2   THR   23 - HA    SER   48  17.72 +/- 4.86   5.697% *  0.4475% (0.05  1.00   0.02   0.02) =   0.388%  kept
          HG2   LYS+ 111 - HA    SER   48  16.93 +/- 4.45   5.341% *  0.3978% (0.05  1.00   0.02   0.02) =   0.323%  kept
          HG2   LYS+  99 - HB2   SER   82  23.10 +/- 4.64   1.033% *  1.7578% (0.20  1.00   0.02   0.02) =   0.276%  kept
          HG2   LYS+  38 - HB2   SER   82  25.20 +/- 4.76   0.669% *  2.2495% (0.25  1.00   0.02   0.02) =   0.229%  kept
          HG2   LYS+ 111 - HA    VAL   70  23.13 +/- 3.28   0.791% *  1.7461% (0.20  1.00   0.02   0.02) =   0.210%  kept
          HG2   LYS+ 111 - HB2   SER   82  25.34 +/- 3.62   0.515% *  0.8462% (0.10  1.00   0.02   0.02) =   0.066%
          HG2   LYS+  99 - HA    SER   48  26.48 +/- 2.78   0.438% *  0.8264% (0.09  1.00   0.02   0.02) =   0.055%
          HG2   LYS+  38 - HA    SER   48  29.91 +/- 2.69   0.293% *  1.0576% (0.12  1.00   0.02   0.02) =   0.047%
          HB2   LEU   31 - HA    SER   48  24.32 +/- 3.62   0.561% *  0.3102% (0.04  1.00   0.02   0.02) =   0.026%
    Distance limit 3.54 A violated in 19 structures by 2.53 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.97, residual support = 34.8:
      O   HN    LEU   71 - HA    VAL   70   2.23 +/- 0.05  96.531% * 99.7573% (0.87  10.0   5.97  34.78) =  99.999%  kept
          HN    THR   26 - HB2   SER   82  18.35 +/-10.16   0.880% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  20.37 +/- 2.97   0.172% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  16.67 +/- 2.50   0.300% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  21.49 +/- 3.06   0.141% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  17.52 +/- 2.97   0.518% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  20.63 +/- 3.44   0.266% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  18.00 +/- 3.38   0.294% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  25.67 +/- 2.96   0.100% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  22.46 +/- 5.72   0.340% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  17.31 +/- 2.58   0.374% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  25.97 +/- 2.79   0.085% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.907, support = 3.38, residual support = 51.0:
        T HZ    PHE   72 - HB    VAL   70   4.59 +/- 0.93  25.668% * 93.5435% (1.00 10.00   3.30  51.04) =  86.797%  kept
          QD    PHE   72 - HB    VAL   70   2.84 +/- 0.75  63.320% *  5.7346% (0.31  1.00   3.96  51.04) =  13.126%  kept
        T HZ    PHE   72 - QG    GLN   17  12.72 +/- 4.59   2.957% *  0.6970% (0.19 10.00   0.08   0.02) =   0.074%
          QD    PHE   72 - QG    GLN   17  10.29 +/- 4.07   4.014% *  0.0054% (0.06  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - HB    VAL   70  12.05 +/- 1.59   1.053% *  0.0164% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  16.58 +/- 5.71   2.988% *  0.0030% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 4.45, residual support = 51.0:
          QE    PHE   72 - HB    VAL   70   2.70 +/- 0.76  90.563% * 98.9572% (0.73   4.45  51.04) =  99.982%  kept
          QD    PHE   95 - HB    VAL   70  10.02 +/- 1.98   2.766% *  0.2300% (0.38   0.02   0.02) =   0.007%
          HN    ALA   47 - HB    VAL   70  16.48 +/- 2.53   0.831% *  0.5797% (0.95   0.02   0.02) =   0.005%
          QE    PHE   72 - QG    GLN   17  10.80 +/- 4.01   4.409% *  0.0827% (0.13   0.02   0.02) =   0.004%
          HN    ALA   47 - QG    GLN   17  19.75 +/- 5.72   0.499% *  0.1077% (0.18   0.02   0.02) =   0.001%
          QD    PHE   95 - QG    GLN   17  15.48 +/- 3.44   0.932% *  0.0427% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.43, residual support = 79.3:
      O   HN    VAL   70 - HB    VAL   70   2.65 +/- 0.35  92.717% * 99.9336% (0.76  10.0   4.43  79.30) =  99.999%  kept
          HN    VAL   70 - QG    GLN   17  11.91 +/- 4.83   4.576% *  0.0186% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - QG    GLN   17  19.52 +/- 6.88   2.313% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  17.54 +/- 1.55   0.394% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.76, residual support = 79.3:
          HN    VAL   70 - QG1   VAL   70   2.47 +/- 0.52  97.435% * 98.2541% (0.28   4.76  79.30) =  99.982%  kept
          HN    THR   94 - QG1   VAL   70  12.30 +/- 2.21   2.027% *  0.5572% (0.38   0.02   0.02) =   0.012%
          HN    GLU-  79 - QG1   VAL   70  15.60 +/- 1.68   0.538% *  1.1887% (0.80   0.02   0.02) =   0.007%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.36, support = 1.56, residual support = 0.666:
          HN    VAL   42 - QG2   VAL   70   3.71 +/- 1.21  57.773% * 30.7433% (0.35   1.27   0.62) =  51.747%  kept
          HN    LEU   73 - QG2   VAL   70   5.79 +/- 0.74  26.738% * 51.8721% (0.35   2.14   0.85) =  40.408%  kept
          HN    ILE   19 - QG2   VAL   70   9.45 +/- 3.64  15.489% * 17.3846% (0.52   0.48   0.02) =   7.845%  kept
    Distance limit 3.87 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.483, support = 5.92, residual support = 34.2:
        T HG    LEU   40 - QG2   VAL   70   2.78 +/- 0.96  36.273% * 47.4478% (0.54 10.00   6.52  36.73) =  80.586%  kept
        T HB3   LEU   40 - QG2   VAL   70   4.25 +/- 1.09  13.618% * 19.5498% (0.22 10.00   3.99  36.73) =  12.465%  kept
        T HG    LEU   73 - QG2   VAL   70   7.38 +/- 0.97   4.319% * 30.7625% (0.35 10.00   2.68   0.85) =   6.221%  kept
          HG    LEU   67 - QG2   VAL   70   5.13 +/- 1.42   9.736% *  1.1407% (0.53  1.00   0.48   0.14) =   0.520%  kept
          HB3   LEU   67 - QG2   VAL   70   4.95 +/- 1.47  12.281% *  0.2203% (0.15  1.00   0.33   0.14) =   0.127%  kept
        T HB3   LEU  115 - QG2   VAL   70  11.65 +/- 2.16   1.688% *  0.4745% (0.54 10.00   0.02   0.02) =   0.038%
        T HG    LEU  115 - QG2   VAL   70  12.05 +/- 2.49   1.995% *  0.3076% (0.35 10.00   0.02   0.02) =   0.029%
          QG    LYS+  66 - QG2   VAL   70   7.29 +/- 1.54   7.065% *  0.0213% (0.24  1.00   0.02   0.02) =   0.007%
          QB    ALA   61 - QG2   VAL   70   7.77 +/- 1.90  10.990% *  0.0083% (0.09  1.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QG2   VAL   70  12.34 +/- 2.86   1.629% *  0.0308% (0.35  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - QG2   VAL   70  13.27 +/- 1.43   0.408% *  0.0363% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.42, support = 3.85, residual support = 51.0:
        T QD    PHE   72 - QG2   VAL   70   2.15 +/- 0.44  84.106% * 55.2900% (0.43 10.00   3.74  51.04) =  87.938%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.35 +/- 0.43  14.278% * 44.6681% (0.35 10.00   4.64  51.04) =  12.060%  kept
          QE    PHE   45 - QG2   VAL   70   9.31 +/- 1.18   1.616% *  0.0419% (0.33  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.37, residual support = 51.0:
          QE    PHE   72 - QG2   VAL   70   2.82 +/- 0.53  94.884% * 99.6781% (0.54   5.37  51.04) =  99.992%  kept
          HD22  ASN   28 - QG2   VAL   70  11.13 +/- 2.43   3.771% *  0.1266% (0.18   0.02   0.02) =   0.005%
          HN    ALA   47 - QG2   VAL   70  13.82 +/- 1.78   1.345% *  0.1953% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.36, residual support = 34.8:
          HN    LEU   71 - QG2   VAL   70   2.87 +/- 0.56  91.183% * 99.3767% (0.51   6.36  34.78) =  99.990%  kept
          HN    GLN  116 - QG2   VAL   70  13.53 +/- 2.58   1.643% *  0.1739% (0.28   0.02   0.02) =   0.003%
          HN    GLU- 114 - QG2   VAL   70  15.40 +/- 2.15   0.847% *  0.3127% (0.51   0.02   0.02) =   0.003%
          HN    THR  118 - QG2   VAL   70  12.43 +/- 2.65   2.471% *  0.0919% (0.15   0.02   0.02) =   0.003%
          HN    PHE   60 - QG2   VAL   70   9.53 +/- 1.95   3.856% *  0.0447% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.92, residual support = 51.0:
        T HZ    PHE   72 - QG1   VAL   70   4.66 +/- 1.05  35.325% * 82.8748% (0.65 10.00   2.78  51.04) =  73.634%  kept
          QD    PHE   72 - QG1   VAL   70   3.69 +/- 0.66  61.478% * 17.0475% (0.80  1.00   3.32  51.04) =  26.360%  kept
          QE    PHE   45 - QG1   VAL   70  10.69 +/- 1.48   3.197% *  0.0777% (0.61  1.00   0.02   0.02) =   0.006%
    Distance limit 3.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 0.744, residual support = 2.82:
          HA    VAL   41 - HB2   LEU   71   6.09 +/- 2.66  71.045% * 95.8609% (0.92   0.75   2.84) =  99.244%  kept
          HA    HIS  122 - HB2   LEU   71  16.94 +/- 5.85  14.607% *  2.6725% (0.97   0.02   0.02) =   0.569%  kept
          HA    PHE   45 - HB2   LEU   71  14.97 +/- 2.27  11.004% *  1.0393% (0.38   0.02   0.02) =   0.167%  kept
          HA    MET   92 - HB2   LEU   71  21.35 +/- 3.45   3.343% *  0.4273% (0.15   0.02   0.02) =   0.021%
    Distance limit 3.68 A violated in 13 structures by 2.44 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.35, residual support = 139.5:
      O   HN    LEU   71 - HB2   LEU   71   2.65 +/- 0.49  95.438% * 99.8011% (0.95  10.0   6.35 139.47) =  99.998%  kept
          HN    THR  118 - HB2   LEU   71  18.15 +/- 4.66   2.156% *  0.0293% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB2   LEU   71  21.74 +/- 4.17   0.451% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  19.53 +/- 4.27   0.796% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   LEU   71  14.46 +/- 2.89   1.159% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.28, residual support = 139.5:
      O   HN    LEU   71 - HB3   LEU   71   3.30 +/- 0.45  89.501% * 99.8011% (0.95  10.0   6.28 139.47) =  99.996%  kept
          HN    THR  118 - HB3   LEU   71  18.68 +/- 5.10   4.584% *  0.0293% (0.28   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HB3   LEU   71  22.20 +/- 4.56   0.845% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB3   LEU   71  19.96 +/- 4.69   1.362% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB3   LEU   71  14.68 +/- 3.14   3.709% *  0.0143% (0.14   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 139.4:
      O   HB2   LEU   71 - HG    LEU   71   2.48 +/- 0.11  65.344% * 99.3720% (0.97  10.0   4.93 139.47) =  99.985%  kept
          QB    LYS+  66 - HG    LEU   71  11.13 +/- 2.61   4.494% *  0.0707% (0.69   1.0   0.02   0.02) =   0.005%
          HB    VAL   41 - HG    LEU   71   8.63 +/- 2.29   3.465% *  0.0501% (0.49   1.0   0.02   2.84) =   0.003%
          QB    LYS+  65 - HG    LEU   71  11.43 +/- 2.10   1.181% *  0.1009% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   GLN   17 - HG    LEU   71  13.76 +/- 6.23   2.136% *  0.0501% (0.49   1.0   0.02   0.02) =   0.002%
          HB    VAL   41 - HG13  ILE   19  13.33 +/- 4.97   7.662% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG13  ILE   19  11.88 +/- 5.94   3.414% *  0.0142% (0.14   1.0   0.02   0.29) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.71 +/- 1.50   5.595% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  15.35 +/- 2.22   0.346% *  0.1030% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG    LEU   71  20.14 +/- 3.43   0.201% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  14.72 +/- 2.41   0.416% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  13.19 +/- 3.97   0.848% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.70 +/- 6.10   0.592% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  14.12 +/- 3.60   0.722% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  20.12 +/- 6.57   2.765% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.69 +/- 3.58   0.205% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  21.71 +/- 4.44   0.189% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  23.78 +/- 3.98   0.098% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.40 +/- 3.30   0.226% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.87 +/- 3.53   0.101% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 139.5:
          HN    LEU   71 - QD2   LEU   71   3.23 +/- 0.95  90.795% * 99.7037% (0.87   6.76 139.47) =  99.990%  kept
          HN    GLU- 114 - QD2   LEU   71  18.66 +/- 4.27   2.859% *  0.1655% (0.49   0.02   0.02) =   0.005%
          HN    THR   26 - QD2   LEU   71  13.27 +/- 2.59   3.126% *  0.0848% (0.25   0.02   0.02) =   0.003%
          HN    GLN  116 - QD2   LEU   71  16.73 +/- 4.37   3.220% *  0.0460% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.51, residual support = 20.2:
          HN    PHE   72 - QD2   LEU   71   3.78 +/- 0.34  96.653% * 99.5841% (0.73   5.51  20.24) =  99.986%  kept
          HN    LEU  104 - QD2   LEU   71  12.67 +/- 1.63   3.347% *  0.4159% (0.84   0.02   0.02) =   0.014%
    Distance limit 3.35 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.611, support = 5.52, residual support = 43.3:
      O   HN    LEU   73 - HA    PHE   72   2.60 +/- 0.19  62.335% * 93.8455% (0.61  10.0   5.63  44.33) =  97.427%  kept
          HN    VAL   42 - HA    PHE   72   4.82 +/- 1.92  27.125% *  5.4774% (0.61   1.0   1.17   4.11) =   2.474%  kept
          HN    ILE   19 - HA    PHE   72   9.55 +/- 6.94  10.053% *  0.5832% (0.13   1.0   0.57   1.04) =   0.098%
          HN    LYS+ 106 - HA    PHE   72  15.28 +/- 2.35   0.486% *  0.0938% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 2.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.07, residual support = 90.3:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.02  98.564% * 99.9786% (0.71  10.0   5.07  90.29) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.80 +/- 1.96   1.436% *  0.0214% (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 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.408, support = 2.26, residual support = 33.3:
          HG    LEU   73 - HA    PHE   72   4.58 +/- 0.81  33.251% * 48.8738% (0.37   2.72  44.33) =  72.693%  kept
          HB3   LYS+  74 - HA    PHE   72   7.63 +/- 1.34  11.902% * 26.3579% (0.31   1.74   1.79) =  14.033%  kept
          HG12  ILE   19 - HA    PHE   72   9.83 +/- 6.46  20.578% * 10.6386% (0.74   0.30   1.04) =   9.793%  kept
          HB3   LEU   67 - HA    PHE   72   8.63 +/- 1.78   6.353% * 10.2366% (0.66   0.32  26.43) =   2.909%  kept
          QB    ALA   61 - HA    PHE   72   9.42 +/- 1.92   8.180% *  0.7130% (0.74   0.02   0.02) =   0.261%  kept
          HD3   LYS+ 121 - HA    PHE   72  17.00 +/- 5.31   6.063% *  0.3313% (0.34   0.02   0.02) =   0.090%
          QG    LYS+  66 - HA    PHE   72  11.00 +/- 1.69   2.816% *  0.5075% (0.52   0.02   0.91) =   0.064%
          HG    LEU   80 - HA    PHE   72  14.54 +/- 3.37   1.293% *  0.7372% (0.76   0.02   0.02) =   0.043%
          QB    LEU   98 - HA    PHE   72   9.12 +/- 2.06   6.412% *  0.1462% (0.15   0.02   0.02) =   0.042%
          QB    ALA  110 - HA    PHE   72  17.40 +/- 3.23   1.233% *  0.7323% (0.76   0.02   0.02) =   0.040%
          HB2   LEU   80 - HA    PHE   72  14.68 +/- 2.60   1.153% *  0.4481% (0.46   0.02   0.02) =   0.023%
          HG2   LYS+ 102 - HA    PHE   72  17.17 +/- 2.37   0.765% *  0.2773% (0.29   0.02   0.02) =   0.009%
    Distance limit 3.53 A violated in 1 structures by 0.47 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   3.50 +/- 1.01  49.075% * 98.7271% (0.82   5.59  44.33) =  99.742%  kept
          QG1   VAL   43 - HB2   PHE   72   6.43 +/- 1.75  14.521% *  0.3167% (0.17   0.09   0.02) =   0.095%
          HG    LEU   31 - HB2   PHE   72   9.84 +/- 2.96  12.924% *  0.3234% (0.75   0.02   0.02) =   0.086%
          QG1   VAL   41 - HB2   PHE   72   6.77 +/- 2.43  19.015% *  0.1230% (0.28   0.02   0.02) =   0.048%
          QD1   ILE   56 - HB2   PHE   72  12.09 +/- 2.83   3.683% *  0.3480% (0.81   0.02   0.02) =   0.026%
          HG3   LYS+ 121 - HB2   PHE   72  16.58 +/- 4.27   0.782% *  0.1617% (0.37   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 1 structures by 0.31 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.36, residual support = 45.9:
        T QB    ALA   64 - HB2   PHE   72   3.88 +/- 1.24  94.205% * 99.9825% (0.84 10.00   3.36  45.90) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  13.92 +/- 1.32   5.795% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 3 structures by 0.54 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.72, support = 6.04, residual support = 43.6:
          QD2   LEU   73 - HB3   PHE   72   4.12 +/- 0.94  36.268% * 95.6357% (0.72   6.14  44.33) =  98.355%  kept
          QG2   VAL   18 - HB3   PHE   72   9.28 +/- 4.95  14.336% *  2.3938% (0.33   0.34   0.89) =   0.973%  kept
          QG1   VAL   43 - HB3   PHE   72   6.57 +/- 1.50  13.011% *  1.0040% (0.53   0.09   0.02) =   0.370%  kept
          QG1   VAL   41 - HB3   PHE   72   6.49 +/- 2.34  19.214% *  0.2987% (0.69   0.02   0.02) =   0.163%  kept
          HG    LEU   31 - HB3   PHE   72  10.18 +/- 2.76  10.733% *  0.3529% (0.82   0.02   0.02) =   0.107%  kept
          QD1   ILE   56 - HB3   PHE   72  12.26 +/- 2.91   4.054% *  0.2112% (0.49   0.02   0.02) =   0.024%
          QG2   THR   46 - HB3   PHE   72  10.52 +/- 1.47   2.384% *  0.1037% (0.24   0.02   0.02) =   0.007%
    Distance limit 3.60 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.74, residual support = 45.9:
        T QB    ALA   64 - HB3   PHE   72   4.12 +/- 1.06  88.115% * 99.9693% (0.63 10.00   3.74  45.90) =  99.996%  kept
          QD1   LEU  115 - HB3   PHE   72  11.58 +/- 3.06  11.885% *  0.0307% (0.19  1.00   0.02   0.02) =   0.004%
    Distance limit 3.66 A violated in 4 structures by 0.70 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.571, support = 1.06, residual support = 15.1:
        T HA    VAL   18 - HB2   PHE   72   9.93 +/- 6.69  32.659% * 69.4007% (0.47 10.00   0.75   0.89) =  71.427%  kept
          HA    VAL   70 - HB2   PHE   72   6.47 +/- 1.01  30.638% * 29.3284% (0.82  1.00   1.84  51.04) =  28.317%  kept
          HA    GLN  116 - HB2   PHE   72  15.49 +/- 4.78  13.747% *  0.3196% (0.82  1.00   0.02   0.02) =   0.138%  kept
          HB2   SER   37 - HB2   PHE   72  11.84 +/- 1.76   4.791% *  0.1978% (0.51  1.00   0.02   0.02) =   0.030%
          HA    LYS+  33 - HB2   PHE   72  14.02 +/- 2.64   3.788% *  0.2492% (0.64  1.00   0.02   0.02) =   0.030%
          HA    GLU-  29 - HB2   PHE   72  14.10 +/- 2.77   4.624% *  0.1978% (0.51  1.00   0.02   0.02) =   0.029%
          HA1   GLY   16 - HB2   PHE   72  14.02 +/- 6.22   6.703% *  0.0907% (0.23  1.00   0.02   0.02) =   0.019%
          HB2   SER   82 - HB2   PHE   72  18.45 +/- 3.17   1.458% *  0.1587% (0.41  1.00   0.02   0.02) =   0.007%
          HA    SER   48 - HB2   PHE   72  17.61 +/- 2.51   1.592% *  0.0571% (0.15  1.00   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 5 structures by 1.33 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 1.66, residual support = 45.1:
          HA    VAL   70 - HB3   PHE   72   5.71 +/- 0.56  38.860% * 76.2471% (0.53  1.00   1.76  51.04) =  88.250%  kept
          HA    VAL   18 - HB3   PHE   72  10.13 +/- 6.61  26.149% * 13.0336% (0.15  1.00   1.04   0.89) =  10.151%  kept
        T HA    LYS+  33 - HB3   PHE   72  13.90 +/- 2.75   3.683% *  4.4033% (0.27 10.00   0.02   0.02) =   0.483%  kept
          HA    GLN  116 - HB3   PHE   72  15.46 +/- 4.69  12.323% *  0.8653% (0.53  1.00   0.02   0.02) =   0.318%  kept
        T HA    GLU-  29 - HB3   PHE   72  14.40 +/- 2.66   3.595% *  2.8233% (0.17 10.00   0.02   0.02) =   0.302%  kept
          HB2   SER   37 - HB3   PHE   72  11.33 +/- 1.85   5.928% *  1.3984% (0.85  1.00   0.02   0.02) =   0.247%  kept
          HA1   GLY   16 - HB3   PHE   72  13.67 +/- 6.41   7.760% *  1.0360% (0.63  1.00   0.02   0.02) =   0.239%  kept
          HB2   SER   82 - HB3   PHE   72  18.99 +/- 2.81   1.702% *  0.1931% (0.12  1.00   0.02   0.02) =   0.010%
    Distance limit 3.91 A violated in 6 structures by 1.27 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.82, residual support = 90.3:
      O T QD    PHE   72 - HB3   PHE   72   2.45 +/- 0.14  91.124% * 94.5366% (0.87  10.0 10.00   4.83  90.29) =  99.614%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   6.888% *  4.5888% (0.27   1.0  1.00   3.14  90.29) =   0.365%  kept
        T QE    PHE   45 - HB3   PHE   72   9.99 +/- 1.69   1.988% *  0.8746% (0.80   1.0 10.00   0.02   0.02) =   0.020%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.831, support = 4.54, residual support = 90.3:
      O T QD    PHE   72 - HB2   PHE   72   2.47 +/- 0.17  91.120% * 95.4932% (0.83  10.0 10.00   4.54  90.29) =  99.640%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   7.086% *  4.4184% (0.26   1.0  1.00   2.99  90.29) =   0.359%  kept
          QE    PHE   45 - HB2   PHE   72   9.66 +/- 1.41   1.793% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.96, residual support = 90.3:
      O   HN    PHE   72 - HB2   PHE   72   3.45 +/- 0.44  97.255% * 99.9402% (0.79  10.0   4.96  90.29) =  99.998%  kept
          HN    LEU  104 - HB2   PHE   72  12.44 +/- 1.86   2.745% *  0.0598% (0.47   1.0   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.909, support = 0.717, residual support = 3.94:
          HG3   GLN   30 - HA    LEU   73   9.80 +/- 5.46  20.554% * 50.2690% (0.99   0.73   4.06) =  59.120%  kept
          HB2   GLN   30 - HA    LEU   73   9.82 +/- 4.52  15.928% * 41.8444% (0.80   0.75   4.06) =  38.135%  kept
          HB3   PRO   68 - HA    LEU   73  13.63 +/- 1.93   7.843% *  1.2088% (0.87   0.02   0.02) =   0.542%  kept
          HB    ILE  119 - HA    LEU   73  17.71 +/- 4.01   6.131% *  1.1159% (0.80   0.02   0.02) =   0.391%  kept
          HB2   GLN   17 - HA    LEU   73  13.17 +/- 6.72   9.523% *  0.6783% (0.49   0.02   0.02) =   0.370%  kept
          HB3   GLU- 100 - HA    LEU   73  17.93 +/- 2.74   4.719% *  1.2088% (0.87   0.02   0.02) =   0.326%  kept
          HB    VAL  108 - HA    LEU   73  18.02 +/- 3.21   5.821% *  0.7890% (0.57   0.02   0.02) =   0.263%  kept
          HB2   PRO   93 - HA    LEU   73  13.14 +/- 2.70  12.818% *  0.3102% (0.22   0.02   0.02) =   0.228%  kept
          QB    GLU-  15 - HA    LEU   73  14.86 +/- 5.65   5.229% *  0.6783% (0.49   0.02   0.02) =   0.203%  kept
          HB2   ARG+  54 - HA    LEU   73  18.68 +/- 4.30   4.536% *  0.6783% (0.49   0.02   0.02) =   0.176%  kept
          HB2   LYS+ 111 - HA    LEU   73  20.83 +/- 4.36   3.683% *  0.7890% (0.57   0.02   0.02) =   0.166%  kept
          HB3   GLU-  25 - HA    LEU   73  15.83 +/- 3.82   3.214% *  0.4301% (0.31   0.02   0.02) =   0.079%
    Distance limit 3.79 A violated in 14 structures by 3.01 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.78, residual support = 43.1:
      O   HN    LYS+  74 - HA    LEU   73   2.60 +/- 0.18  96.463% * 99.6525% (0.69  10.0   5.78  43.08) =  99.997%  kept
          HN    MET   11 - HA    LEU   73  21.16 +/- 5.58   0.749% *  0.1400% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LEU   73  10.83 +/- 1.93   1.821% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HA    LEU   73  19.27 +/- 3.91   0.369% *  0.1448% (1.00   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LEU   73  16.30 +/- 3.05   0.599% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.791, support = 6.47, residual support = 171.2:
      O   HN    LEU   73 - HA    LEU   73   2.87 +/- 0.05  59.595% * 96.2889% (0.80  10.0   6.54 173.81) =  98.426%  kept
          HN    ILE   19 - HA    LEU   73   9.19 +/- 8.90  35.048% *  2.4562% (0.18   1.0   2.33   5.02) =   1.477%  kept
          HN    VAL   42 - HA    LEU   73   7.32 +/- 1.41   4.846% *  1.1586% (0.80   1.0   0.24   0.64) =   0.096%
          HN    LYS+ 106 - HA    LEU   73  16.77 +/- 2.77   0.511% *  0.0963% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.34 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 = 6.28, residual support = 173.6:
      O   HN    LEU   73 - HB2   LEU   73   3.33 +/- 0.35  90.357% * 98.5522% (0.38  10.0   6.28 173.81) =  99.883%  kept
          HN    VAL   42 - HB2   LEU   73   8.34 +/- 1.38   8.536% *  1.1858% (0.38   1.0   0.24   0.64) =   0.114%  kept
          HN    LYS+ 106 - HB2   LEU   73  17.14 +/- 3.40   1.108% *  0.2620% (1.00   1.0   0.02   0.02) =   0.003%
    Distance limit 4.02 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 = 0.981, support = 0.02, residual support = 0.255:
        T HA    HIS   22 - HB2   LEU   73  10.92 +/- 6.02  38.801% * 84.8829% (1.00 10.00   0.02   0.02) =  88.423%  kept
          HA    VAL   43 - HB2   LEU   73   7.07 +/- 1.78  51.187% *  6.7969% (0.80  1.00   0.02   2.53) =   9.341%  kept
          HA    ASN   69 - HB2   LEU   73  13.50 +/- 1.39  10.013% *  8.3202% (0.98  1.00   0.02   0.02) =   2.237%  kept
    Distance limit 4.00 A violated in 15 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.53, residual support = 43.1:
          HN    LYS+  74 - HB3   LEU   73   3.32 +/- 0.92  92.805% * 97.5381% (0.25   5.53  43.08) =  99.935%  kept
          HN    LYS+ 112 - HB3   LEU   73  19.14 +/- 4.39   2.473% *  1.0804% (0.76   0.02   0.02) =   0.029%
          HN    MET   11 - HB3   LEU   73  21.54 +/- 5.89   2.150% *  0.8003% (0.57   0.02   0.02) =   0.019%
          HN    ASP-  78 - HB3   LEU   73  12.49 +/- 1.03   2.572% *  0.5812% (0.41   0.02   0.02) =   0.017%
    Distance limit 4.18 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.736, support = 5.42, residual support = 160.0:
          HN    LEU   73 - HG    LEU   73   2.79 +/- 0.63  33.634% * 67.8233% (0.80   5.69 173.81) =  87.820%  kept
          HN    ILE   19 - HG12  ILE   19   2.92 +/- 0.93  33.471% *  4.5228% (0.06   5.31 124.11) =   5.828%  kept
          HN    VAL   42 - HG    LEU   73   7.16 +/- 1.85   5.230% * 14.7413% (0.80   1.24   0.64) =   2.968%  kept
          HN    VAL   42 - HG    LEU   40   4.53 +/- 0.94   9.825% *  5.2706% (0.15   2.37   1.90) =   1.994%  kept
          HN    ILE   19 - HG    LEU   73   9.93 +/- 7.39   5.310% *  6.2275% (0.18   2.39   5.02) =   1.273%  kept
          HN    LEU   73 - HG12  ILE   19   9.99 +/- 6.60   3.349% *  0.8070% (0.26   0.21   5.02) =   0.104%  kept
          HN    VAL   42 - HG12  ILE   19  12.26 +/- 5.44   1.196% *  0.0779% (0.26   0.02   0.02) =   0.004%
          HN    LEU   73 - HG    LEU   40   8.45 +/- 1.65   1.626% *  0.0445% (0.15   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   73  15.91 +/- 3.32   0.291% *  0.2385% (0.80   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   40  12.49 +/- 1.38   0.541% *  0.0445% (0.15   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   80  14.35 +/- 3.77   0.679% *  0.0290% (0.10   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   80  12.82 +/- 3.69   0.672% *  0.0290% (0.10   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU  115  14.76 +/- 4.80   2.123% *  0.0066% (0.02   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.15 +/- 2.64   0.135% *  0.0779% (0.26   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  13.20 +/- 3.87   0.462% *  0.0097% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.33 +/- 2.31   0.532% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  20.68 +/- 3.29   0.111% *  0.0290% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  18.19 +/-10.19   0.468% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  15.11 +/- 2.77   0.231% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  18.69 +/- 2.73   0.115% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.147, support = 1.31, residual support = 1.74:
          HN    LEU   71 - HG    LEU   40   4.83 +/- 0.64  44.091% * 21.0657% (0.05   1.75   1.89) =  54.809%  kept
          HN    LEU   71 - HG    LEU   73   9.09 +/- 1.30   9.413% * 56.7708% (0.28   0.88   2.12) =  31.535%  kept
          HN    LEU   71 - HG12  ILE   19  11.66 +/- 5.36  11.182% * 15.5250% (0.09   0.74   0.29) =  10.244%  kept
          HN    THR   26 - HG    LEU   73  11.81 +/- 4.68  10.393% *  3.8773% (0.84   0.02   0.02) =   2.378%  kept
          HN    THR   26 - HG12  ILE   19  10.04 +/- 2.10   8.786% *  1.2662% (0.27   0.02   0.02) =   0.657%  kept
          HN    THR   26 - HG    LEU   80  14.70 +/-10.12  10.856% *  0.4718% (0.10   0.02   0.02) =   0.302%  kept
          HN    THR   26 - HG    LEU   40  16.97 +/- 2.20   1.254% *  0.7229% (0.16   0.02   0.02) =   0.054%
          HN    LEU   71 - HG    LEU   80  17.64 +/- 3.37   1.409% *  0.1570% (0.03   0.02   0.02) =   0.013%
          HN    LEU   71 - HG    LEU  115  16.82 +/- 3.67   1.981% *  0.0358% (0.01   0.02   0.02) =   0.004%
          HN    THR   26 - HG    LEU  115  23.09 +/- 4.81   0.634% *  0.1075% (0.02   0.02   0.02) =   0.004%
    Distance limit 4.01 A violated in 0 structures by 0.56 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 = 8.07, residual support = 173.2:
          HN    LEU   73 - QD2   LEU   73   2.07 +/- 0.77  87.954% * 96.1337% (0.38   8.10 173.81) =  99.667%  kept
          HN    VAL   42 - QD2   LEU   73   5.58 +/- 1.80   9.645% *  2.8576% (0.38   0.24   0.64) =   0.325%  kept
          HN    LYS+ 106 - QD2   LEU   73  13.40 +/- 2.57   0.602% *  0.6314% (1.00   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HG3   LYS+ 121  11.22 +/- 5.79   1.110% *  0.2153% (0.34   0.02   0.02) =   0.003%
          HN    LEU   73 - HG3   LYS+ 121  17.80 +/- 4.51   0.352% *  0.0810% (0.13   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  16.20 +/- 4.75   0.337% *  0.0810% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 6.03, residual support = 43.0:
          HN    LYS+  74 - QD2   LEU   73   3.91 +/- 0.59  85.765% * 96.8817% (0.25   6.03  43.08) =  99.903%  kept
          HN    LYS+ 112 - QD2   LEU   73  16.24 +/- 3.81   2.862% *  0.9846% (0.76   0.02   0.02) =   0.034%
          HN    MET   11 - QD2   LEU   73  17.31 +/- 4.39   3.007% *  0.7294% (0.57   0.02   0.02) =   0.026%
          HN    ASP-  78 - QD2   LEU   73  11.39 +/- 1.40   3.813% *  0.5297% (0.41   0.02   0.02) =   0.024%
          HN    MET   11 - HG3   LYS+ 121  29.03 +/- 9.94   1.728% *  0.2487% (0.19   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HG3   LYS+ 121  17.07 +/- 1.08   1.217% *  0.3357% (0.26   0.02   0.02) =   0.005%
          HN    LYS+  74 - HG3   LYS+ 121  20.01 +/- 4.14   1.177% *  0.1095% (0.09   0.02   0.02) =   0.002%
          HN    ASP-  78 - HG3   LYS+ 121  24.26 +/- 2.04   0.431% *  0.1806% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.82, residual support = 186.6:
      O   HN    LYS+  74 - HB2   LYS+  74   2.87 +/- 0.53  88.215% * 98.7608% (0.20  10.0   5.82 186.64) =  99.955%  kept
          HN    MET   11 - HB2   LYS+  74  21.76 +/- 6.49   8.731% *  0.2242% (0.45   1.0   0.02   0.02) =   0.022%
          HN    ASP-  78 - HB2   LYS+  74  10.26 +/- 0.75   2.451% *  0.7123% (0.33   1.0   0.09   0.02) =   0.020%
          HN    LYS+ 112 - HB2   LYS+  74  18.89 +/- 3.57   0.603% *  0.3027% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.413, support = 4.47, residual support = 31.7:
          HN    VAL   75 - HB3   LYS+  74   4.44 +/- 0.22  79.382% * 95.5633% (0.41   4.48  31.83) =  99.626%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.40 +/- 1.00   6.523% *  3.9350% (0.87   0.09   0.02) =   0.337%  kept
          HN    MET   11 - HB3   LYS+  74  21.78 +/- 6.20  12.538% *  0.1816% (0.18   0.02   0.02) =   0.030%
          HN    LYS+ 112 - HB3   LYS+  74  18.94 +/- 3.54   1.557% *  0.3201% (0.31   0.02   0.02) =   0.007%
    Distance limit 3.75 A violated in 0 structures by 0.68 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.89, residual support = 31.8:
          HN    VAL   75 - HG2   LYS+  74   3.48 +/- 0.62  89.965% * 98.2142% (0.84   5.90  31.83) =  99.878%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.99 +/- 1.16   6.244% *  1.7085% (0.98   0.09   0.02) =   0.121%  kept
          HN    ASP-  78 - HG3   LYS+ 111  19.16 +/- 5.01   2.776% *  0.0417% (0.10   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.55 +/- 3.17   1.016% *  0.0356% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.724, residual support = 0.723:
          QG1   VAL   75 - HA    THR   77   3.92 +/- 0.37  92.485% * 97.9091% (0.84   0.73   0.72) =  99.827%  kept
          QD1   LEU  115 - HA    THR   77  12.77 +/- 2.79   7.515% *  2.0909% (0.65   0.02   0.02) =   0.173%  kept
    Distance limit 3.56 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 40.0:
      O   HN    ASP-  78 - HB3   ASP-  78   2.80 +/- 0.55  97.634% * 99.9053% (0.95  10.0   3.95  39.98) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.15 +/- 0.89   2.366% *  0.0947% (0.90   1.0   0.02   0.30) =   0.002%
    Distance limit 3.59 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 = 5.38, residual support = 40.0:
      O   HN    ASP-  78 - HB2   ASP-  78   2.59 +/- 0.43  98.064% * 99.9053% (0.95  10.0   5.38  39.98) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78   9.97 +/- 0.81   1.936% *  0.0947% (0.90   1.0   0.02   0.30) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 56.7:
      O T HB3   GLU-  79 - HA    GLU-  79   2.76 +/- 0.20  97.515% * 99.1581% (1.00  10.0 10.00   4.39  56.73) =  99.993%  kept
        T HB2   GLN   90 - HA    GLU-  79  13.60 +/- 1.84   1.055% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HB3   GLU-  29 - HA    GLU-  79  21.62 +/- 6.94   0.520% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.51 +/- 3.37   0.208% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  21.12 +/- 7.42   0.459% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  25.62 +/- 3.96   0.243% *  0.0221% (0.22   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 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 56.7:
      O   QG    GLU-  79 - HB3   GLU-  79   2.39 +/- 0.16  97.572% * 99.5936% (0.98  10.0   3.65  56.73) =  99.999%  kept
          QG    GLU-  79 - HB2   GLN   90  13.47 +/- 1.25   0.618% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  20.42 +/- 4.78   0.262% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  23.82 +/- 4.36   0.245% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  23.99 +/- 3.54   0.152% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.07 +/- 2.41   0.188% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  18.86 +/- 1.86   0.233% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  26.28 +/- 4.58   0.105% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  23.32 +/- 2.70   0.127% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  21.36 +/- 1.51   0.150% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  17.57 +/- 1.15   0.276% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  27.77 +/- 2.46   0.071% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 0.883, support = 3.25, residual support = 11.4:
          HB2   ASP-  76 - HB3   GLU-  79   3.34 +/- 1.17  62.103% * 32.6640% (1.00  1.00   1.81   2.25) =  50.820%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.15 +/- 1.02  29.926% * 65.5295% (0.76  1.00   4.74  20.97) =  49.129%  kept
        T HB2   ASN   28 - HB3   GLU-  79  17.62 +/- 6.70   2.051% *  0.6335% (0.18 10.00   0.02   0.02) =   0.033%
          HB2   ASP-  78 - HB2   GLN   90  11.94 +/- 2.33   2.057% *  0.1027% (0.28  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  76 - HB2   GLN   90  13.59 +/- 1.68   1.349% *  0.1341% (0.37  1.00   0.02   0.02) =   0.005%
          HB2   ASN   69 - HB3   GLU-  79  21.37 +/- 3.67   0.445% *  0.3491% (0.97  1.00   0.02   0.02) =   0.004%
        T HB2   ASN   28 - HB2   GLN   90  24.61 +/- 5.71   0.353% *  0.2354% (0.07 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   GLU-  79  19.76 +/- 4.50   0.568% *  0.0902% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB3   GLU-  79  18.29 +/- 3.67   0.504% *  0.0716% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB2   GLN   90  28.21 +/- 3.06   0.153% *  0.1297% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  23.41 +/- 3.81   0.309% *  0.0266% (0.07  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  26.59 +/- 3.08   0.183% *  0.0335% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 4.39, residual support = 56.7:
      O T HA    GLU-  79 - HB3   GLU-  79   2.76 +/- 0.20  76.311% * 97.6415% (0.80  10.0 10.00   4.39  56.73) =  99.925%  kept
          HB    THR   77 - HB3   GLU-  79   7.96 +/- 0.70   3.682% *  1.2687% (0.31   1.0  1.00   0.67   0.02) =   0.063%
        T HA    GLU-  79 - HB2   GLN   90  13.60 +/- 1.84   0.824% *  0.3628% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          HA1   GLY   51 - HB3   GLU-  79  19.18 +/- 5.10   1.982% *  0.1153% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HB2   GLN   90   7.14 +/- 1.31   6.852% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   GLN   90   8.85 +/- 2.70   4.986% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  18.99 +/- 4.15   0.352% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  12.90 +/- 1.28   0.986% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.59 +/- 1.21   0.934% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.48 +/- 2.48   0.198% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.14 +/- 3.17   0.393% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  17.89 +/- 3.56   0.438% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  27.50 +/- 6.96   0.568% *  0.0271% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  21.27 +/- 4.61   0.303% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.11 +/- 1.12   0.625% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  26.09 +/- 2.97   0.111% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  21.13 +/- 2.29   0.199% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.82 +/- 1.92   0.080% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.47 +/- 1.60   0.108% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.87 +/- 5.92   0.067% *  0.0101% (0.08   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 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 93.7:
      O T HA    GLN   90 - HB2   GLN   90   2.57 +/- 0.23  81.207% * 87.0336% (0.27  10.0 10.00   3.96  94.86) =  98.164%  kept
          HA    ALA   91 - HB2   GLN   90   5.07 +/- 0.53  13.680% *  9.4554% (0.18   1.0  1.00   3.24  32.14) =   1.797%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.15 +/- 1.84   0.969% *  2.3424% (0.73   1.0 10.00   0.02   0.02) =   0.032%
          HA    ALA  110 - HB3   GLU-  79  20.83 +/- 4.81   0.685% *  0.2694% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB3   GLU-  79  13.74 +/- 1.97   0.725% *  0.1570% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HB3   GLU-  79  15.08 +/- 6.89   1.202% *  0.0897% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   GLN   90  16.32 +/- 2.97   0.439% *  0.1001% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  22.09 +/- 4.47   0.242% *  0.1697% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  20.81 +/- 1.85   0.171% *  0.2087% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.26 +/- 1.46   0.294% *  0.0775% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  22.09 +/- 3.52   0.213% *  0.0631% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  22.39 +/- 4.97   0.172% *  0.0333% (0.10   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 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.883, support = 3.14, residual support = 11.5:
          HB2   ASP-  76 - HB2   GLU-  79   3.34 +/- 1.14  66.250% * 31.6066% (1.00   1.66   2.25) =  50.753%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.10 +/- 0.65  29.967% * 67.7883% (0.76   4.65  20.97) =  49.238%  kept
          HB2   ASN   69 - HB2   GLU-  79  21.14 +/- 3.83   0.408% *  0.3679% (0.97   0.02   0.02) =   0.004%
          HB2   ASN   28 - HB2   GLU-  79  17.43 +/- 6.70   2.189% *  0.0668% (0.18   0.02   0.02) =   0.004%
          QE    LYS+  33 - HB2   GLU-  79  19.55 +/- 4.51   0.604% *  0.0950% (0.25   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLU-  79  18.20 +/- 3.67   0.582% *  0.0754% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.71, residual support = 49.3:
          HN    LEU   80 - HB2   GLU-  79   3.03 +/- 0.51  92.583% * 98.6029% (0.61   5.72  49.36) =  99.977%  kept
          HN    SER   85 - HB2   GLU-  79  10.27 +/- 1.02   3.129% *  0.2769% (0.49   0.02   0.02) =   0.009%
          HN    CYS   53 - HB2   GLU-  79  17.73 +/- 4.89   3.073% *  0.2135% (0.38   0.02   0.02) =   0.007%
          HN    GLN   32 - HB2   GLU-  79  19.39 +/- 5.40   0.722% *  0.4935% (0.87   0.02   0.02) =   0.004%
          HN    ALA   34 - HB2   GLU-  79  19.90 +/- 4.09   0.493% *  0.4131% (0.73   0.02   0.02) =   0.002%
    Distance limit 3.45 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.87, residual support = 49.3:
          HN    LEU   80 - HB3   GLU-  79   3.25 +/- 0.68  78.845% * 98.0222% (0.61   5.87  49.36) =  99.952%  kept
          HN    CYS   53 - HB3   GLU-  79  17.77 +/- 4.87   5.824% *  0.2066% (0.38   0.02   0.02) =   0.016%
          HN    SER   85 - HB3   GLU-  79  10.43 +/- 1.32   2.950% *  0.2679% (0.49   0.02   0.02) =   0.010%
          HN    SER   85 - HB2   GLN   90   8.28 +/- 1.41   7.631% *  0.0995% (0.18   0.02   0.02) =   0.010%
          HN    GLN   32 - HB3   GLU-  79  19.70 +/- 5.31   0.741% *  0.4774% (0.87   0.02   0.02) =   0.005%
          HN    LEU   80 - HB2   GLN   90  12.10 +/- 1.11   2.034% *  0.1240% (0.23   0.02   0.02) =   0.003%
          HN    ALA   34 - HB3   GLU-  79  20.23 +/- 3.95   0.510% *  0.3997% (0.73   0.02   0.02) =   0.003%
          HN    CYS   53 - HB2   GLN   90  17.17 +/- 3.51   0.982% *  0.0768% (0.14   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  26.34 +/- 4.81   0.273% *  0.1774% (0.32   0.02   0.02) =   0.001%
          HN    ALA   34 - HB2   GLN   90  26.98 +/- 3.24   0.211% *  0.1485% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 94.8:
      O   HN    GLN   90 - HB2   GLN   90   3.32 +/- 0.69  86.652% * 98.6230% (0.23  10.0   5.59  94.86) =  99.976%  kept
          HN    GLN   90 - HB3   GLU-  79  12.70 +/- 1.68   2.845% *  0.2654% (0.61   1.0   0.02   0.02) =   0.009%
          HE1   HIS   22 - HB3   GLU-  79  15.40 +/- 9.37   6.430% *  0.0675% (0.15   1.0   0.02   0.02) =   0.005%
          HN    ILE  103 - HB3   GLU-  79  21.43 +/- 3.70   0.844% *  0.3504% (0.80   1.0   0.02   0.02) =   0.003%
          HN    GLY  109 - HB3   GLU-  79  19.64 +/- 2.89   0.618% *  0.3925% (0.90   1.0   0.02   0.02) =   0.003%
          HN    GLY  109 - HB2   GLN   90  14.62 +/- 2.47   1.503% *  0.1458% (0.33   1.0   0.02   0.02) =   0.003%
          HN    ILE  103 - HB2   GLN   90  21.83 +/- 2.75   0.402% *  0.1302% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  23.62 +/- 6.11   0.707% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.23, residual support = 49.3:
          HN    LEU   80 - QG    GLU-  79   3.74 +/- 0.69  84.045% * 98.4774% (0.61   5.24  49.36) =  99.939%  kept
          HN    SER   85 - QG    GLU-  79   9.96 +/- 1.23   7.938% *  0.3018% (0.49   0.02   0.02) =   0.029%
          HN    CYS   53 - QG    GLU-  79  16.99 +/- 4.58   5.188% *  0.2327% (0.38   0.02   0.02) =   0.015%
          HN    GLN   32 - QG    GLU-  79  17.98 +/- 5.23   1.701% *  0.5378% (0.87   0.02   0.02) =   0.011%
          HN    ALA   34 - QG    GLU-  79  18.49 +/- 4.04   1.128% *  0.4502% (0.73   0.02   0.02) =   0.006%
    Distance limit 3.69 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.59, residual support = 49.3:
      O   HN    LEU   80 - HA    GLU-  79   3.45 +/- 0.30  94.290% * 99.2120% (0.28  10.0   5.60  49.36) =  99.982%  kept
          HN    SER   85 - HA    GLU-  79  10.07 +/- 0.76   4.118% *  0.2980% (0.84   1.0   0.02   0.02) =   0.013%
          HN    GLN   32 - HA    GLU-  79  20.93 +/- 5.68   0.991% *  0.3560% (1.00   1.0   0.02   0.02) =   0.004%
          HN    ALA   34 - HA    GLU-  79  21.68 +/- 4.22   0.601% *  0.1339% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.671, support = 4.57, residual support = 85.5:
      O   HB2   LEU   80 - QD2   LEU   80   2.49 +/- 0.35  36.479% * 71.2691% (0.87  10.0  1.00   4.27  85.52) =  62.741%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.01  55.067% * 28.0259% (0.34  10.0  1.00   5.07  85.52) =  37.244%  kept
        T HB3   LEU   73 - QD2   LEU   80   9.56 +/- 3.55   1.477% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.007%
          HG12  ILE   19 - QD2   LEU   80  15.08 +/- 8.35   2.792% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD2   LEU   80   9.43 +/- 2.76   1.219% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   80  11.78 +/- 3.57   0.616% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QD2   LEU   80  15.32 +/- 2.80   0.508% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.76 +/- 3.10   0.466% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  18.10 +/- 4.79   0.168% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  15.46 +/- 6.45   0.324% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  15.83 +/- 3.39   0.223% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  21.32 +/- 3.04   0.065% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.96 +/- 2.41   0.308% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  18.48 +/- 4.72   0.184% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  19.13 +/- 2.93   0.104% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.873, support = 5.71, residual support = 76.4:
          HA    LEU   80 - QD2   LEU   80   2.46 +/- 0.65  67.551% * 59.8795% (0.87   6.21  85.52) =  89.210%  kept
          HA    THR   23 - QD2   LEU   80  10.68 +/- 8.78  18.869% * 18.1852% (0.99   1.65   0.77) =   7.568%  kept
          HB    THR   23 - QD2   LEU   80  11.79 +/- 8.36   7.795% * 11.7551% (0.73   1.46   0.77) =   2.021%  kept
          HA    ASP-  78 - QD2   LEU   80   7.08 +/- 1.21   5.401% * 10.0806% (0.80   1.13   6.13) =   1.201%  kept
          HA    ASP- 105 - QD2   LEU   80  17.69 +/- 2.88   0.385% *  0.0996% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.79 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 4.37, residual support = 24.1:
          HN    LYS+  81 - QD2   LEU   80   4.33 +/- 0.71  43.389% * 41.3201% (0.38   5.95  39.52) =  53.875%  kept
          HE3   TRP   27 - QD2   LEU   80   9.87 +/- 7.32  26.677% * 47.1897% (0.92   2.76   7.25) =  37.829%  kept
          HN    THR   23 - QD2   LEU   80  10.95 +/- 9.19  25.128% * 10.9536% (0.41   1.44   0.77) =   8.271%  kept
          QE    PHE   95 - QD2   LEU   80  12.56 +/- 2.03   2.557% *  0.1658% (0.45   0.02   0.02) =   0.013%
          QD    PHE   55 - QD2   LEU   80  17.20 +/- 2.87   1.022% *  0.3208% (0.87   0.02   0.02) =   0.010%
          HN    LEU   67 - QD2   LEU   80  15.31 +/- 2.37   1.227% *  0.0500% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 2.35, residual support = 5.99:
          HN    VAL   24 - QD2   LEU   80   9.76 +/- 8.69  60.298% * 99.3928% (0.31   2.36   6.01) =  99.599%  kept
          HN    VAL   43 - QD2   LEU   80  10.70 +/- 3.00  39.702% *  0.6072% (0.22   0.02   0.02) =   0.401%  kept
    Distance limit 3.56 A violated in 8 structures by 3.50 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.299, support = 4.37, residual support = 33.2:
          HN    LYS+  81 - QD1   LEU   80   4.23 +/- 1.16  38.750% * 71.1984% (0.24   5.25  39.52) =  81.171%  kept
          HE3   TRP   27 - QD1   LEU   80  10.32 +/- 7.73  27.291% * 19.4526% (0.60   0.58   7.25) =  15.619%  kept
          HN    THR   23 - QD1   LEU   80  11.64 +/- 9.40  14.761% *  6.9929% (0.27   0.47   0.77) =   3.037%  kept
          HE3   TRP   27 - QD2   LEU   98   8.33 +/- 2.57   9.592% *  0.3821% (0.34   0.02   0.02) =   0.108%  kept
          QE    PHE   95 - QD1   LEU   80  12.33 +/- 2.39   2.254% *  0.3237% (0.29   0.02   0.02) =   0.021%
          QD    PHE   55 - QD1   LEU   80  17.17 +/- 3.05   0.712% *  0.6264% (0.56   0.02   0.02) =   0.013%
          QE    PHE   95 - QD2   LEU   98  11.16 +/- 1.19   1.738% *  0.1856% (0.17   0.02   0.02) =   0.009%
          QD    PHE   55 - QD2   LEU   98  16.76 +/- 2.46   0.525% *  0.3590% (0.32   0.02   0.02) =   0.006%
          HN    LYS+  81 - QD2   LEU   98  14.52 +/- 3.32   1.148% *  0.1553% (0.14   0.02   0.02) =   0.005%
          HN    THR   23 - QD2   LEU   98  14.05 +/- 2.43   1.008% *  0.1702% (0.15   0.02   0.02) =   0.005%
          HN    LEU   67 - QD1   LEU   80  15.46 +/- 2.87   0.948% *  0.0977% (0.09   0.02   0.02) =   0.003%
          HN    LEU   67 - QD2   LEU   98  12.40 +/- 1.68   1.272% *  0.0560% (0.05   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.75, residual support = 110.6:
          HN    LYS+  81 - QG    LYS+  81   2.59 +/- 0.49  90.064% * 96.5219% (0.87   5.76 110.64) =  99.966%  kept
          HE3   TRP   27 - QG    LYS+  81  15.99 +/- 5.68   0.929% *  2.4415% (0.45   0.28   0.02) =   0.026%
          HE3   TRP   27 - HG2   LYS+  33   8.71 +/- 0.99   3.343% *  0.0830% (0.21   0.02   0.02) =   0.003%
          QD    PHE   60 - QG    LYS+  81  16.33 +/- 2.86   0.598% *  0.2034% (0.53   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+  33  17.27 +/- 2.57   0.614% *  0.0974% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QG    LYS+  81  19.63 +/- 3.36   0.411% *  0.1451% (0.38   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  22.82 +/- 6.05   0.273% *  0.1606% (0.42   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+ 106  13.71 +/- 2.09   0.810% *  0.0448% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.30 +/- 2.69   0.815% *  0.0381% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.83 +/- 2.89   0.314% *  0.0738% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  20.63 +/- 2.78   0.311% *  0.0523% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.97 +/- 2.25   0.492% *  0.0319% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.50 +/- 2.76   0.484% *  0.0251% (0.06   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  24.55 +/- 2.71   0.158% *  0.0695% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  17.94 +/- 2.87   0.385% *  0.0115% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.644, residual support = 1.27:
          HN    GLU-  79 - QG    LYS+  81   6.01 +/- 0.91  57.760% * 93.0074% (0.65   0.65   1.28) =  99.476%  kept
          HN    THR   94 - QG    LYS+  81  12.95 +/- 1.53   7.338% *  1.1077% (0.25   0.02   0.02) =   0.151%  kept
          HN    VAL   70 - HG2   LYS+  33  13.35 +/- 2.43   8.543% *  0.8744% (0.20   0.02   0.02) =   0.138%  kept
          HN    THR   94 - HG2   LYS+ 106  10.52 +/- 1.82  15.799% *  0.2437% (0.05   0.02   0.02) =   0.071%
          HN    VAL   70 - QG    LYS+  81  20.95 +/- 1.89   1.526% *  1.8263% (0.41   0.02   0.02) =   0.052%
          HN    GLU-  79 - HG2   LYS+  33  21.59 +/- 4.26   1.730% *  1.3759% (0.31   0.02   0.02) =   0.044%
          HN    GLU-  79 - HG2   LYS+ 106  18.94 +/- 2.25   2.413% *  0.6323% (0.14   0.02   0.02) =   0.028%
          HN    VAL   70 - HG2   LYS+ 106  17.01 +/- 2.07   3.458% *  0.4018% (0.09   0.02   0.02) =   0.026%
          HN    THR   94 - HG2   LYS+  33  21.54 +/- 1.79   1.434% *  0.5304% (0.12   0.02   0.02) =   0.014%
    Distance limit 3.89 A violated in 14 structures by 2.07 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.75, residual support = 110.6:
      O   HN    LYS+  81 - QB    LYS+  81   2.26 +/- 0.20  82.350% * 99.1682% (0.38  10.0   5.75 110.64) =  99.992%  kept
          QD    PHE   55 - HB3   PRO   52   5.18 +/- 0.80   9.358% *  0.0263% (0.10   1.0   0.02   0.43) =   0.003%
          HE3   TRP   27 - QB    LYS+  81  15.97 +/- 5.67   0.496% *  0.2439% (0.92   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    LYS+  81  15.44 +/- 2.53   0.751% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  16.27 +/- 8.19   0.781% *  0.1086% (0.41   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   PRO   52   9.68 +/- 3.34   5.288% *  0.0136% (0.05   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    LYS+  81  20.16 +/- 3.45   0.199% *  0.2292% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    LYS+  81  20.94 +/- 2.48   0.122% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  22.17 +/- 3.13   0.106% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  21.49 +/- 4.55   0.229% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  22.84 +/- 4.65   0.159% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  19.46 +/- 3.01   0.162% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 5.36, residual support = 110.6:
      O   HN    LYS+  81 - HA    LYS+  81   2.75 +/- 0.05  97.855% * 99.8291% (0.87  10.0   5.36 110.64) =  99.999%  kept
          HE3   TRP   27 - HA    LYS+  81  16.43 +/- 6.12   1.001% *  0.0516% (0.45   1.0   0.02   0.02) =   0.001%
          QD    PHE   60 - HA    LYS+  81  16.96 +/- 3.25   0.570% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.89 +/- 3.38   0.322% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  21.74 +/- 3.04   0.252% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.613, support = 3.57, residual support = 24.1:
          HA    LEU   80 - QG    LYS+  81   4.62 +/- 0.59  37.701% * 58.4607% (0.38   5.08  39.52) =  60.470%  kept
          HA    ASP-  78 - QG    LYS+  81   4.75 +/- 1.50  37.281% * 38.2795% (0.98   1.27   0.48) =  39.154%  kept
          HA    THR   23 - QG    LYS+  81  15.29 +/- 8.31   6.214% *  1.9297% (0.76   0.08   0.02) =   0.329%  kept
          HB    THR   23 - QG    LYS+  81  16.59 +/- 7.83   3.226% *  0.1530% (0.25   0.02   0.02) =   0.014%
          HA    THR   23 - HG2   LYS+  33  13.95 +/- 1.50   1.356% *  0.2246% (0.37   0.02   0.02) =   0.008%
          HA    PHE   45 - QG    LYS+  81  10.74 +/- 1.31   2.590% *  0.0947% (0.15   0.02   0.02) =   0.007%
          HB    THR   23 - HG2   LYS+  33  13.64 +/- 1.77   1.691% *  0.0733% (0.12   0.02   0.02) =   0.003%
          HA    PHE   45 - HG2   LYS+ 106  12.50 +/- 2.45   4.791% *  0.0208% (0.03   0.02   0.02) =   0.003%
          HA    THR   23 - HG2   LYS+ 106  21.11 +/- 4.56   0.963% *  0.1032% (0.17   0.02   0.02) =   0.003%
          HA    ASP-  78 - HG2   LYS+  33  23.96 +/- 3.56   0.312% *  0.2880% (0.47   0.02   0.02) =   0.002%
          HA    LEU   80 - HG2   LYS+  33  20.84 +/- 6.50   0.746% *  0.1103% (0.18   0.02   0.02) =   0.002%
          HA    ASP-  78 - HG2   LYS+ 106  19.04 +/- 2.40   0.598% *  0.1324% (0.22   0.02   0.02) =   0.002%
          HB    THR   23 - HG2   LYS+ 106  22.17 +/- 5.12   1.417% *  0.0337% (0.05   0.02   0.02) =   0.001%
          HA    LEU   80 - HG2   LYS+ 106  18.94 +/- 3.06   0.589% *  0.0507% (0.08   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  19.72 +/- 2.72   0.523% *  0.0453% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.68, residual support = 34.7:
      O   HN    SER   82 - HB3   SER   82   2.57 +/- 0.56  99.416% * 99.5254% (0.41  10.0   3.68  34.68) =  99.999%  kept
          HN    GLY   16 - HB3   SER   82  27.48 +/- 9.00   0.432% *  0.2373% (0.98   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB3   SER   82  26.85 +/- 3.36   0.152% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.375, support = 3.3, residual support = 14.6:
      O   HN    TRP   49 - HA    SER   48   3.51 +/- 0.08  32.600% * 84.5849% (0.40  10.0   3.25  14.42) =  83.877%  kept
          HN    VAL   83 - HB2   SER   82   3.25 +/- 0.58  42.074% * 10.2809% (0.24   1.0   4.09  18.98) =  13.158%  kept
          HN    CYS   50 - HA    SER   48   4.84 +/- 1.35  21.313% *  4.5647% (0.36   1.0   1.20   0.02) =   2.959%  kept
          HE22  GLN   30 - HA    VAL   70  10.57 +/- 1.96   1.695% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB2   SER   82  18.97 +/- 2.65   0.260% *  0.1540% (0.72   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  19.44 +/- 7.35   0.474% *  0.0688% (0.32   1.0   0.02   0.02) =   0.001%
          HN    CYS   50 - HB2   SER   82  20.79 +/- 3.05   0.211% *  0.1385% (0.65   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  15.85 +/- 2.81   0.535% *  0.0276% (0.13   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  21.76 +/- 3.37   0.209% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  22.15 +/- 4.15   0.238% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  21.62 +/- 3.23   0.180% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  20.00 +/- 2.59   0.211% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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   2.96 +/- 0.47  92.593% * 99.0159% (0.39  10.0   4.29  34.68) =  99.991%  kept
          HN    GLY   16 - HB2   SER   82  27.41 +/- 9.04   1.124% *  0.2361% (0.93   1.0   0.02   0.02) =   0.003%
          HN    GLY   16 - HA    VAL   70  13.47 +/- 5.19   3.029% *  0.0820% (0.32   1.0   0.02   0.02) =   0.003%
          HN    SER  117 - HB2   SER   82  26.89 +/- 2.95   0.285% *  0.2361% (0.93   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    SER   48  16.44 +/- 3.31   1.128% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    VAL   70  18.46 +/- 3.46   0.712% *  0.0820% (0.32   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    SER   48  19.21 +/- 2.46   0.450% *  0.1296% (0.51   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HA    SER   48  25.97 +/- 7.09   0.332% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  21.93 +/- 2.29   0.348% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.436, support = 5.33, residual support = 41.1:
          HN    ALA   84 - HB    VAL   83   3.27 +/- 0.30  98.231% * 98.8119% (0.44   5.33  41.07) =  99.992%  kept
          HE21  GLN   32 - HB    VAL   83  21.80 +/- 7.43   0.796% *  0.6836% (0.80   0.02   0.02) =   0.006%
          HN    LYS+ 111 - HB    VAL   83  20.04 +/- 2.83   0.528% *  0.3710% (0.44   0.02   0.02) =   0.002%
          HN    ILE   56 - HB    VAL   83  20.91 +/- 2.37   0.444% *  0.1335% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.34 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 = 85.7:
      O   HN    VAL   83 - HB    VAL   83   2.16 +/- 0.33  99.228% * 99.8243% (0.65  10.0   4.77  85.70) =  99.999%  kept
          HN    CYS   50 - HB    VAL   83  17.30 +/- 2.81   0.333% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  15.67 +/- 2.35   0.439% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.896, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   8.03 +/- 0.84  58.627% * 31.7530% (0.96   0.02   0.02) =  67.735%  kept
          HD21  ASN   28 - HA    ALA   84  16.08 +/- 6.44  18.289% * 30.7120% (0.93   0.02   0.02) =  20.438%  kept
          QE    PHE   60 - HA    ALA   84  15.02 +/- 3.43  13.271% * 16.7431% (0.51   0.02   0.02) =   8.085%  kept
          HN    LEU   63 - HA    ALA   84  19.13 +/- 2.02   5.176% * 11.9438% (0.36   0.02   0.02) =   2.249%  kept
          HN    ILE   56 - HA    ALA   84  19.76 +/- 2.15   4.637% *  8.8482% (0.27   0.02   0.02) =   1.493%  kept
    Distance limit 3.58 A violated in 20 structures by 4.24 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.371, residual support = 0.695:
          QE    PHE   45 - HA    ALA   84   5.34 +/- 1.43  83.822% * 91.9064% (0.81   0.37   0.70) =  99.124%  kept
          QD    PHE   72 - HA    ALA   84  13.62 +/- 1.34   8.888% *  5.6757% (0.93   0.02   0.02) =   0.649%  kept
          HZ    PHE   72 - HA    ALA   84  15.65 +/- 2.02   7.291% *  2.4178% (0.40   0.02   0.02) =   0.227%  kept
    Distance limit 4.14 A violated in 8 structures by 1.34 A, kept.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.44, residual support = 12.5:
          HB    ILE   89 - HA    ALA   84   3.43 +/- 1.31  96.992% * 98.5334% (0.91   1.44  12.51) =  99.978%  kept
          QG1   ILE   56 - HA    ALA   84  16.50 +/- 1.80   2.151% *  0.6481% (0.43   0.02   0.02) =   0.015%
          HB3   LYS+  99 - HA    ALA   84  20.51 +/- 2.51   0.857% *  0.8184% (0.55   0.02   0.02) =   0.007%
    Distance limit 3.91 A violated in 2 structures by 0.37 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.752, support = 3.29, residual support = 29.8:
          QG2   VAL   83 - HA    ALA   84   3.22 +/- 0.51  62.177% * 47.2738% (0.66   3.53  41.07) =  60.703%  kept
          QD1   ILE   89 - HA    ALA   84   4.23 +/- 0.92  36.152% * 52.6289% (0.89   2.92  12.51) =  39.293%  kept
          QD2   LEU   31 - HA    ALA   84  13.92 +/- 4.57   1.671% *  0.0973% (0.24   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.88, residual support = 12.5:
          HG13  ILE   89 - HA    ALA   84   4.41 +/- 1.77 100.000% *100.0000% (0.55   2.88  12.51) = 100.000%  kept
    Distance limit 3.91 A violated in 8 structures by 1.11 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.76, support = 3.76, residual support = 28.8:
          QG2   VAL   83 - QB    ALA   84   3.74 +/- 0.56  59.970% * 44.4407% (0.66  1.00   3.90  41.07) =  56.990%  kept
          QD1   ILE   89 - QB    ALA   84   4.66 +/- 1.18  36.698% * 54.7326% (0.89  1.00   3.58  12.51) =  42.951%  kept
        T QD2   LEU   31 - QB    ALA   84  12.48 +/- 3.89   3.332% *  0.8268% (0.24 10.00   0.02   0.02) =   0.059%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.64, residual support = 12.5:
          HG13  ILE   89 - QB    ALA   84   4.94 +/- 1.26 100.000% *100.0000% (0.55   3.64  12.51) = 100.000%  kept
    Distance limit 3.84 A violated in 10 structures by 1.25 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.339, residual support = 0.7:
          QD    PHE   45 - QB    ALA   84   5.74 +/- 0.98  95.543% * 97.8775% (0.87   0.34   0.70) =  99.949%  kept
          HD2   HIS  122 - QB    ALA   84  20.11 +/- 1.87   2.586% *  1.1284% (0.17   0.02   0.02) =   0.031%
          HE22  GLN  116 - QB    ALA   84  22.00 +/- 2.49   1.871% *  0.9941% (0.15   0.02   0.02) =   0.020%
    Distance limit 4.06 A violated in 12 structures by 1.68 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.703, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  11.48 +/- 2.12  57.449% * 28.9138% (0.59   0.02   0.02) =  50.721%  kept
          HE22  GLN   30 - QB    ALA   84  16.78 +/- 3.68  26.124% * 46.0056% (0.93   0.02   0.02) =  36.698%  kept
          HD22  ASN   69 - QB    ALA   84  20.52 +/- 2.78  16.427% * 25.0806% (0.51   0.02   0.02) =  12.581%  kept
    Distance limit 4.28 A violated in 20 structures by 6.53 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   2.23 +/- 0.23  95.035% * 99.7822% (0.99  10.0   3.15  18.02) =  99.999%  kept
          HN    SER   85 - QB    SER   48  14.06 +/- 3.41   1.772% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  20.52 +/- 6.26   0.238% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  13.00 +/- 1.33   0.736% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.16 +/- 0.93   0.892% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  21.40 +/- 4.63   0.153% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  23.99 +/- 3.71   0.098% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.73 +/- 1.08   0.587% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  22.30 +/- 2.46   0.120% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  23.37 +/- 3.71   0.134% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  24.01 +/- 3.11   0.096% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.34 +/- 3.28   0.138% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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   3.01 +/- 0.18  88.485% * 97.6160% (0.87   3.33  13.44) =  99.984%  kept
          HN    GLU-  29 - QB    SER   85  19.92 +/- 6.88   0.623% *  0.6629% (0.98   0.02   0.02) =   0.005%
          HN    GLN   30 - QB    SER   85  19.78 +/- 6.21   0.578% *  0.5415% (0.80   0.02   0.02) =   0.004%
          HN    ASP-  86 - QB    SER   48  14.83 +/- 3.37   1.646% *  0.1430% (0.21   0.02   0.02) =   0.003%
          HN    GLU-  29 - QB    SER   48  22.67 +/- 4.47   0.312% *  0.1616% (0.24   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER   48  21.99 +/- 4.21   0.319% *  0.1320% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.25 +/- 5.45   0.253% *  0.1506% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  23.86 +/- 4.85   0.343% *  0.1023% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  24.56 +/- 7.03   0.376% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  22.35 +/- 4.33   0.376% *  0.0836% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.93 +/- 0.88   2.033% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.61 +/- 4.96   1.976% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.76 +/- 2.48   0.283% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  20.47 +/- 7.15   1.139% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  24.35 +/- 3.38   0.205% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  25.23 +/- 5.69   0.315% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  20.02 +/- 3.65   0.444% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  24.54 +/- 5.41   0.293% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.50 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   2.26 +/- 0.22  98.921% * 98.5738% (0.12  10.0   2.79  15.38) =  99.997%  kept
          HN    GLY   16 - QB    SER   85  26.83 +/- 7.26   0.265% *  0.4517% (0.57   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   85  23.37 +/- 2.49   0.135% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   48  18.30 +/- 2.63   0.313% *  0.1558% (0.20   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - QB    SER   48  24.05 +/- 6.84   0.160% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  22.06 +/- 4.73   0.206% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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   2.84 +/- 0.01  98.183% * 99.8725% (0.99  10.0   3.65  18.02) =  99.999%  kept
          HN    THR   94 - HA    SER   85  12.82 +/- 1.23   1.291% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  23.13 +/- 6.09   0.310% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  23.92 +/- 4.35   0.216% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.55, residual support = 42.5:
      O   HN    ASP-  86 - HB3   ASP-  86   3.16 +/- 0.49  94.478% * 99.6620% (0.95  10.0   3.55  42.50) =  99.996%  kept
          HN    GLN   30 - HB3   ASP-  86  18.36 +/- 7.15   1.428% *  0.1033% (0.98   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB3   ASP-  86  27.92 +/- 6.28   1.080% *  0.0724% (0.69   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   ASP-  86  18.97 +/- 7.57   1.223% *  0.0596% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   ASP-  86  15.94 +/- 4.40   1.308% *  0.0472% (0.45   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   ASP-  86  23.41 +/- 4.71   0.482% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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   2.33 +/- 0.20  98.220% * 99.2641% (0.49  10.0   5.02  42.50) =  99.998%  kept
          HN    LYS+  99 - HB2   ASP-  86  16.51 +/- 4.34   0.532% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   ASP-  86  18.24 +/- 6.96   0.471% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASP-  86  27.71 +/- 5.99   0.184% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  23.33 +/- 4.64   0.162% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  18.82 +/- 7.36   0.432% *  0.0315% (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 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.421, support = 3.62, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   2.90 +/- 0.40  82.090% * 36.7260% (0.38   3.60  22.70) =  79.864%  kept
          HE3   TRP   87 - HB2   ASP-  86   6.07 +/- 0.85  12.310% * 61.5240% (0.61   3.73  22.70) =  20.062%  kept
          HN    ALA   91 - HB2   ASP-  86  10.71 +/- 1.20   3.824% *  0.5143% (0.95   0.02   0.02) =   0.052%
          HN    TRP   27 - HB2   ASP-  86  17.09 +/- 7.24   1.091% *  0.5247% (0.97   0.02   0.02) =   0.015%
          HN    ALA   61 - HB2   ASP-  86  20.20 +/- 2.45   0.368% *  0.4876% (0.90   0.02   0.02) =   0.005%
          HN    THR   39 - HB2   ASP-  86  21.03 +/- 3.81   0.317% *  0.2235% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.01 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   2.21 +/- 0.35  93.893% * 95.5120% (0.22 10.00   2.25  10.80) =  99.841%  kept
          HB3   SER   82 - HB2   ASP-  86   6.57 +/- 0.82   4.733% *  2.9477% (0.41  1.00   0.33   0.02) =   0.155%  kept
          HA    GLN   30 - HB2   ASP-  86  19.69 +/- 6.45   0.227% *  0.4140% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   ASP-  86  19.43 +/- 2.76   0.200% *  0.3847% (0.90  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HB2   ASP-  86  21.24 +/- 2.96   0.149% *  0.3960% (0.92  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - HB2   ASP-  86  18.68 +/- 4.60   0.365% *  0.0849% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  20.55 +/- 3.36   0.185% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  23.74 +/- 2.90   0.100% *  0.1193% (0.28  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  25.79 +/- 4.81   0.149% *  0.0751% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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  97.889% * 99.2641% (0.49  10.0   4.16  42.50) =  99.997%  kept
          HN    LYS+  99 - HA    ASP-  86  17.77 +/- 4.03   0.526% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    ASP-  86  29.97 +/- 6.27   0.370% *  0.2039% (1.00   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  20.21 +/- 7.05   0.523% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASP-  86  25.34 +/- 4.69   0.177% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  20.62 +/- 7.62   0.515% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.55 +/- 0.13  90.285% * 98.5698% (0.99   3.53  74.42) =  99.955%  kept
          HN    ALA   91 - HA    TRP   87   9.55 +/- 1.31   6.344% *  0.4886% (0.87   0.02   0.02) =   0.035%
          HN    ALA   61 - HA    TRP   87  20.12 +/- 3.34   0.927% *  0.5199% (0.92   0.02   0.02) =   0.005%
          HN    TRP   27 - HA    TRP   87  19.39 +/- 5.29   0.902% *  0.2963% (0.53   0.02   5.60) =   0.003%
          HN    GLN   17 - HA    TRP   87  26.31 +/- 7.10   1.542% *  0.1254% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.15 A violated in 0 structures by 0.41 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  96.563% * 99.7445% (0.99  10.0   3.22  74.42) =  99.997%  kept
          HN    ALA   91 - HB2   TRP   87   8.87 +/- 1.31   2.361% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB2   TRP   87  18.26 +/- 3.15   0.313% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  18.55 +/- 4.58   0.300% *  0.0529% (0.53   1.0   0.02   5.60) =   0.000%
          HN    GLN   17 - HB2   TRP   87  24.94 +/- 6.68   0.463% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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   3.93 +/- 0.04  82.319% * 99.7445% (0.99  10.0   3.22  74.42) =  99.983%  kept
          HN    ALA   91 - HB3   TRP   87   7.59 +/- 1.00  13.298% *  0.0873% (0.87   1.0   0.02   0.02) =   0.014%
          HN    ALA   61 - HB3   TRP   87  17.96 +/- 2.75   1.100% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   TRP   87  18.28 +/- 4.83   1.258% *  0.0529% (0.53   1.0   0.02   5.60) =   0.001%
          HN    GLN   17 - HB3   TRP   87  24.87 +/- 6.82   2.025% *  0.0224% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.62 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.921, support = 2.18, residual support = 17.1:
          QD1   ILE   89 - HB2   TRP   87   3.81 +/- 0.81  67.014% * 59.2876% (0.90   2.40  17.05) =  76.380%  kept
          QG2   VAL   83 - HB2   TRP   87   5.48 +/- 0.57  30.453% * 40.3129% (1.00   1.47  17.35) =  23.600%  kept
          QD2   LEU   31 - HB2   TRP   87  13.45 +/- 4.23   2.534% *  0.3996% (0.73   0.02   1.70) =   0.019%
    Distance limit 3.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.443, support = 3.86, residual support = 17.1:
        T QD1   ILE   89 - HB3   TRP   87   2.94 +/- 0.83  59.504% * 95.1902% (0.45 10.00   3.90  17.05) =  97.776%  kept
          QG2   VAL   83 - HB3   TRP   87   4.56 +/- 0.66  27.169% *  4.7136% (0.22  1.00   1.99  17.35) =   2.211%  kept
          QG2   VAL   75 - HB3   TRP   87   8.15 +/- 2.55  12.183% *  0.0590% (0.28  1.00   0.02   0.02) =   0.012%
          QG2   VAL   42 - HB3   TRP   87  11.53 +/- 1.65   1.144% *  0.0372% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.24, support = 0.728, residual support = 16.5:
          HG12  ILE   89 - HB3   TRP   87   3.41 +/- 0.81  75.291% * 54.8868% (0.22   0.75  17.05) =  96.986%  kept
          QB    ALA   91 - HB3   TRP   87   7.71 +/- 1.38  12.187% *  5.7027% (0.87   0.02   0.02) =   1.631%  kept
          HG2   LYS+  74 - HB3   TRP   87  13.66 +/- 2.91   4.976% *  5.8960% (0.90   0.02   0.02) =   0.689%  kept
          HG13  ILE   19 - HB3   TRP   87  21.82 +/- 6.01   1.445% *  6.5596% (1.00   0.02   0.02) =   0.222%  kept
          QG2   THR   39 - HB3   TRP   87  17.46 +/- 2.31   0.968% *  5.7027% (0.87   0.02   0.02) =   0.130%  kept
          HG    LEU   71 - HB3   TRP   87  19.20 +/- 3.26   0.614% *  5.7027% (0.87   0.02   0.02) =   0.082%
          QG2   ILE   56 - HB3   TRP   87  15.52 +/- 2.30   1.168% *  2.7027% (0.41   0.02   0.02) =   0.074%
          HG3   LYS+  99 - HB3   TRP   87  19.96 +/- 2.99   0.490% *  6.0688% (0.92   0.02   0.02) =   0.070%
          QB    ALA   34 - HB3   TRP   87  15.83 +/- 2.73   1.454% *  1.6393% (0.25   0.02   0.02) =   0.056%
          HG3   LYS+  38 - HB3   TRP   87  24.69 +/- 3.31   0.338% *  3.9875% (0.61   0.02   0.02) =   0.032%
          HG3   LYS+ 111 - HB3   TRP   87  17.22 +/- 2.51   1.069% *  1.1513% (0.18   0.02   0.02) =   0.029%
    Distance limit 3.98 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.0:
      O   HN    ALA   88 - HA    ALA   88   2.23 +/- 0.03  99.378% * 99.0353% (0.38  10.0   1.63  12.01) =  99.999%  kept
          HN    LEU   31 - HA    ALA   88  21.76 +/- 5.16   0.161% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  22.03 +/- 3.21   0.143% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  22.51 +/- 3.23   0.134% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  21.13 +/- 3.42   0.183% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 2.06, residual support = 12.0:
      O   HN    ALA   88 - QB    ALA   88   2.89 +/- 0.12  97.234% * 99.2112% (0.38  10.0   2.06  12.01) =  99.995%  kept
          HN    PHE   55 - QB    ALA   88  18.37 +/- 3.25   0.673% *  0.2293% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ASP-  62 - QB    ALA   88  18.95 +/- 3.28   0.660% *  0.2117% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    ALA   88  18.67 +/- 3.92   0.512% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   88  17.74 +/- 3.44   0.920% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 216.4:
          QD1   ILE   89 - HA    ILE   89   3.19 +/- 0.70  86.534% * 99.6619% (0.92   5.98 216.48) =  99.964%  kept
          QG2   VAL   83 - HA    ILE   89   6.57 +/- 0.80  12.235% *  0.2481% (0.69   0.02   0.02) =   0.035%
          QD2   LEU   31 - HA    ILE   89  15.69 +/- 3.53   1.230% *  0.0901% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.38, residual support = 40.2:
      O   HN    GLN   90 - HA    ILE   89   2.71 +/- 0.54  95.384% * 99.8365% (0.99  10.0   6.38  40.19) =  99.998%  kept
          HN    SER   82 - HA    ILE   89  11.53 +/- 0.60   1.643% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA    ILE   89  17.18 +/- 3.12   0.705% *  0.0903% (0.90   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HA    ILE   89  11.59 +/- 2.43   2.268% *  0.0280% (0.28   1.0   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 216.5:
      O   HN    ILE   89 - HA    ILE   89   2.69 +/- 0.22  99.160% * 99.6601% (0.76  10.0   6.00 216.48) =  99.999%  kept
          HN    CYS   21 - HA    ILE   89  20.82 +/- 5.73   0.322% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  20.48 +/- 1.99   0.245% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  26.25 +/- 1.74   0.115% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  24.16 +/- 3.15   0.158% *  0.0258% (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 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.91, support = 2.38, residual support = 8.34:
          HN    ALA   91 - HA    ILE   89   3.86 +/- 0.77  65.947% * 78.2971% (0.95   2.48   7.72) =  93.282%  kept
          HD1   TRP   87 - HA    ILE   89   6.06 +/- 0.92  21.861% * 14.1022% (0.38   1.13  17.05) =   5.569%  kept
          HE3   TRP   87 - HA    ILE   89   7.76 +/- 0.73  10.264% *  6.0863% (0.61   0.30  17.05) =   1.129%  kept
          HN    ALA   61 - HA    ILE   89  18.13 +/- 3.15   0.926% *  0.5975% (0.90   0.02   0.02) =   0.010%
          HN    TRP   27 - HA    ILE   89  20.08 +/- 4.28   0.678% *  0.6430% (0.97   0.02   0.02) =   0.008%
          HN    THR   39 - HA    ILE   89  24.27 +/- 1.68   0.324% *  0.2739% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.00 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.738, support = 5.28, residual support = 215.2:
      O T QD1   ILE   89 - HB    ILE   89   2.63 +/- 0.38  57.565% * 97.6268% (0.74  10.0 10.00   5.31 216.48) =  99.402%  kept
          QG2   VAL   83 - HB    ILE   89   5.00 +/- 1.31  15.218% *  2.0601% (0.55   1.0  1.00   0.57   0.02) =   0.555%  kept
        T QD1   ILE   89 - HB    VAL   43   6.88 +/- 2.50   9.326% *  0.2132% (0.16   1.0 10.00   0.02   0.02) =   0.035%
        T QD2   LEU   31 - HB    VAL   43   8.96 +/- 3.21   3.807% *  0.0576% (0.04   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   83 - HB    VAL   43   6.39 +/- 2.99  13.460% *  0.0159% (0.12   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   31 - HB    ILE   89  14.35 +/- 3.74   0.624% *  0.0264% (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 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 216.5:
      O T HG13  ILE   89 - HB    ILE   89   2.61 +/- 0.30  96.710% * 99.7821% (0.78  10.0 10.00   4.97 216.48) =  99.993%  kept
        T HG13  ILE   89 - HB    VAL   43   9.39 +/- 2.71   3.290% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.007%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 216.5:
      O   HN    ILE   89 - HB    ILE   89   2.71 +/- 0.65  91.318% * 99.5645% (0.61  10.0   5.57 216.48) =  99.997%  kept
          HN    CYS   21 - HB    ILE   89  19.25 +/- 6.52   0.823% *  0.1168% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    VAL   43  10.36 +/- 1.75   3.229% *  0.0217% (0.13   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB    ILE   89  20.42 +/- 1.75   0.319% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    VAL   43  14.38 +/- 5.54   1.512% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.77 +/- 2.42   0.900% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  24.66 +/- 2.04   0.170% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.82 +/- 1.01   0.559% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  22.53 +/- 3.45   0.274% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  15.44 +/- 2.67   0.895% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.06 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  10.52 +/- 1.61 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.60 A violated in 20 structures by 6.93 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 0.853, residual support = 17.0:
          HD1   TRP   87 - QG2   ILE   89   4.38 +/- 0.19  92.350% * 93.0611% (0.95   0.85  17.05) =  99.871%  kept
          HN    LYS+ 102 - QG2   ILE   89  16.35 +/- 2.35   2.072% *  1.8454% (0.80   0.02   0.02) =   0.044%
          HN    TRP   27 - QG2   ILE   89  15.14 +/- 3.69   3.466% *  0.7861% (0.34   0.02   0.02) =   0.032%
          HN    THR   39 - QG2   ILE   89  18.86 +/- 1.23   1.204% *  2.1274% (0.92   0.02   0.02) =   0.030%
          HN    GLU-  36 - QG2   ILE   89  20.97 +/- 1.78   0.908% *  2.1800% (0.95   0.02   0.02) =   0.023%
    Distance limit 3.65 A violated in 0 structures by 0.73 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.25, residual support = 40.2:
          HN    GLN   90 - QG2   ILE   89   2.85 +/- 0.77  90.780% * 99.1893% (0.61   7.25  40.19) =  99.969%  kept
          HN    SER   82 - QG2   ILE   89   8.47 +/- 0.46   5.267% *  0.4164% (0.92   0.02   0.02) =   0.024%
          HN    ILE  103 - QG2   ILE   89  14.12 +/- 2.51   1.526% *  0.1854% (0.41   0.02   0.02) =   0.003%
          HN    GLY   16 - QG2   ILE   89  21.31 +/- 5.59   1.543% *  0.1392% (0.31   0.02   0.02) =   0.002%
          HN    SER  117 - QG2   ILE   89  15.68 +/- 1.27   0.884% *  0.0696% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 12.5:
        T HB2   PHE   45 - QG2   ILE   89   3.60 +/- 1.28  82.432% * 99.5807% (0.97 10.00   0.75  12.55) =  99.948%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.05 +/- 2.16  13.566% *  0.2745% (1.00  1.00   0.02   0.02) =   0.045%
          HB2   CYS   21 - QG2   ILE   89  15.76 +/- 5.38   4.002% *  0.1448% (0.53  1.00   0.02   0.02) =   0.007%
    Distance limit 4.05 A violated in 1 structures by 0.33 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.217, support = 5.26, residual support = 34.5:
          QG    GLN   90 - QG2   ILE   89   4.41 +/- 0.45  43.562% * 68.4427% (0.15   6.07  40.19) =  85.759%  kept
          HG2   MET   92 - QG2   ILE   89   6.14 +/- 2.09  27.773% * 12.5427% (0.73   0.24   0.02) =  10.020%  kept
          HB2   ASP-  44 - QG2   ILE   89   8.13 +/- 1.24  10.021% * 13.4339% (0.28   0.66   0.02) =   3.872%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.80 +/- 1.45   6.842% *  0.8272% (0.57   0.02   0.02) =   0.163%  kept
          QG    GLU- 114 - QG2   ILE   89  11.92 +/- 1.15   2.262% *  0.9452% (0.65   0.02   0.02) =   0.062%
          HG2   PRO   52 - QG2   ILE   89  11.97 +/- 3.15   3.894% *  0.3253% (0.22   0.02   0.02) =   0.036%
          QG    GLU-  15 - QG2   ILE   89  20.19 +/- 4.68   1.906% *  0.5483% (0.38   0.02   0.02) =   0.030%
          QB    MET   11 - QG2   ILE   89  23.45 +/- 4.12   0.700% *  1.2204% (0.84   0.02   0.02) =   0.025%
          HB3   PHE   72 - QG2   ILE   89  12.79 +/- 1.40   1.996% *  0.2891% (0.20   0.02   0.02) =   0.017%
          HG3   GLU-  36 - QG2   ILE   89  22.58 +/- 1.83   0.327% *  1.0609% (0.73   0.02   0.02) =   0.010%
          QG    GLU-  14 - QG2   ILE   89  19.96 +/- 3.92   0.715% *  0.3643% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.69 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.492, support = 1.17, residual support = 12.4:
        T HB3   PHE   45 - QG2   ILE   89   3.36 +/- 0.93  65.178% * 94.3480% (0.49 10.00   1.18  12.55) =  98.865%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.34 +/- 0.76  14.402% *  4.7014% (1.00  1.00   0.29   0.02) =   1.089%  kept
          QE    LYS+ 112 - QG2   ILE   89  11.26 +/- 3.40   7.650% *  0.1603% (0.49  1.00   0.02   0.02) =   0.020%
          HG3   MET   96 - QG2   ILE   89   9.07 +/- 1.97   6.376% *  0.1123% (0.34  1.00   0.02   4.56) =   0.012%
          HB3   ASP-  62 - QG2   ILE   89  14.81 +/- 2.73   2.386% *  0.2517% (0.76  1.00   0.02   0.02) =   0.010%
          HG2   GLU-  29 - QG2   ILE   89  19.78 +/- 3.51   0.635% *  0.3178% (0.97  1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - QG2   ILE   89  10.37 +/- 1.27   3.019% *  0.0508% (0.15  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  36 - QG2   ILE   89  22.51 +/- 1.93   0.355% *  0.0577% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.449, support = 2.98, residual support = 9.75:
          QB    ALA   84 - QG2   ILE   89   3.59 +/- 0.58  47.064% * 24.7824% (0.49   1.89  12.51) =  51.007%  kept
          QB    ALA   88 - QG2   ILE   89   5.18 +/- 0.48  19.564% * 43.3102% (0.31   5.20   9.09) =  37.056%  kept
          HB3   ASP-  44 - QG2   ILE   89   7.63 +/- 1.45  11.375% * 15.4790% (0.87   0.66   0.02) =   7.700%  kept
          HB3   PRO   93 - QG2   ILE   89   7.29 +/- 0.67   6.959% * 12.8470% (0.45   1.06   0.02) =   3.910%  kept
          HB3   LEU   80 - QG2   ILE   89   7.25 +/- 1.19   8.843% *  0.5348% (0.99   0.02   0.02) =   0.207%  kept
          HG2   LYS+ 111 - QG2   ILE   89  13.65 +/- 1.94   1.277% *  0.5208% (0.97   0.02   0.02) =   0.029%
          HB2   LEU   63 - QG2   ILE   89  13.70 +/- 2.18   1.253% *  0.5104% (0.95   0.02   0.02) =   0.028%
          HG    LEU   98 - QG2   ILE   89  12.52 +/- 2.45   1.749% *  0.3273% (0.61   0.02   0.02) =   0.025%
          HB2   LEU   31 - QG2   ILE   89  16.15 +/- 3.36   0.847% *  0.5348% (0.99   0.02   0.02) =   0.020%
          HG2   LYS+  99 - QG2   ILE   89  17.93 +/- 1.78   0.470% *  0.4124% (0.76   0.02   0.02) =   0.008%
          QB    ALA  124 - QG2   ILE   89  20.52 +/- 2.08   0.319% *  0.3918% (0.73   0.02   0.02) =   0.005%
          HG2   LYS+  38 - QG2   ILE   89  21.21 +/- 1.64   0.280% *  0.3491% (0.65   0.02   0.02) =   0.004%
    Distance limit 3.46 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.84, residual support = 216.5:
      O T HG13  ILE   89 - QG2   ILE   89   2.76 +/- 0.38 100.000% *100.0000% (0.98  10.0 10.00   5.84 216.48) = 100.000%  kept
    Distance limit 3.25 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 = 0.916, support = 6.28, residual support = 209.9:
        T QD1   ILE   89 - QG2   ILE   89   2.07 +/- 0.48  81.971% * 87.0369% (0.92 10.00   6.46 216.48) =  96.971%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.16 +/- 0.52  17.223% * 12.9396% (0.69 10.00   0.40   0.02) =   3.029%  kept
          QD2   LEU   31 - QG2   ILE   89  11.91 +/- 2.88   0.806% *  0.0235% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 5.6, residual support = 216.5:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.01  81.039% * 99.4549% (0.92  10.0 10.00   5.60 216.48) =  99.986%  kept
          QG2   VAL   83 - HG12  ILE   89   5.42 +/- 1.57  12.540% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.012%
        T QD1   ILE   89 - HG3   LYS+  99  16.76 +/- 2.63   0.207% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG3   LYS+  99  10.66 +/- 3.59   5.514% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG12  ILE   89  14.46 +/- 3.62   0.439% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  16.43 +/- 3.35   0.261% *  0.0300% (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 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.16, residual support = 216.5:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.933% * 99.5961% (0.98  10.0 10.00   5.16 216.48) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  21.19 +/- 3.03   0.067% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 5.21, residual support = 213.4:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.01  80.659% * 94.0826% (0.90  10.0 10.00   5.26 216.48) =  98.565%  kept
          QG2   VAL   83 - HG13  ILE   89   5.52 +/- 1.93  18.913% *  5.8412% (1.00   1.0  1.00   1.11   0.02) =   1.435%  kept
          QD2   LEU   31 - HG13  ILE   89  14.40 +/- 3.62   0.427% *  0.0762% (0.73   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 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.84, residual support = 216.5:
      O T QG2   ILE   89 - HG13  ILE   89   2.76 +/- 0.38  91.146% * 99.9734% (0.84  10.0 10.00   5.84 216.48) =  99.997%  kept
          QG1   VAL   83 - HG13  ILE   89   7.49 +/- 1.75   8.854% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 216.4:
      O T HB    ILE   89 - HG13  ILE   89   2.61 +/- 0.30  94.649% * 98.8208% (0.49  10.0 10.00   4.97 216.48) =  99.964%  kept
        T HB    VAL   43 - HG13  ILE   89   9.39 +/- 2.71   3.220% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.034%
          QD    LYS+  81 - HG13  ILE   89  10.88 +/- 1.41   1.596% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HG13  ILE   89  19.39 +/- 2.90   0.266% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  19.37 +/- 2.77   0.270% *  0.0313% (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 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 216.5:
          HN    ILE   89 - HG13  ILE   89   3.47 +/- 0.88  97.037% * 98.7794% (0.76   5.52 216.48) =  99.989%  kept
          HN    CYS   21 - HG13  ILE   89  19.45 +/- 5.92   1.221% *  0.4199% (0.90   0.02   0.02) =   0.005%
          HN    ILE  119 - HG13  ILE   89  19.86 +/- 2.06   0.865% *  0.4429% (0.95   0.02   0.02) =   0.004%
          HN    SER   37 - HG13  ILE   89  24.66 +/- 2.25   0.364% *  0.2651% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  22.62 +/- 3.35   0.512% *  0.0927% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.76, residual support = 216.5:
          HN    ILE   89 - HG12  ILE   89   2.91 +/- 0.60  88.025% * 98.2278% (0.76   5.76 216.48) =  99.986%  kept
          HN    SER   37 - HG3   LYS+  99  10.95 +/- 2.58   3.007% *  0.1024% (0.23   0.02   0.02) =   0.004%
          HN    CYS   21 - HG12  ILE   89  19.72 +/- 5.83   0.547% *  0.3999% (0.90   0.02   0.02) =   0.003%
          HN    LYS+  33 - HG3   LYS+  99  12.80 +/- 4.31   6.088% *  0.0358% (0.08   0.02   0.02) =   0.003%
          HN    ILE  119 - HG12  ILE   89  19.87 +/- 1.79   0.397% *  0.4218% (0.95   0.02   0.02) =   0.002%
          HN    ILE  119 - HG3   LYS+  99  18.27 +/- 4.19   0.693% *  0.1711% (0.38   0.02   0.02) =   0.001%
          HN    CYS   21 - HG3   LYS+  99  19.46 +/- 2.51   0.516% *  0.1622% (0.36   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE   89  24.69 +/- 2.24   0.195% *  0.2525% (0.57   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  99  22.03 +/- 2.38   0.270% *  0.1382% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  22.64 +/- 3.29   0.262% *  0.0883% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.26, residual support = 216.5:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.26 216.48) = 100.000%  kept
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.834, support = 6.45, residual support = 216.0:
        T QG2   ILE   89 - QD1   ILE   89   2.07 +/- 0.48  94.619% * 95.9390% (0.84 10.00   6.46 216.48) =  99.760%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.03 +/- 1.02   5.381% *  4.0610% (0.22 10.00   0.32   0.02) =   0.240%  kept
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.6, residual support = 216.5:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.01  95.892% * 99.2664% (1.00  10.0 10.00   5.60 216.48) =  99.997%  kept
        T HG3   LYS+  99 - QD1   ILE   89  16.76 +/- 2.63   0.246% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   89  10.28 +/- 1.55   1.241% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD1   ILE   89  12.80 +/- 2.25   0.616% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD1   ILE   89  15.60 +/- 3.33   0.432% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  15.14 +/- 3.05   0.565% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  13.50 +/- 2.95   0.663% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  17.60 +/- 4.30   0.345% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.3, residual support = 216.1:
      O T HB    ILE   89 - QD1   ILE   89   2.63 +/- 0.38  81.635% * 98.8208% (0.49  10.0 10.00   5.31 216.48) =  99.814%  kept
        T HB    VAL   43 - QD1   ILE   89   6.88 +/- 2.50  15.004% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.183%  kept
          QD    LYS+  81 - QD1   ILE   89   9.71 +/- 0.91   2.097% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QD1   ILE   89  15.22 +/- 2.57   0.636% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD1   ILE   89  15.18 +/- 2.52   0.628% *  0.0313% (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 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.527, support = 1.49, residual support = 4.55:
        T HB3   MET   96 - QD1   ILE   89   6.66 +/- 3.10  57.128% * 97.2478% (0.53 10.00   1.50   4.56) =  99.618%  kept
          HB2   LEU   40 - QD1   ILE   89  15.38 +/- 2.60   7.317% *  2.2434% (0.90  1.00   0.20   0.02) =   0.294%  kept
          HB3   ARG+  54 - QD1   ILE   89  15.51 +/- 1.74  10.217% *  0.2138% (0.87  1.00   0.02   0.02) =   0.039%
          HB    VAL   18 - QD1   ILE   89  17.79 +/- 5.38  10.132% *  0.1495% (0.61  1.00   0.02   0.02) =   0.027%
          HB2   LEU   67 - QD1   ILE   89  14.86 +/- 2.82  10.736% *  0.0841% (0.34  1.00   0.02   0.02) =   0.016%
          HB3   GLU-  14 - QD1   ILE   89  22.25 +/- 4.13   4.471% *  0.0615% (0.25  1.00   0.02   0.02) =   0.005%
    Distance limit 3.62 A violated in 13 structures by 2.99 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.763, support = 3.89, residual support = 17.0:
        T HB3   TRP   87 - QD1   ILE   89   2.94 +/- 0.83  89.136% * 98.3748% (0.76 10.00   3.90  17.05) =  99.835%  kept
          HG3   MET   96 - QD1   ILE   89   7.57 +/- 2.82   9.713% *  1.4819% (0.14  1.00   1.70   4.56) =   0.164%  kept
          HG3   GLN  116 - QD1   ILE   89  16.80 +/- 2.32   0.829% *  0.1075% (0.84  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QD1   ILE   89  21.71 +/- 2.15   0.322% *  0.0358% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.489, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  12.67 +/- 1.65  53.470% * 62.4025% (0.57   0.02   0.02) =  65.604%  kept
          HB    THR  118 - QD1   ILE   89  13.46 +/- 2.03  46.530% * 37.5975% (0.34   0.02   0.02) =  34.396%  kept
    Distance limit 2.98 A violated in 20 structures by 8.38 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.88, residual support = 12.5:
          QD    PHE   45 - QD1   ILE   89   3.17 +/- 1.50  90.100% * 96.5486% (0.45   2.89  12.55) =  99.910%  kept
          HE22  GLN   17 - QD1   ILE   89  20.77 +/- 5.33   6.989% *  0.5091% (0.34   0.02   0.02) =   0.041%
          HD2   HIS  122 - QD1   ILE   89  16.31 +/- 2.19   1.703% *  1.4793% (0.99   0.02   0.02) =   0.029%
          HE22  GLN  116 - QD1   ILE   89  18.26 +/- 2.17   1.208% *  1.4630% (0.98   0.02   0.02) =   0.020%
    Distance limit 3.90 A violated in 2 structures by 0.35 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.856, support = 2.31, residual support = 17.0:
          HN    TRP   87 - QD1   ILE   89   4.64 +/- 0.76  54.312% * 79.4033% (0.97   2.37  17.05) =  84.179%  kept
          HE3   TRP   87 - QD1   ILE   89   5.25 +/- 0.92  41.986% * 19.2450% (0.28   1.99  17.05) =  15.772%  kept
          HN    GLN   17 - QD1   ILE   89  20.17 +/- 4.82   2.127% *  0.6946% (1.00   0.02   0.02) =   0.029%
          HD21  ASN   69 - QD1   ILE   89  17.76 +/- 3.14   1.575% *  0.6571% (0.95   0.02   0.02) =   0.020%
    Distance limit 3.97 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 216.5:
          HN    ILE   89 - QD1   ILE   89   3.31 +/- 0.72  95.598% * 98.8550% (0.76   5.89 216.48) =  99.985%  kept
          HN    CYS   21 - QD1   ILE   89  15.61 +/- 4.62   1.674% *  0.3939% (0.90   0.02   0.02) =   0.007%
          HN    ILE  119 - QD1   ILE   89  15.42 +/- 1.91   1.336% *  0.4155% (0.95   0.02   0.02) =   0.006%
          HN    SER   37 - QD1   ILE   89  19.77 +/- 2.04   0.595% *  0.2487% (0.57   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE   89  18.17 +/- 2.69   0.797% *  0.0869% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 6.02, residual support = 94.9:
          HN    GLN   90 - QG    GLN   90   2.97 +/- 0.68  97.673% * 99.2723% (0.69   6.02  94.86) =  99.992%  kept
          HN    GLY  109 - QG    GLN   90  13.30 +/- 2.47   1.823% *  0.3296% (0.69   0.02   0.02) =   0.006%
          HN    ILE  103 - QG    GLN   90  18.97 +/- 2.73   0.504% *  0.3981% (0.83   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 94.9:
      O   HN    GLN   90 - HB3   GLN   90   3.15 +/- 0.53  95.766% * 99.8365% (0.83  10.0   5.59  94.86) =  99.998%  kept
          HN    SER   82 - HB3   GLN   90  11.64 +/- 1.64   2.346% *  0.0452% (0.37   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HB3   GLN   90  21.33 +/- 2.68   0.449% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  14.46 +/- 2.51   1.438% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 4.16, residual support = 56.7:
      O   HN    GLU-  79 - HB3   GLU-  79   2.77 +/- 0.55  86.631% * 94.8695% (0.16  10.0   4.17  56.73) =  99.881%  kept
          HN    THR   94 - HB2   GLN   90  11.27 +/- 0.71   1.693% *  3.8389% (0.55   1.0   0.24   0.02) =   0.079%
          HN    SER   85 - HB2   GLN   90   8.28 +/- 1.41   5.229% *  0.3603% (0.61   1.0   0.02   0.02) =   0.023%
          HN    SER   85 - HB3   GLU-  79  10.43 +/- 1.32   3.207% *  0.2608% (0.44   1.0   0.02   0.02) =   0.010%
          HN    THR   94 - HB3   GLU-  79  13.23 +/- 1.42   1.033% *  0.2344% (0.40   1.0   0.02   0.02) =   0.003%
          HN    GLU-  79 - HB2   GLN   90  12.38 +/- 1.60   1.312% *  0.1311% (0.22   1.0   0.02   0.02) =   0.002%
          HN    GLN   32 - HB3   GLU-  79  19.70 +/- 5.31   0.732% *  0.1281% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  26.34 +/- 4.81   0.164% *  0.1770% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 56.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.76 +/- 0.20  76.478% * 94.7127% (0.57  10.0 10.00   4.39  56.73) =  99.827%  kept
          HB    THR   77 - HB3   GLU-  79   7.96 +/- 0.70   3.690% *  2.6081% (0.46   1.0  1.00   0.67   0.02) =   0.133%  kept
        T HA    GLU-  79 - HB2   GLN   90  13.60 +/- 1.84   0.826% *  1.3087% (0.78   1.0 10.00   0.02   0.02) =   0.015%
          HA    SER   85 - HB2   GLN   90   7.14 +/- 1.31   6.867% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.010%
          HB    THR   77 - HB2   GLN   90   8.85 +/- 2.70   4.997% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.007%
          HA1   GLY   51 - HB3   GLU-  79  19.18 +/- 5.10   1.986% *  0.0838% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HB3   GLU-  79  12.90 +/- 1.28   0.988% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.59 +/- 1.21   0.936% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  14.11 +/- 1.12   0.627% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLN   90  17.89 +/- 3.56   0.438% *  0.1158% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HB3   GLU-  79  27.50 +/- 6.96   0.570% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   GLU-  79  20.14 +/- 3.17   0.394% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  21.13 +/- 2.29   0.199% *  0.1197% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  21.27 +/- 4.61   0.304% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  18.99 +/- 4.15   0.353% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.48 +/- 2.48   0.199% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.82 +/- 1.92   0.080% *  0.1263% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.87 +/- 5.92   0.067% *  0.0917% (0.55   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 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.621, support = 0.755, residual support = 0.716:
          QB    ALA   88 - QG    GLN   90   5.04 +/- 1.22  59.131% * 93.1669% (0.62   0.77   0.73) =  97.683%  kept
          QG2   THR   77 - QG    GLN   90   6.31 +/- 1.39  36.311% *  3.4419% (0.88   0.02   0.02) =   2.216%  kept
          QG2   THR   23 - QG    GLN   90  16.98 +/- 4.37   3.518% *  1.3179% (0.34   0.02   0.02) =   0.082%
          HG2   LYS+  38 - QG    GLN   90  26.99 +/- 1.86   0.454% *  1.1978% (0.31   0.02   0.02) =   0.010%
          HG2   LYS+  99 - QG    GLN   90  23.72 +/- 1.86   0.586% *  0.8756% (0.22   0.02   0.02) =   0.009%
    Distance limit 3.53 A violated in 7 structures by 1.07 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.646, support = 0.02, residual support = 0.02:
          HD3   LYS+  74 - QG    GLN   90  14.88 +/- 2.51  13.357% * 17.3194% (0.89   0.02   0.02) =  30.811%  kept
          QG    LYS+  81 - QG    GLN   90   7.44 +/- 2.51  48.885% *  3.4351% (0.18   0.02   0.02) =  22.366%  kept
          HB3   LYS+ 111 - QG    GLN   90  17.33 +/- 2.19   7.401% * 17.3580% (0.90   0.02   0.02) =  17.111%  kept
          HG    LEU  104 - QG    GLN   90  20.91 +/- 2.38   3.935% * 17.0143% (0.88   0.02   0.02) =   8.917%  kept
          QD    LYS+  66 - QG    GLN   90  20.48 +/- 3.38   4.229% *  9.8273% (0.51   0.02   0.02) =   5.536%  kept
          HB3   LYS+ 121 - QG    GLN   90  23.83 +/- 1.84   2.245% * 17.0143% (0.88   0.02   0.02) =   5.088%  kept
          HG2   LYS+ 106 - QG    GLN   90  15.81 +/- 2.28  10.491% *  2.6782% (0.14   0.02   0.02) =   3.742%  kept
          HG2   LYS+  33 - QG    GLN   90  24.30 +/- 3.26   3.257% *  8.4490% (0.44   0.02   0.02) =   3.665%  kept
          HG2   LYS+  65 - QG    GLN   90  21.16 +/- 4.81   3.881% *  3.0399% (0.16   0.02   0.02) =   1.572%  kept
          HD2   LYS+ 121 - QG    GLN   90  23.78 +/- 1.96   2.317% *  3.8645% (0.20   0.02   0.02) =   1.193%  kept
    Distance limit 3.78 A violated in 15 structures by 3.32 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.727, support = 2.92, residual support = 62.1:
      O   HG3   MET   92 - HB2   MET   92   2.82 +/- 0.20  88.662% * 77.3512% (0.73  10.0  1.00   2.96  63.17) =  98.318%  kept
        T QG    GLN   90 - HB2   MET   92   8.16 +/- 1.41   5.631% * 20.7075% (0.80   1.0 10.00   0.49   0.17) =   1.672%  kept
        T QG    GLU-  15 - HB2   MET   92  26.93 +/- 5.63   0.348% *  0.5185% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP- 105 - HB2   MET   92  16.99 +/- 1.04   0.446% *  0.3634% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB2   MET   92  11.82 +/- 1.95   2.403% *  0.0646% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  27.03 +/- 4.48   0.158% *  0.6891% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB2   MET   92  16.98 +/- 2.55   0.516% *  0.1063% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  18.41 +/- 1.98   0.441% *  0.0774% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.50 +/- 4.10   0.241% *  0.0890% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  14.34 +/- 2.12   0.987% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  26.29 +/- 2.55   0.168% *  0.0144% (0.14   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 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 63.2:
      O   HN    MET   92 - HB2   MET   92   2.65 +/- 0.53  93.088% * 99.7272% (0.92  10.0   3.94  63.17) =  99.994%  kept
          HN    THR   46 - HB2   MET   92   8.78 +/- 1.33   4.302% *  0.1078% (1.00   1.0   0.02   0.02) =   0.005%
          HN    LYS+  74 - HB2   MET   92  16.60 +/- 2.00   0.687% *  0.0865% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB2   MET   92  12.06 +/- 3.13   1.841% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   MET   92  34.64 +/- 5.92   0.082% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 63.2:
      O T HA    MET   92 - HB2   MET   92   2.73 +/- 0.31  99.280% * 99.8006% (0.61  10.0 10.00   3.87  63.17) =  99.999%  kept
          HA    VAL   41 - HB2   MET   92  19.26 +/- 2.72   0.499% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  23.40 +/- 2.44   0.221% *  0.1318% (0.80   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 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.725, support = 3.29, residual support = 63.1:
      O   HG3   MET   92 - HB3   MET   92   2.54 +/- 0.26  91.271% * 95.2442% (0.73  10.0   3.29  63.17) =  99.856%  kept
          QG    GLN   90 - HB3   MET   92   9.01 +/- 1.11   2.792% *  2.5454% (0.80   1.0   0.48   0.17) =   0.082%
          HB2   ASP-  44 - HB3   MET   92  10.86 +/- 2.06   3.173% *  1.6406% (0.61   1.0   0.41   0.02) =   0.060%
          HG12  ILE  119 - HB3   MET   92  15.62 +/- 2.51   0.622% *  0.1309% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  17.57 +/- 2.17   0.381% *  0.0952% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  16.04 +/- 1.19   0.415% *  0.0447% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  14.15 +/- 2.01   0.750% *  0.0230% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  26.10 +/- 3.74   0.152% *  0.1096% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  26.17 +/- 5.26   0.195% *  0.0638% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.31 +/- 4.26   0.134% *  0.0849% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  25.72 +/- 2.31   0.115% *  0.0178% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 63.2:
      O T HA    MET   92 - HB3   MET   92   2.68 +/- 0.17  99.044% * 99.8006% (0.61  10.0 10.00   4.22  63.17) =  99.999%  kept
          HA    VAL   41 - HB3   MET   92  18.62 +/- 2.54   0.739% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   MET   92  22.13 +/- 2.36   0.217% *  0.1318% (0.80   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 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 63.2:
      O T HA    MET   92 - HG2   MET   92   3.22 +/- 0.47  98.491% * 99.8006% (0.61  10.0 10.00   2.49  63.17) =  99.999%  kept
          HA    VAL   41 - HG2   MET   92  19.24 +/- 2.58   1.185% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG2   MET   92  23.15 +/- 2.36   0.324% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.337, support = 0.612, residual support = 3.82:
          HB2   SER   37 - QG2   THR   39   2.47 +/- 0.74  82.721% * 43.7375% (0.30   0.65   4.44) =  85.991%  kept
          HA1   GLY   16 - QG2   THR   39  11.76 +/- 6.71  12.147% * 47.9133% (0.60   0.36   0.02) =  13.833%  kept
          HA    LYS+  66 - QG2   THR   39  12.30 +/- 2.79   1.853% *  2.0603% (0.46   0.02   0.02) =   0.091%
          HA1   GLY   16 - QG2   THR   23  15.30 +/- 2.54   0.714% *  1.5094% (0.33   0.02   0.02) =   0.026%
          HA    LYS+  66 - QG2   THR   23  17.05 +/- 3.83   0.682% *  1.1561% (0.26   0.02   0.02) =   0.019%
          HA    LYS+  66 - QB    ALA   91  18.81 +/- 3.48   0.568% *  0.9729% (0.22   0.02   0.02) =   0.013%
          HA1   GLY   16 - QB    ALA   91  24.61 +/- 5.34   0.406% *  1.2702% (0.28   0.02   0.02) =   0.012%
          HB2   SER   37 - QG2   THR   23  16.22 +/- 2.34   0.686% *  0.7496% (0.17   0.02   0.02) =   0.012%
          HB2   SER   37 - QB    ALA   91  23.09 +/- 1.51   0.223% *  0.6308% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.47 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.3, residual support = 63.2:
      O   HN    MET   92 - HB3   MET   92   3.54 +/- 0.23  87.316% * 99.8535% (0.92  10.0   4.30  63.17) =  99.991%  kept
          HN    THR   46 - HB3   MET   92   8.35 +/- 1.09   8.089% *  0.0827% (0.76   1.0   0.02   0.02) =   0.008%
          HN    ASP- 113 - HB3   MET   92  12.63 +/- 3.09   3.311% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB3   MET   92  15.94 +/- 2.16   1.284% *  0.0369% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.09 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 = 0.723, support = 0.02, residual support = 0.0318:
          HA    THR   46 - HB3   MET   92   7.06 +/- 1.54  44.757% * 16.4223% (0.80   0.02   0.02) =  64.309%  kept
          HA    VAL   42 - HB3   MET   92  15.15 +/- 2.15   9.840% * 18.3930% (0.90   0.02   0.02) =  15.835%  kept
          HA    GLN   90 - HB3   MET   92   8.83 +/- 0.47  25.151% *  3.5917% (0.18   0.02   0.17) =   7.904%  kept
          HA    PHE   55 - HB3   MET   92  14.96 +/- 3.80   7.259% *  6.3300% (0.31   0.02   0.02) =   4.021%  kept
          HA    PRO   58 - HB3   MET   92  16.96 +/- 3.86   6.936% *  5.1139% (0.25   0.02   0.02) =   3.104%  kept
          HA    GLN   17 - HB3   MET   92  25.32 +/- 6.05   1.451% * 17.7900% (0.87   0.02   0.02) =   2.259%  kept
          HA    SER   37 - HB3   MET   92  29.48 +/- 2.45   0.706% * 17.7900% (0.87   0.02   0.02) =   1.099%  kept
          HA    LEU   40 - HB3   MET   92  21.60 +/- 2.44   2.142% *  3.1644% (0.15   0.02   0.02) =   0.593%  kept
          HA    GLU-  15 - HB3   MET   92  27.93 +/- 5.33   1.102% *  5.7022% (0.28   0.02   0.02) =   0.550%  kept
          HA    SER   13 - HB3   MET   92  30.75 +/- 3.92   0.655% *  5.7022% (0.28   0.02   0.02) =   0.327%  kept
    Distance limit 4.27 A violated in 17 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 63.2:
      O T HA    MET   92 - HG3   MET   92   3.36 +/- 0.83  97.630% * 99.9198% (0.99  10.0 10.00   3.97  63.17) =  99.999%  kept
          HA    LYS+  74 - HG3   MET   92  15.10 +/- 1.98   1.866% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG3   MET   92  22.85 +/- 2.54   0.504% *  0.0311% (0.31   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 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 63.1:
          HN    MET   92 - HG3   MET   92   3.66 +/- 0.61  86.656% * 99.2793% (0.92   4.04  63.17) =  99.955%  kept
          HN    THR   46 - HG3   MET   92   9.01 +/- 1.50   7.589% *  0.4066% (0.76   0.02   0.02) =   0.036%
          HN    ASP- 113 - HG3   MET   92  13.17 +/- 3.51   4.664% *  0.1327% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  74 - HG3   MET   92  16.64 +/- 2.63   1.091% *  0.1815% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.409, support = 0.447, residual support = 0.42:
          QD    PHE   45 - HB2   PRO   93   6.47 +/- 1.09  63.076% * 97.8975% (0.41   0.45   0.42) =  99.408%  kept
          HN    LYS+  65 - HB2   PRO   93  13.16 +/- 4.00  20.007% *  1.6355% (0.15   0.02   0.02) =   0.527%  kept
          QD    PHE   45 - HG3   GLN   30  14.74 +/- 3.60   8.873% *  0.3396% (0.03   0.02   0.02) =   0.049%
          HN    LYS+  65 - HG3   GLN   30  14.73 +/- 3.19   8.044% *  0.1274% (0.01   0.02   0.02) =   0.017%
    Distance limit 4.37 A violated in 13 structures by 1.86 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.38, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.94 +/- 0.26  86.752% * 99.8806% (1.00  10.0   4.38  15.61) =  99.993%  kept
          HN    GLU-  79 - HB2   PRO   93  12.21 +/- 2.64   7.399% *  0.0727% (0.73   1.0   0.02   0.02) =   0.006%
          HN    SER   85 - HB2   PRO   93  14.64 +/- 1.87   2.026% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG3   GLN   30  18.25 +/- 5.80   1.688% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.29 +/- 2.91   1.101% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  21.22 +/- 6.46   1.033% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.379, support = 0.02, residual support = 0.372:
          QD    PHE   45 - HG2   PRO   93   7.99 +/- 0.92  72.402% * 72.7108% (0.41   0.02   0.42) =  87.484%  kept
          HN    LYS+  65 - HG2   PRO   93  14.73 +/- 4.23  27.598% * 27.2892% (0.15   0.02   0.02) =  12.516%  kept
    Distance limit 4.21 A violated in 19 structures by 3.42 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.3:
      O   HB2   PRO   93 - HG3   PRO   93   2.40 +/- 0.22  92.890% * 98.6893% (0.84  10.0  1.00   5.30 132.34) =  99.991%  kept
          HB    ILE  119 - HG3   PRO   93  15.10 +/- 3.41   3.155% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HG3   PRO   93  11.89 +/- 4.01   1.948% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  108 - HG3   PRO   93  11.74 +/- 2.14   1.158% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   PRO   93  21.84 +/- 3.39   0.161% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   PRO   93  21.41 +/- 2.92   0.163% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.06 +/- 2.74   0.108% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  20.63 +/- 4.34   0.320% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  32.29 +/- 5.77   0.097% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.3:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  88.327% * 96.9677% (0.99  10.0 10.00   3.97 132.34) =  99.976%  kept
        T QB    LYS+  65 - HG3   PRO   93  13.73 +/- 4.82   1.833% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.016%
          HB3   PRO   52 - HG3   PRO   93   9.84 +/- 5.58   7.767% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HG3   PRO   93  15.42 +/- 4.28   1.015% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   PRO   93  20.89 +/- 2.53   0.104% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   PRO   93  18.46 +/- 2.46   0.111% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HG3   PRO   93  19.56 +/- 4.25   0.183% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG3   PRO   93  17.50 +/- 2.86   0.507% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  19.75 +/- 3.35   0.097% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  23.68 +/- 4.90   0.054% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.92, residual support = 128.4:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  78.303% * 75.0577% (0.95  10.0 10.00   3.97 132.34) =  96.980%  kept
          HB3   MET   92 - HG2   PRO   93   4.18 +/- 0.38   6.157% * 16.1832% (0.92   1.0  1.00   4.42   1.94) =   1.644%  kept
        T HD2   LYS+ 111 - HG2   PRO   93  10.52 +/- 5.13  11.270% *  7.3500% (0.98   1.0 10.00   0.19   0.02) =   1.367%  kept
        T QD    LYS+  65 - HG2   PRO   93  14.80 +/- 5.35   1.899% *  0.1767% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HG2   PRO   93  12.43 +/- 2.36   1.593% *  0.0481% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   PRO   93  21.10 +/- 2.81   0.104% *  0.6353% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   PRO   93  15.31 +/- 3.57   0.232% *  0.0635% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  24.83 +/- 2.29   0.032% *  0.3262% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.92 +/- 3.68   0.130% *  0.0766% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.39 +/- 2.04   0.066% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.65 +/- 1.63   0.123% *  0.0221% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  17.46 +/- 1.85   0.090% *  0.0157% (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 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.64 +/- 0.28  67.237% * 99.5358% (0.97  10.0   3.97 132.34) =  99.954%  kept
          QB    PHE   55 - HG3   PRO   93   9.95 +/- 4.73  13.779% *  0.1029% (1.00   1.0   0.02   0.02) =   0.021%
          HB3   CYS   53 - HG3   PRO   93   8.68 +/- 3.92  15.011% *  0.0861% (0.84   1.0   0.02   0.02) =   0.019%
          HB2   PHE   59 - HG3   PRO   93  12.14 +/- 3.15   2.489% *  0.0952% (0.92   1.0   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG3   PRO   93  13.26 +/- 3.94   0.949% *  0.0788% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   PRO   93  18.57 +/- 4.81   0.535% *  0.1011% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.3:
      O   HD2   PRO   93 - HG3   PRO   93   2.53 +/- 0.28  97.694% * 99.4436% (0.25  10.0   3.97 132.34) =  99.992%  kept
          HA    THR   77 - HG3   PRO   93  11.47 +/- 2.50   1.869% *  0.3681% (0.92   1.0   0.02   0.02) =   0.007%
          HB2   TRP   27 - HG3   PRO   93  19.63 +/- 2.69   0.262% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.32 +/- 2.84   0.175% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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  14.75 +/- 4.21 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.26 A violated in 19 structures by 10.50 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.638, support = 0.02, residual support = 0.204:
          HN    ALA  110 - HD2   PRO   93   9.30 +/- 3.39  38.490% * 45.6992% (0.71   0.02   0.02) =  50.081%  kept
          HN    PHE   45 - HD2   PRO   93   7.96 +/- 0.69  41.223% * 38.9422% (0.61   0.02   0.42) =  45.706%  kept
          HN    ASP-  44 - HD2   PRO   93  11.41 +/- 1.61  18.167% *  7.1936% (0.11   0.02   0.02) =   3.721%  kept
          HN    GLU-  25 - HD2   PRO   93  22.78 +/- 3.12   2.120% *  8.1650% (0.13   0.02   0.02) =   0.493%  kept
    Distance limit 4.31 A violated in 16 structures by 2.42 A, eliminated.
    Peak unassigned.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.486, support = 0.105, residual support = 0.02:
          HA    TRP   49 - HD2   PRO   93  11.65 +/- 3.00  14.620% * 63.8972% (0.50   0.16   0.02) =  62.132%  kept
          HA1   GLY  109 - HD2   PRO   93   9.90 +/- 3.51  29.887% *  6.2211% (0.38   0.02   0.02) =  12.367%  kept
          HA    CYS   50 - HD2   PRO   93   9.73 +/- 3.49  32.016% *  5.7556% (0.35   0.02   0.02) =  12.256%  kept
          HA    LYS+ 102 - HD2   PRO   93  21.97 +/- 2.78   9.362% * 11.7983% (0.72   0.02   0.02) =   7.347%  kept
          HA    CYS   21 - HD2   PRO   93  20.98 +/- 4.36   7.263% * 10.2569% (0.63   0.02   0.02) =   4.955%  kept
          HA    ALA   20 - HD2   PRO   93  20.15 +/- 4.53   6.852% *  2.0708% (0.13   0.02   0.02) =   0.944%  kept
    Distance limit 4.27 A violated in 12 structures by 2.77 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.615, support = 0.02, residual support = 0.02:
          QB    ALA  110 - HD2   PRO   93   7.89 +/- 3.18  30.877% * 11.6320% (0.69   0.02   0.02) =  41.425%  kept
          QB    ALA   61 - HD2   PRO   93  12.54 +/- 3.44  12.441% * 12.2692% (0.72   0.02   0.02) =  17.605%  kept
          QG    LYS+  66 - HD2   PRO   93  16.64 +/- 4.07   7.109% *  9.8463% (0.58   0.02   0.02) =   8.074%  kept
          HG    LEU   80 - HD2   PRO   93  16.23 +/- 2.50   5.758% * 11.8670% (0.70   0.02   0.02) =   7.881%  kept
          HG    LEU   73 - HD2   PRO   93  16.29 +/- 2.94   5.947% *  7.4582% (0.44   0.02   0.02) =   5.115%  kept
          HB3   LEU   67 - HD2   PRO   93  18.81 +/- 3.68   3.471% * 11.6320% (0.69   0.02   0.02) =   4.657%  kept
          HB2   LEU   80 - HD2   PRO   93  15.26 +/- 2.05   5.369% *  5.9854% (0.35   0.02   0.02) =   3.707%  kept
          HB3   LEU  115 - HD2   PRO   93  11.23 +/- 2.21  14.089% *  2.1535% (0.13   0.02   0.02) =   3.499%  kept
          HG2   LYS+ 102 - HD2   PRO   93  24.25 +/- 3.02   3.241% *  5.9854% (0.35   0.02   0.02) =   2.238%  kept
          HG12  ILE   19 - HD2   PRO   93  22.45 +/- 4.52   1.655% * 11.0279% (0.65   0.02   0.02) =   2.105%  kept
          HB3   LYS+  74 - HD2   PRO   93  15.13 +/- 2.00   4.235% *  3.7953% (0.22   0.02   0.02) =   1.854%  kept
          HG    LEU   40 - HD2   PRO   93  19.28 +/- 2.23   4.117% *  2.1535% (0.13   0.02   0.02) =   1.023%  kept
          HD3   LYS+ 121 - HD2   PRO   93  20.39 +/- 1.92   1.692% *  4.1944% (0.25   0.02   0.02) =   0.818%  kept
    Distance limit 3.85 A violated in 17 structures by 2.56 A, eliminated.
    Peak unassigned.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.0966, support = 2.98, residual support = 18.4:
          HB3   LEU   67 - HD3   PRO   68   3.93 +/- 0.97  33.125% * 56.1499% (0.08   3.39  21.73) =  84.631%  kept
          QG    LYS+  66 - HD3   PRO   68   5.18 +/- 1.69  24.936% * 10.0177% (0.05   0.95   0.02) =  11.366%  kept
          QB    ALA  110 - HD3   PRO   93   7.67 +/- 3.46  14.080% *  3.3177% (0.78   0.02   0.02) =   2.126%  kept
          QB    ALA   61 - HD3   PRO   93  12.36 +/- 3.14   8.550% *  2.4743% (0.58   0.02   0.02) =   0.963%  kept
          QB    LEU   98 - HD3   PRO   93  16.15 +/- 2.50   1.370% *  2.0123% (0.47   0.02   0.02) =   0.125%  kept
          HB2   LEU   80 - HD3   PRO   93  15.49 +/- 1.79   0.700% *  3.6181% (0.85   0.02   0.02) =   0.115%  kept
          HG    LEU   80 - HD3   PRO   93  16.45 +/- 2.34   0.758% *  3.1947% (0.75   0.02   0.02) =   0.110%  kept
          HB3   LYS+  74 - HD3   PRO   93  15.16 +/- 1.94   0.746% *  3.0626% (0.72   0.02   0.02) =   0.104%  kept
          QB    ALA   61 - HD3   PRO   68   9.94 +/- 1.57   2.788% *  0.4403% (0.10   0.02   0.02) =   0.056%
          HB3   LYS+  74 - HD3   PRO   68  12.43 +/- 3.40   2.169% *  0.5451% (0.13   0.02   0.02) =   0.054%
          HD3   LYS+ 121 - HD3   PRO   68  16.88 +/- 5.15   1.763% *  0.5686% (0.13   0.02   0.02) =   0.046%
          HG12  ILE   19 - HD3   PRO   68  14.75 +/- 4.74   1.527% *  0.6284% (0.15   0.02   0.02) =   0.044%
          HG12  ILE   19 - HD3   PRO   93  22.48 +/- 4.57   0.269% *  3.5307% (0.83   0.02   0.02) =   0.043%
          HD3   LYS+ 121 - HD3   PRO   93  20.19 +/- 1.49   0.286% *  3.1947% (0.75   0.02   0.02) =   0.042%
          QG    LYS+  66 - HD3   PRO   93  16.41 +/- 4.16   0.751% *  1.1805% (0.28   0.02   0.02) =   0.040%
          HB3   LEU   67 - HD3   PRO   93  18.60 +/- 3.83   0.443% *  1.8617% (0.44   0.02   0.02) =   0.038%
          QB    LEU   98 - HD3   PRO   68  13.26 +/- 2.38   1.320% *  0.3581% (0.08   0.02   0.02) =   0.022%
          HG    LEU   73 - HD3   PRO   93  16.28 +/- 3.02   0.699% *  0.6698% (0.16   0.02   0.02) =   0.021%
          QB    ALA  110 - HD3   PRO   68  18.74 +/- 2.59   0.472% *  0.5905% (0.14   0.02   0.02) =   0.013%
          HB2   LEU   80 - HD3   PRO   68  19.71 +/- 3.04   0.335% *  0.6439% (0.15   0.02   0.02) =   0.010%
          HG    LEU   80 - HD3   PRO   68  19.85 +/- 3.11   0.324% *  0.5686% (0.13   0.02   0.02) =   0.008%
          QB    ALA   12 - HD3   PRO   93  25.99 +/- 3.84   0.172% *  1.0634% (0.25   0.02   0.02) =   0.008%
          QB    ALA   12 - HD3   PRO   68  15.80 +/- 4.29   0.943% *  0.1893% (0.04   0.02   0.02) =   0.008%
          HG    LEU   73 - HD3   PRO   68  13.29 +/- 2.31   1.476% *  0.1192% (0.03   0.02   0.02) =   0.008%
    Distance limit 3.82 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.28:
          QG2   ILE   89 - HB    THR   94   4.59 +/- 1.57 100.000% *100.0000% (0.28   2.00   5.28) = 100.000%  kept
    Distance limit 3.38 A violated in 8 structures by 1.31 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.762, support = 1.92, residual support = 5.03:
          QD1   ILE   89 - HB    THR   94   4.23 +/- 2.18  72.349% * 86.7805% (0.77   2.00   5.28) =  95.211%  kept
          QG2   VAL   83 - HB    THR   94   7.59 +/- 1.56  24.258% * 12.9851% (0.57   0.40   0.02) =   4.777%  kept
          QD2   LEU   31 - HB    THR   94  13.69 +/- 2.55   3.394% *  0.2344% (0.21   0.02   0.02) =   0.012%
    Distance limit 3.72 A violated in 5 structures by 0.66 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.1:
        T HB2   PHE   45 - HB    THR   94   3.30 +/- 0.54  94.246% * 99.8423% (0.81 10.00   2.96  27.09) =  99.994%  kept
          QE    LYS+ 111 - HB    THR   94  11.58 +/- 2.28   4.810% *  0.1032% (0.83  1.00   0.02   0.02) =   0.005%
          HB2   CYS   21 - HB    THR   94  18.30 +/- 4.28   0.943% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.06 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  12.75 +/- 2.36 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.03 A violated in 20 structures by 9.72 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 = 25.4:
      O   HN    THR   94 - HB    THR   94   2.68 +/- 0.21  97.401% * 99.8964% (0.83  10.0   3.08  25.37) =  99.999%  kept
          HN    GLU-  79 - HB    THR   94  12.30 +/- 1.54   1.253% *  0.0727% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB    THR   94  11.76 +/- 1.29   1.346% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 3.26, residual support = 26.8:
          HN    PHE   45 - HB    THR   94   3.72 +/- 0.51  79.784% * 95.4613% (0.81   3.30  27.09) =  98.810%  kept
          HN    ALA  110 - HB    THR   94   9.01 +/- 2.90  20.216% *  4.5387% (0.67   0.19   0.02) =   1.190%  kept
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   4.91 +/- 0.51 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.54 A violated in 8 structures by 1.37 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 = 4.46, residual support = 15.1:
          HN    PHE   95 - QG2   THR   94   2.19 +/- 0.35 100.000% *100.0000% (0.97   4.46  15.11) = 100.000%  kept
    Distance limit 3.23 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 = 0.635, support = 0.02, residual support = 0.02:
          HA    TRP   87 - HA    PHE   95  12.33 +/- 1.93  22.647% * 25.3593% (0.76   0.02   0.02) =  34.031%  kept
          HA    LEU  104 - HA    PHE   95  12.29 +/- 0.80  19.636% * 27.7167% (0.84   0.02   0.02) =  32.248%  kept
          HA    PHE   59 - HA    PHE   95   9.85 +/- 2.18  37.617% *  8.2742% (0.25   0.02   0.02) =  18.443%  kept
          HA    ASP-  86 - HA    PHE   95  15.19 +/- 1.89  12.228% * 12.4539% (0.38   0.02   0.02) =   9.023%  kept
          HA    GLU-  14 - HA    PHE   95  21.84 +/- 3.11   4.625% * 14.8769% (0.45   0.02   0.02) =   4.077%  kept
          HA    ALA   12 - HA    PHE   95  24.80 +/- 3.68   3.247% * 11.3190% (0.34   0.02   0.02) =   2.178%  kept
    Distance limit 3.57 A violated in 18 structures by 5.10 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   2.58 +/- 0.54  97.777% * 99.8140% (0.87   3.44  73.47) =  99.996%  kept
          HN    ALA   47 - HA    PHE   95   9.98 +/- 1.25   2.223% *  0.1860% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.03  98.878% * 99.9753% (0.80  10.0   3.99  11.96) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  10.56 +/- 1.43   1.122% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.92 +/- 0.04 100.000% *100.0000% (0.53  10.0   4.33  73.47) = 100.000%  kept
    Distance limit 3.83 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   2.47 +/- 0.15  98.655% * 99.9680% (0.87  10.0   3.00  73.47) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.35 +/- 1.63   1.345% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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   2.57 +/- 0.20  98.430% * 99.9680% (0.87  10.0   3.31  73.47) =  99.999%  kept
          HN    ALA   47 - HB3   PHE   95  11.21 +/- 1.40   1.570% *  0.0320% (0.28   1.0   0.02   0.02) =   0.001%
    Distance limit 3.31 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   3.55 +/- 0.28 100.000% *100.0000% (0.53  10.0   4.19  73.47) = 100.000%  kept
    Distance limit 3.87 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 +/- 0.32 100.000% *100.0000% (0.53  10.0   3.86  73.47) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.832, support = 1.7, residual support = 41.1:
          QG2   VAL  107 - HB3   PHE   95   3.84 +/- 0.58  72.398% * 89.9874% (0.84   1.71  41.37) =  99.329%  kept
          HG13  ILE  103 - HB3   PHE   95  10.30 +/- 0.90   4.223% *  6.6546% (0.38   0.28   0.02) =   0.428%  kept
          HG13  ILE  119 - HB3   PHE   95   9.37 +/- 2.56  16.500% *  0.5183% (0.41   0.02   0.02) =   0.130%  kept
          HG2   LYS+ 121 - HB3   PHE   95  13.10 +/- 3.56   3.564% *  1.2358% (0.98   0.02   0.02) =   0.067%
          QB    ALA   20 - HB3   PHE   95  14.06 +/- 2.11   2.081% *  1.1307% (0.90   0.02   0.02) =   0.036%
          HB3   LEU   31 - HB3   PHE   95  15.98 +/- 1.88   1.234% *  0.4732% (0.38   0.02   0.02) =   0.009%
    Distance limit 3.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.695, support = 1.36, residual support = 4.47:
          QD1   LEU   63 - HB3   PHE   95   6.18 +/- 2.67  35.833% * 36.2880% (0.57   1.66   2.08) =  47.028%  kept
          QD2   LEU  115 - HB3   PHE   95   6.39 +/- 1.86  25.709% * 42.5850% (0.90   1.23   8.80) =  39.596%  kept
          QD1   LEU   73 - HB3   PHE   95   9.83 +/- 3.62  21.317% * 16.2479% (0.57   0.74   0.11) =  12.527%  kept
          QG2   ILE   89 - HB3   PHE   95   9.68 +/- 1.04   5.304% *  2.8299% (0.15   0.47   0.02) =   0.543%  kept
          QD1   LEU  104 - HB3   PHE   95   9.30 +/- 1.00   7.234% *  0.7735% (1.00   0.02   0.02) =   0.202%  kept
          QG1   VAL   83 - HB3   PHE   95  12.21 +/- 1.90   2.708% *  0.5617% (0.73   0.02   0.02) =   0.055%
          QD2   LEU   80 - HB3   PHE   95  13.80 +/- 1.84   1.895% *  0.7140% (0.92   0.02   0.02) =   0.049%
    Distance limit 3.75 A violated in 4 structures by 0.61 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.625, support = 0.769, residual support = 0.716:
          QG1   VAL   42 - HB3   PHE   95   4.44 +/- 1.41  56.322% * 32.4123% (0.65   0.70   0.77) =  63.665%  kept
          QB    ALA   64 - HB3   PHE   95   7.51 +/- 1.23  19.406% * 39.3097% (0.53   1.04   0.81) =  26.603%  kept
          QB    ALA   47 - HB3   PHE   95  10.52 +/- 1.43   9.794% * 27.8343% (0.76   0.51   0.02) =   9.507%  kept
          HG2   LYS+ 112 - HB3   PHE   95  10.57 +/- 3.19  14.478% *  0.4436% (0.31   0.02   4.49) =   0.224%  kept
    Distance limit 3.77 A violated in 2 structures by 0.55 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.55, residual support = 41.3:
          QG2   VAL  107 - HB2   PHE   95   2.89 +/- 0.60  83.454% * 94.2163% (0.34   3.56  41.37) =  99.796%  kept
          HG13  ILE  119 - HB2   PHE   95   9.59 +/- 2.25   6.645% *  1.3908% (0.90   0.02   0.02) =   0.117%  kept
          HD3   LYS+ 112 - HB2   PHE   95  10.10 +/- 2.21   4.609% *  0.4312% (0.28   0.02   4.49) =   0.025%
          QB    ALA   20 - HB2   PHE   95  14.74 +/- 2.29   1.306% *  1.4316% (0.92   0.02   0.02) =   0.024%
          HG2   LYS+ 121 - HB2   PHE   95  13.00 +/- 3.54   2.021% *  0.8780% (0.57   0.02   0.02) =   0.023%
          HB3   LEU   31 - HB2   PHE   95  16.83 +/- 1.81   0.585% *  1.3452% (0.87   0.02   0.02) =   0.010%
          QG1   VAL   24 - HB2   PHE   95  16.14 +/- 3.08   1.378% *  0.3069% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.8, support = 4.17, residual support = 41.3:
        T HB    VAL  107 - HB2   PHE   95   2.28 +/- 0.42  88.010% * 98.0020% (0.80 10.00   4.18  41.37) =  99.822%  kept
          QE    LYS+ 112 - HB2   PHE   95   8.72 +/- 2.83   8.799% *  1.7334% (0.38  1.00   0.75   4.49) =   0.177%  kept
          HB3   PHE   45 - HB2   PHE   95   8.77 +/- 1.31   2.518% *  0.0459% (0.38  1.00   0.02   1.89) =   0.001%
          QG    GLU-  79 - HB2   PHE   95  16.86 +/- 1.37   0.289% *  0.0841% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.49 +/- 1.57   0.155% *  0.1158% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.94 +/- 0.92   0.229% *  0.0189% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.921, support = 0.744, residual support = 5.24:
          QD1   ILE   89 - QG2   THR   94   4.23 +/- 2.16  69.504% * 97.3666% (0.92   0.75   5.28) =  99.235%  kept
          QG2   VAL   83 - QG2   THR   94   7.15 +/- 1.40  25.004% *  1.9321% (0.69   0.02   0.02) =   0.708%  kept
          QD2   LEU   31 - QG2   THR   94  11.49 +/- 1.93   5.492% *  0.7014% (0.25   0.02   0.02) =   0.056%
    Distance limit 3.16 A violated in 8 structures by 1.01 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.06, residual support = 2.13:
        T HA    LYS+ 106 - HA    MET   96   2.90 +/- 0.59 100.000% *100.0000% (0.97 10.00   1.06   2.13) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.06 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   2.27 +/- 0.08  98.676% * 99.8692% (0.88  10.0   6.07  44.01) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  11.51 +/- 1.64   0.920% *  0.0999% (0.88   1.0   0.02   0.13) =   0.001%
          HN    ASP- 113 - HA    MET   96  14.76 +/- 1.38   0.403% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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   4.09 115.41) = 100.000%  kept
    Distance limit 3.79 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 = 0.49, support = 1.92, residual support = 7.93:
        T QE    PHE   45 - HB2   MET   96   4.59 +/- 1.40  60.124% * 96.5462% (0.49 10.00   1.94   8.02) =  98.827%  kept
          QD    PHE   72 - HB2   MET   96   8.00 +/- 1.53  20.035% *  1.8882% (0.69  1.00   0.27   0.02) =   0.644%  kept
        T HZ    PHE   72 - HB2   MET   96   9.53 +/- 2.62  19.842% *  1.5656% (0.76 10.00   0.02   0.02) =   0.529%  kept
    Distance limit 3.86 A violated in 3 structures by 0.49 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   4.05 +/- 0.36  94.349% * 99.4517% (0.92   6.07  44.01) =  99.987%  kept
          HN    LEU  115 - HB2   MET   96  13.37 +/- 1.41   3.153% *  0.3276% (0.92   0.02   0.13) =   0.011%
          HN    ALA   12 - HB2   MET   96  26.07 +/- 4.62   0.777% *  0.1727% (0.49   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   MET   96  16.36 +/- 1.88   1.721% *  0.0480% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.17 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   2.78 +/- 0.34 100.000% *100.0000% (0.65  10.0   4.03 115.41) = 100.000%  kept
    Distance limit 3.77 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 = 0.806, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96   9.86 +/- 2.81  41.406% * 81.6578% (0.99   0.02   0.02) =  75.880%  kept
          QD    PHE   72 - HB3   MET   96   8.34 +/- 1.73  58.594% * 18.3422% (0.22   0.02   0.02) =  24.120%  kept
    Distance limit 3.71 A violated in 18 structures by 3.95 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.4:
      O   HN    MET   96 - HB3   MET   96   2.86 +/- 0.43 100.000% *100.0000% (0.65  10.0   3.97 115.41) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.747, support = 1.88, residual support = 14.1:
          QG1   VAL   43 - HB2   MET   96   3.78 +/- 1.22  54.334% * 63.2861% (0.73   2.00  15.58) =  90.440%  kept
          QG2   THR   46 - HB2   MET   96   9.20 +/- 1.87  10.027% * 33.9485% (0.98   0.79   0.12) =   8.954%  kept
          QD2   LEU  104 - HB2   MET   96   8.55 +/- 1.86  14.404% *  0.6979% (0.80   0.02   0.02) =   0.264%  kept
          QG1   VAL   41 - HB2   MET   96   8.12 +/- 1.05  11.840% *  0.4585% (0.53   0.02   0.02) =   0.143%  kept
          QD1   ILE   19 - HB2   MET   96  14.02 +/- 3.46   4.726% *  0.8045% (0.92   0.02   0.02) =   0.100%
          QG2   VAL   18 - HB2   MET   96  13.91 +/- 4.69   4.669% *  0.8045% (0.92   0.02   0.02) =   0.099%
    Distance limit 4.02 A violated in 1 structures by 0.24 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.784, support = 1.32, residual support = 3.13:
          QD1   ILE   89 - HB2   MET   96   6.91 +/- 2.61  47.073% * 50.4701% (0.69   1.50   4.56) =  58.881%  kept
          QG2   VAL   83 - HB2   MET   96   7.84 +/- 2.75  33.764% * 48.6255% (0.92   1.08   1.08) =  40.690%  kept
          QD2   LEU   31 - HB2   MET   96  10.03 +/- 2.51  19.163% *  0.9043% (0.92   0.02   0.02) =   0.429%  kept
    Distance limit 3.97 A violated in 10 structures by 1.87 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.678, support = 1.49, residual support = 4.46:
        T QD1   ILE   89 - HB3   MET   96   6.66 +/- 3.10  60.399% * 95.3271% (0.69 10.00   1.50   4.56) =  96.886%  kept
          QG2   VAL   83 - HB3   MET   96   7.97 +/- 2.99  39.601% *  4.6729% (0.41  1.00   1.23   1.08) =   3.114%  kept
    Distance limit 3.96 A violated in 9 structures by 1.88 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 44.0:
          HN    PHE   97 - HG2   MET   96   3.89 +/- 0.70  82.556% * 99.1282% (0.92   5.59  44.01) =  99.969%  kept
          HN    LEU  115 - HB2   PRO   52  11.85 +/- 3.09   9.803% *  0.1041% (0.27   0.02   0.02) =   0.012%
          HN    LEU  115 - HG2   MET   96  14.13 +/- 2.00   2.833% *  0.3545% (0.92   0.02   0.13) =   0.012%
          HN    ALA   12 - HG2   MET   96  27.26 +/- 5.45   1.186% *  0.1869% (0.49   0.02   0.02) =   0.003%
          HN    PHE   97 - HB2   PRO   52  18.96 +/- 4.05   1.402% *  0.1041% (0.27   0.02   0.02) =   0.002%
          HN    ASN   35 - HG2   MET   96  16.71 +/- 2.50   1.719% *  0.0520% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   PRO   52  32.24 +/- 5.71   0.272% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.41 +/- 3.64   0.228% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 5.95, residual support = 44.0:
          HN    PHE   97 - HG3   MET   96   3.22 +/- 0.79  96.800% * 99.5613% (0.54   5.95  44.01) =  99.991%  kept
          HN    LEU  115 - HG3   MET   96  13.78 +/- 1.67   2.185% *  0.3349% (0.54   0.02   0.13) =   0.008%
          HN    ASP- 113 - HG3   MET   96  16.93 +/- 1.51   1.015% *  0.1038% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.712, support = 1.68, residual support = 4.41:
          QG2   THR   94 - HG2   MET   96   5.18 +/- 0.98  25.811% * 69.0199% (0.99   1.39   3.50) =  62.416%  kept
          HG13  ILE  103 - HG2   MET   96   4.35 +/- 1.43  39.343% * 26.9960% (0.25   2.17   5.99) =  37.212%  kept
          HB3   LYS+ 112 - HB2   PRO   52   9.73 +/- 4.93  16.374% *  0.2875% (0.29   0.02   0.02) =   0.165%  kept
          HD2   LYS+ 112 - HB2   PRO   52   9.78 +/- 4.78   8.471% *  0.2544% (0.25   0.02   0.02) =   0.076%
          HB3   LEU   71 - HG2   MET   96  14.32 +/- 2.58   1.510% *  0.7995% (0.80   0.02   0.02) =   0.042%
          HD2   LYS+ 112 - HG2   MET   96  16.74 +/- 3.52   0.908% *  0.8661% (0.87   0.02   0.02) =   0.028%
          QG2   THR   94 - HB2   PRO   52  12.39 +/- 3.16   2.640% *  0.2907% (0.29   0.02   0.02) =   0.027%
          HB3   LYS+ 112 - HG2   MET   96  17.17 +/- 2.58   0.656% *  0.9787% (0.98   0.02   0.02) =   0.022%
          HG3   LYS+ 111 - HB2   PRO   52  12.39 +/- 4.79   2.606% *  0.0453% (0.05   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HG2   MET   96  16.57 +/- 2.29   0.711% *  0.1541% (0.15   0.02   0.02) =   0.004%
          HB3   LEU   71 - HB2   PRO   52  23.54 +/- 4.46   0.358% *  0.2349% (0.24   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB2   PRO   52  22.35 +/- 4.36   0.611% *  0.0731% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.88, support = 2.27, residual support = 5.76:
          QG2   ILE  103 - HG2   MET   96   4.37 +/- 1.08  31.348% * 64.3505% (1.00   2.59   5.99) =  73.867%  kept
          QD1   ILE  103 - HG2   MET   96   4.22 +/- 1.38  33.397% * 18.1730% (0.49   1.50   5.99) =  22.224%  kept
          QD2   LEU   40 - HG2   MET   96   8.05 +/- 1.37   6.725% * 15.0326% (0.95   0.64   0.02) =   3.702%  kept
          QD1   LEU   67 - HG2   MET   96  11.02 +/- 2.31   3.514% *  0.4799% (0.97   0.02   0.02) =   0.062%
          HB    VAL   75 - HG2   MET   96   9.62 +/- 2.07   8.854% *  0.1866% (0.38   0.02   0.02) =   0.061%
          HG3   LYS+  74 - HG2   MET   96  14.65 +/- 2.20   1.178% *  0.4929% (0.99   0.02   0.02) =   0.021%
          QD2   LEU   71 - HG2   MET   96  12.53 +/- 1.94   1.792% *  0.3016% (0.61   0.02   0.02) =   0.020%
          QG2   ILE  103 - HB2   PRO   52  18.17 +/- 3.90   1.890% *  0.1458% (0.29   0.02   0.02) =   0.010%
          QG2   ILE  119 - HB2   PRO   52  13.07 +/- 2.96   5.848% *  0.0451% (0.09   0.02   0.02) =   0.010%
          QG2   ILE  119 - HG2   MET   96  14.62 +/- 2.54   1.196% *  0.1535% (0.31   0.02   0.02) =   0.007%
          HG3   LYS+  74 - HB2   PRO   52  17.24 +/- 5.21   0.969% *  0.1448% (0.29   0.02   0.02) =   0.005%
          QD1   LEU   67 - HB2   PRO   52  17.18 +/- 2.92   0.784% *  0.1410% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   40 - HB2   PRO   52  19.02 +/- 3.23   0.596% *  0.1382% (0.28   0.02   0.02) =   0.003%
          QD1   ILE  103 - HB2   PRO   52  19.20 +/- 3.68   0.690% *  0.0711% (0.14   0.02   0.02) =   0.002%
          HB    VAL   75 - HB2   PRO   52  17.04 +/- 3.63   0.783% *  0.0548% (0.11   0.02   0.02) =   0.002%
          QD2   LEU   71 - HB2   PRO   52  19.89 +/- 3.80   0.436% *  0.0886% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 1 structures by 0.27 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.355, support = 0.414, residual support = 0.663:
          HG    LEU   98 - HG3   MET   96   5.95 +/- 2.11  21.327% * 22.2448% (0.25   0.64   0.16) =  50.408%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.06 +/- 1.74  34.346% *  7.2691% (0.61   0.09   2.13) =  26.528%  kept
          QB    LEU   98 - HG3   MET   96   4.93 +/- 0.85  21.440% *  4.4315% (0.14   0.24   0.16) =  10.095%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.45 +/- 1.23   1.437% * 37.2284% (0.59   0.46   0.02) =   5.683%  kept
          HB3   PRO   93 - HG3   MET   96  11.75 +/- 1.67   1.952% * 16.4381% (0.34   0.35   0.02) =   3.410%  kept
          HB3   ASP-  44 - HG3   MET   96   9.19 +/- 1.89   8.072% *  2.5694% (0.12   0.15   0.02) =   2.204%  kept
          HB    VAL   42 - HG3   MET   96   8.26 +/- 1.23   5.552% *  1.5055% (0.54   0.02   0.02) =   0.888%  kept
          HB3   LEU   73 - HG3   MET   96  12.39 +/- 3.05   1.956% *  1.5879% (0.57   0.02   0.02) =   0.330%  kept
          QB    ALA   84 - HG3   MET   96  11.83 +/- 1.69   1.362% *  0.8832% (0.32   0.02   0.02) =   0.128%  kept
          HG3   LYS+  65 - HG3   MET   96  17.12 +/- 3.20   0.676% *  1.5055% (0.54   0.02   0.02) =   0.108%  kept
          HB2   LYS+ 112 - HG3   MET   96  16.68 +/- 2.16   0.440% *  1.6638% (0.60   0.02   0.02) =   0.078%
          HG3   LYS+  33 - HG3   MET   96  16.94 +/- 2.47   0.465% *  1.4021% (0.51   0.02   0.02) =   0.069%
          QB    ALA   12 - HG3   MET   96  22.13 +/- 3.75   0.697% *  0.7526% (0.27   0.02   0.02) =   0.056%
          QB    ALA  124 - HG3   MET   96  19.63 +/- 3.34   0.279% *  0.5181% (0.19   0.02   0.02) =   0.015%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.422, support = 1.68, residual support = 4.48:
          QG2   THR   94 - HG3   MET   96   5.19 +/- 0.72  34.837% * 65.0036% (0.60  1.00   1.39   3.50) =  59.957%  kept
          HG13  ILE  103 - HG3   MET   96   3.99 +/- 1.04  59.935% * 25.0199% (0.15  1.00   2.13   5.99) =  39.704%  kept
        T HD2   LYS+ 112 - HG3   MET   96  16.62 +/- 2.86   1.266% *  8.1567% (0.53 10.00   0.02   0.02) =   0.273%  kept
          HB3   LEU   71 - HG3   MET   96  14.31 +/- 2.77   1.982% *  0.7530% (0.49  1.00   0.02   0.02) =   0.040%
          HB3   LYS+ 112 - HG3   MET   96  16.98 +/- 2.02   0.908% *  0.9217% (0.59  1.00   0.02   0.02) =   0.022%
          HG3   LYS+ 111 - HG3   MET   96  16.24 +/- 2.25   1.072% *  0.1451% (0.09  1.00   0.02   0.02) =   0.004%
    Distance limit 3.80 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.539, support = 2.29, residual support = 5.84:
          QG2   ILE  103 - HG3   MET   96   3.80 +/- 0.71  41.965% * 66.0390% (0.61   2.55   5.99) =  76.433%  kept
          QD1   ILE  103 - HG3   MET   96   4.00 +/- 1.08  39.331% * 19.3941% (0.30   1.54   5.99) =  21.038%  kept
          QD2   LEU   40 - HG3   MET   96   7.87 +/- 1.26   6.796% * 12.8829% (0.57   0.53   0.02) =   2.415%  kept
          QD1   LEU   67 - HG3   MET   96  11.00 +/- 2.45   4.567% *  0.5006% (0.59   0.02   0.02) =   0.063%
          HB    VAL   75 - HG3   MET   96  10.06 +/- 1.94   3.765% *  0.1947% (0.23   0.02   0.02) =   0.020%
          QD2   LEU   71 - HG3   MET   96  12.49 +/- 2.01   1.601% *  0.3146% (0.37   0.02   0.02) =   0.014%
          HG3   LYS+  74 - HG3   MET   96  14.96 +/- 1.97   0.849% *  0.5141% (0.60   0.02   0.02) =   0.012%
          QG2   ILE  119 - HG3   MET   96  14.34 +/- 2.42   1.127% *  0.1601% (0.19   0.02   0.02) =   0.005%
    Distance limit 3.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.34, residual support = 10.6:
      O   HN    LEU   98 - HA    PHE   97   2.21 +/- 0.02 100.000% *100.0000% (0.80  10.0   3.34  10.62) = 100.000%  kept
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.7, residual support = 62.3:
      O   HN    PHE   97 - HA    PHE   97   2.92 +/- 0.01  98.211% * 99.8692% (0.90  10.0   4.70  62.26) =  99.999%  kept
          HN    LEU  115 - HA    PHE   97  13.54 +/- 2.07   1.241% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  16.99 +/- 1.69   0.547% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.3:
      O T QD    PHE   97 - HB2   PHE   97   2.48 +/- 0.14  97.968% * 99.9164% (0.45  10.0 10.00   2.44  62.26) =  99.998%  kept
          HZ3   TRP   87 - HB2   PHE   97  11.56 +/- 5.30   2.032% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.60 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 = 7.77, residual support = 60.7:
          HN    ASP- 105 - HB2   PHE   97   2.21 +/- 0.50  99.688% * 99.8979% (0.95   7.77  60.75) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  17.13 +/- 2.32   0.312% *  0.1021% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.81, residual support = 62.3:
      O   HN    PHE   97 - HB2   PHE   97   2.73 +/- 0.52  97.201% * 99.8692% (0.90  10.0   4.81  62.26) =  99.998%  kept
          HN    LEU  115 - HB2   PHE   97  12.74 +/- 2.27   2.051% *  0.0999% (0.90   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB2   PHE   97  16.19 +/- 1.89   0.748% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.96, support = 3.45, residual support = 53.0:
        T HB3   ASP- 105 - HB2   PHE   97   2.85 +/- 0.54  64.272% * 53.6345% (0.99 10.00   3.71  60.75) =  84.602%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.76 +/- 0.82  13.988% * 43.3306% (0.80 10.00   2.07  10.88) =  14.875%  kept
          HG12  ILE  103 - HB2   PHE   97   6.12 +/- 1.37  10.001% *  1.2567% (0.20  1.00   2.35   2.30) =   0.308%  kept
          HB    ILE  103 - HB2   PHE   97   6.94 +/- 0.93   5.906% *  1.4471% (1.00  1.00   0.53   2.30) =   0.210%  kept
          QB    LYS+  33 - HB2   PHE   97  15.75 +/- 2.38   0.966% *  0.0512% (0.95  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HB2   PHE   97  14.65 +/- 3.21   0.791% *  0.0540% (1.00  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PHE   97  20.50 +/- 3.76   0.413% *  0.0540% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HB2   PHE   97  19.50 +/- 4.13   0.999% *  0.0222% (0.41  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   PHE   97  14.91 +/- 2.92   0.875% *  0.0203% (0.38  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  15.60 +/- 4.13   0.791% *  0.0222% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  20.11 +/- 1.90   0.231% *  0.0452% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  20.68 +/- 1.43   0.215% *  0.0485% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  15.73 +/- 1.64   0.552% *  0.0135% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.305, support = 4.51, residual support = 14.4:
        T HB2   LEU  104 - HB2   PHE   97   3.32 +/- 0.85  41.360% * 80.3546% (0.31 10.00   4.71  16.15) =  87.720%  kept
          QG2   ILE  103 - HB2   PHE   97   3.97 +/- 0.84  28.389% * 11.9068% (0.25  1.00   3.67   2.30) =   8.922%  kept
          QD2   LEU   40 - HB2   PHE   97   5.53 +/- 1.33  17.614% *  7.1485% (0.38  1.00   1.46   1.40) =   3.323%  kept
          QD1   LEU   67 - HB2   PHE   97  10.19 +/- 3.10   5.795% *  0.0888% (0.34  1.00   0.02   0.02) =   0.014%
          QD1   ILE  119 - HB2   PHE   97  10.56 +/- 2.96   2.430% *  0.1579% (0.61  1.00   0.02   0.72) =   0.010%
          HB    VAL   75 - HB2   PHE   97  12.64 +/- 1.68   1.028% *  0.2463% (0.95  1.00   0.02   0.02) =   0.007%
          QG2   VAL  108 - HB2   PHE   97   8.80 +/- 0.70   2.681% *  0.0515% (0.20  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HB2   PHE   97  16.43 +/- 2.57   0.703% *  0.0456% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.327, support = 1.8, residual support = 5.59:
        T QD2   LEU   40 - HB3   PHE   97   5.12 +/- 1.50  20.121% * 73.5251% (0.36 10.00   1.14   1.40) =  63.144%  kept
          HB2   LEU  104 - HB3   PHE   97   3.26 +/- 0.99  37.614% * 17.3622% (0.29  1.00   3.27  16.15) =  27.874%  kept
          QG2   ILE  103 - HB3   PHE   97   4.25 +/- 1.07  24.981% *  8.3329% (0.24  1.00   1.94   2.30) =   8.885%  kept
          QD1   LEU   67 - HB3   PHE   97   9.89 +/- 3.51  11.242% *  0.1174% (0.32  1.00   0.02   0.02) =   0.056%
          QD1   ILE  119 - HB3   PHE   97  10.57 +/- 2.76   2.436% *  0.2087% (0.57  1.00   0.02   0.72) =   0.022%
          HB    VAL   75 - HB3   PHE   97  12.65 +/- 1.66   0.845% *  0.3255% (0.89  1.00   0.02   0.02) =   0.012%
          QG2   VAL  108 - HB3   PHE   97   9.23 +/- 0.83   2.091% *  0.0681% (0.19  1.00   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HB3   PHE   97  16.41 +/- 2.67   0.670% *  0.0603% (0.17  1.00   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.3:
      O T QD    PHE   97 - HB3   PHE   97   2.47 +/- 0.17  97.758% * 99.8821% (0.87  10.0 10.00   2.74  62.26) =  99.998%  kept
          HZ3   TRP   87 - HB3   PHE   97  11.88 +/- 5.32   1.850% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HB3   PHE   97  21.59 +/- 4.05   0.392% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.62, residual support = 60.7:
          HN    ASP- 105 - HB3   PHE   97   2.66 +/- 0.67  98.684% * 99.1004% (0.46   5.62  60.75) =  99.994%  kept
          HN    ALA   88 - HB3   PHE   97  17.40 +/- 2.16   0.594% *  0.6279% (0.82   0.02   0.02) =   0.004%
          HN    PHE   55 - HB3   PHE   97  18.73 +/- 3.28   0.722% *  0.2717% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.16, residual support = 62.3:
      O   HN    PHE   97 - HB3   PHE   97   3.08 +/- 0.55  97.552% * 99.8692% (0.85  10.0   5.16  62.26) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  13.04 +/- 2.33   1.662% *  0.0999% (0.85   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB3   PHE   97  16.51 +/- 1.96   0.786% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.742, support = 2.06, residual support = 52.8:
          HB3   ASP- 105 - HB3   PHE   97   3.30 +/- 0.72  63.878% * 49.2060% (0.72  1.00   2.25  60.75) =  84.828%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.24 +/- 0.88  12.603% * 33.3263% (0.93  1.00   1.19  10.88) =  11.335%  kept
          HB    ILE  103 - HB3   PHE   97   7.16 +/- 1.13  10.870% * 12.3959% (0.65  1.00   0.63   2.30) =   3.636%  kept
        T HB3   PRO   58 - HB3   PHE   97  16.12 +/- 4.09   2.597% *  1.2759% (0.21 10.00   0.02   0.02) =   0.089%
          HB    ILE   56 - HB3   PHE   97  15.04 +/- 3.34   1.974% *  0.4971% (0.82  1.00   0.02   0.02) =   0.026%
          HG3   PRO   68 - HB3   PHE   97  14.28 +/- 3.53   2.478% *  0.3707% (0.61  1.00   0.02   0.02) =   0.025%
          HB3   GLN   30 - HB3   PHE   97  14.28 +/- 2.68   1.555% *  0.3015% (0.50  1.00   0.02   0.02) =   0.013%
          HB3   LYS+  38 - HB3   PHE   97  15.33 +/- 2.02   1.094% *  0.4161% (0.69  1.00   0.02   0.02) =   0.012%
          QB    LYS+  33 - HB3   PHE   97  15.55 +/- 1.97   0.874% *  0.4971% (0.82  1.00   0.02   0.02) =   0.012%
          HG2   ARG+  54 - HB3   PHE   97  20.56 +/- 3.98   0.728% *  0.4161% (0.69  1.00   0.02   0.02) =   0.008%
          QB    LYS+  81 - HB3   PHE   97  20.18 +/- 1.74   0.401% *  0.5531% (0.91  1.00   0.02   0.02) =   0.006%
          HB3   GLN   90 - HB3   PHE   97  20.92 +/- 1.48   0.329% *  0.5290% (0.87  1.00   0.02   0.02) =   0.005%
          HB2   MET   92 - HB3   PHE   97  17.24 +/- 1.42   0.617% *  0.2151% (0.36  1.00   0.02   0.02) =   0.004%
    Distance limit 4.07 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 = 0.343, support = 3.87, residual support = 26.9:
          HG12  ILE  103 - HA    LEU   98   3.82 +/- 1.10  50.266% * 53.6841% (0.25   4.86  30.51) =  74.280%  kept
          HB    VAL   41 - HA    LEU   98   6.33 +/- 1.67  23.648% * 23.5246% (0.38   1.42  26.26) =  15.314%  kept
          QB    LYS+ 102 - HA    LEU   98   5.37 +/- 0.45  19.380% * 19.2433% (0.98   0.44   2.21) =  10.266%  kept
          HB2   LEU   71 - HA    LEU   98  11.83 +/- 2.38   3.111% *  0.8838% (1.00   0.02   0.02) =   0.076%
          QB    LYS+  65 - HA    LEU   98  15.71 +/- 2.03   0.892% *  0.8857% (1.00   0.02   0.02) =   0.022%
          HG2   PRO   93 - HA    LEU   98  18.20 +/- 2.56   0.750% *  0.7398% (0.84   0.02   0.02) =   0.015%
          QB    LYS+  66 - HA    LEU   98  15.07 +/- 2.73   1.084% *  0.5015% (0.57   0.02   0.02) =   0.015%
          HB3   GLN   17 - HA    LEU   98  19.41 +/- 4.95   0.868% *  0.5372% (0.61   0.02   0.02) =   0.013%
    Distance limit 3.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.7, support = 2.9, residual support = 29.3:
          HA    ILE  103 - HA    LEU   98   2.21 +/- 0.78  78.336% * 76.2285% (0.73   2.96  30.51) =  94.155%  kept
          HA    LEU  104 - HA    LEU   98   4.82 +/- 0.73  19.256% * 19.1928% (0.28   1.94  10.11) =   5.827%  kept
          HA    ASP-  44 - HA    LEU   98  11.27 +/- 0.95   0.645% *  0.6372% (0.90   0.02   0.02) =   0.006%
          HA    ASP-  86 - HA    LEU   98  16.57 +/- 3.86   0.257% *  0.5159% (0.73   0.02   0.02) =   0.002%
          HA    THR   39 - HA    LEU   98  11.13 +/- 1.14   0.645% *  0.1975% (0.28   0.02   0.02) =   0.002%
          HA    MET   11 - HA    LEU   98  26.45 +/- 5.74   0.138% *  0.6558% (0.92   0.02   0.02) =   0.001%
          HB    THR   77 - HA    LEU   98  17.60 +/- 2.25   0.151% *  0.5934% (0.84   0.02   0.02) =   0.001%
          HA    SER   85 - HA    LEU   98  18.98 +/- 2.72   0.140% *  0.5934% (0.84   0.02   0.02) =   0.001%
          HA    GLU-  14 - HA    LEU   98  20.89 +/- 4.41   0.134% *  0.4596% (0.65   0.02   0.02) =   0.001%
          HA    ALA   12 - HA    LEU   98  23.93 +/- 4.51   0.096% *  0.5429% (0.76   0.02   0.02) =   0.001%
          HA    GLU-  79 - HA    LEU   98  21.10 +/- 2.82   0.127% *  0.2423% (0.34   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  25.36 +/- 3.25   0.074% *  0.1406% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.98, residual support = 5.97:
          HN    ASP- 105 - HA    LEU   98   4.49 +/- 0.46  97.407% * 99.8008% (0.95   3.98   5.97) =  99.995%  kept
          HN    ALA   88 - HA    LEU   98  16.77 +/- 2.67   2.593% *  0.1992% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.00 A violated in 1 structures by 0.50 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.37, residual support = 18.5:
      O   HN    LYS+  99 - HA    LEU   98   2.32 +/- 0.08  97.097% * 99.7964% (0.80  10.0   4.37  18.51) =  99.998%  kept
          HE1   HIS  122 - HA    LEU   98  13.79 +/- 6.83   1.853% *  0.0905% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    LEU   98  12.96 +/- 2.00   0.663% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  21.49 +/- 4.75   0.387% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 3.66, residual support = 10.1:
          HN    LEU  104 - HA    LEU   98   2.73 +/- 0.69  97.767% * 99.6427% (0.92   3.66  10.11) =  99.992%  kept
          HN    PHE   72 - HA    LEU   98  12.13 +/- 1.25   2.233% *  0.3573% (0.61   0.02   0.02) =   0.008%
    Distance limit 3.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.95, residual support = 75.9:
      O   HN    LEU   98 - HA    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.98  10.0   4.95  75.93) = 100.000%  kept
    Distance limit 3.66 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 = 0.461, support = 3.57, residual support = 27.3:
        T HB    VAL   41 - QB    LEU   98   4.24 +/- 1.77  35.158% * 68.1789% (0.42 10.00   3.51  26.26) =  71.890%  kept
          HG12  ILE  103 - QB    LEU   98   2.87 +/- 1.08  48.667% * 17.7831% (0.56  1.00   3.93  30.51) =  25.956%  kept
          HB    ILE  103 - QB    LEU   98   4.72 +/- 0.71   8.077% *  6.9742% (0.60  1.00   1.45  30.51) =   1.690%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.32 +/- 0.84   2.479% *  3.4679% (0.27 10.00   0.16   0.02) =   0.258%  kept
          HB3   ASP- 105 - QB    LEU   98   7.56 +/- 0.81   2.613% *  2.3218% (0.53  1.00   0.55   5.97) =   0.182%  kept
        T QB    LYS+  33 - QB    LEU   98  11.42 +/- 2.02   0.949% *  0.6818% (0.42 10.00   0.02   0.02) =   0.019%
          HG3   PRO   68 - QB    LEU   98  13.93 +/- 2.61   0.550% *  0.1017% (0.63  1.00   0.02   0.02) =   0.002%
          HG    LEU  123 - QB    LEU   98  18.37 +/- 3.71   0.371% *  0.1256% (0.78  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QB    LEU   98  20.25 +/- 3.26   0.176% *  0.1256% (0.78  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  13.40 +/- 2.17   0.407% *  0.0432% (0.27  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QB    LEU   98  16.00 +/- 2.32   0.263% *  0.0478% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  17.67 +/- 1.95   0.184% *  0.0576% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  20.92 +/- 2.68   0.106% *  0.0906% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.267, support = 3.98, residual support = 18.5:
          HN    LYS+  99 - QB    LEU   98   3.17 +/- 0.42  87.948% * 97.4435% (0.27   3.99  18.51) =  99.914%  kept
          HN    ASN   35 - QB    LEU   98  10.98 +/- 2.23   2.822% *  1.3229% (0.72   0.02   0.02) =   0.044%
          HE1   HIS  122 - QB    LEU   98  13.26 +/- 5.88   6.704% *  0.3949% (0.22   0.02   0.02) =   0.031%
          HN    ALA   12 - QB    LEU   98  22.10 +/- 4.73   1.077% *  0.5944% (0.33   0.02   0.02) =   0.007%
          HN    GLU-  14 - QB    LEU   98  18.80 +/- 4.33   1.448% *  0.2444% (0.13   0.02   0.02) =   0.004%
    Distance limit 3.53 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 = 26.3:
          HN    VAL   41 - QB    LEU   98   4.63 +/- 1.34 100.000% *100.0000% (0.85   3.25  26.26) = 100.000%  kept
    Distance limit 4.06 A violated in 4 structures by 0.83 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.78, residual support = 75.9:
      O   HN    LEU   98 - QB    LEU   98   2.79 +/- 0.26 100.000% *100.0000% (0.85  10.0   4.78  75.93) = 100.000%  kept
    Distance limit 3.37 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 = 75.9:
      O   HA    LEU   98 - HG    LEU   98   3.03 +/- 0.42 100.000% *100.0000% (0.69  10.0   4.04  75.93) = 100.000%  kept
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.67, residual support = 75.9:
          HN    LEU   98 - HG    LEU   98   3.64 +/- 0.73 100.000% *100.0000% (0.98   3.67  75.93) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.377, support = 3.69, residual support = 25.4:
        T HA    ILE  103 - QD1   LEU   98   2.94 +/- 0.51  74.787% * 25.1752% (0.25 10.00   4.29  30.51) =  75.364%  kept
        T HA    LEU  104 - QD1   LEU   98   6.20 +/- 0.90   8.413% * 72.0972% (0.76 10.00   1.87  10.11) =  24.280%  kept
          HA    ASP-  86 - QD1   LEU   98  11.63 +/- 3.80   3.432% *  2.3712% (1.00  1.00   0.47   0.02) =   0.326%  kept
          HA    GLU-  14 - QD1   LEU   98  17.94 +/- 4.62   2.504% *  0.1007% (1.00  1.00   0.02   0.02) =   0.010%
          HA    ASP-  44 - QD1   LEU   98   8.98 +/- 1.85   5.477% *  0.0415% (0.41  1.00   0.02   0.02) =   0.009%
          HA    ALA   12 - QD1   LEU   98  20.36 +/- 4.32   1.164% *  0.1001% (0.99  1.00   0.02   0.02) =   0.005%
          HA    MET   11 - QD1   LEU   98  22.47 +/- 5.06   1.302% *  0.0453% (0.45  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QD1   LEU   98  13.22 +/- 2.31   1.564% *  0.0344% (0.34  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QD1   LEU   98  13.73 +/- 2.82   1.358% *  0.0344% (0.34  1.00   0.02   0.02) =   0.002%
    Distance limit 3.19 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.717, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  11.75 +/- 3.32  29.659% * 33.8723% (0.84   0.02   0.02) =  38.000%  kept
          QD    PHE   59 - QD1   LEU   98  12.62 +/- 2.37  24.268% * 33.8723% (0.84   0.02   0.02) =  31.093%  kept
          HE21  GLN   30 - QD1   LEU   98  11.02 +/- 3.08  33.289% * 19.7390% (0.49   0.02   0.02) =  24.854%  kept
          HH2   TRP   49 - QD1   LEU   98  18.30 +/- 3.91  12.784% * 12.5164% (0.31   0.02   0.02) =   6.052%  kept
    Distance limit 3.62 A violated in 20 structures by 5.31 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.12, residual support = 17.4:
        T QD1   LEU  104 - HB2   LYS+  99   2.54 +/- 0.86  90.458% * 98.4796% (0.69 10.00   3.12  17.37) =  99.975%  kept
        T QG2   ILE   89 - HB2   LYS+  99  16.57 +/- 1.70   0.875% *  0.8117% (0.57 10.00   0.02   0.02) =   0.008%
        T QD1   LEU   63 - HB2   LYS+  99  11.75 +/- 1.96   2.945% *  0.2212% (0.15 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   73 - HB2   LYS+  99  12.88 +/- 2.12   2.560% *  0.2212% (0.15 10.00   0.02   0.02) =   0.006%
          QG1   VAL   83 - HB2   LYS+  99  14.98 +/- 3.80   1.323% *  0.1430% (1.00  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB2   LYS+  99  15.60 +/- 2.37   1.059% *  0.0589% (0.41  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LYS+  99  17.10 +/- 3.62   0.780% *  0.0643% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.42, residual support = 10.7:
        T QD2   LEU   40 - HB2   LYS+  99   4.02 +/- 0.61  59.681% * 94.4276% (0.95 10.00   2.44  10.79) =  98.880%  kept
          QG2   ILE  103 - HB2   LYS+  99   7.02 +/- 0.58  12.545% *  3.8880% (1.00  1.00   0.78   0.02) =   0.856%  kept
          QD1   ILE  103 - HB2   LYS+  99   7.91 +/- 0.99  10.069% *  1.3603% (0.49  1.00   0.56   0.02) =   0.240%  kept
          QD1   LEU   67 - HB2   LYS+  99  10.97 +/- 2.62   8.404% *  0.0963% (0.97  1.00   0.02   0.02) =   0.014%
          QD2   LEU   71 - HB2   LYS+  99  11.01 +/- 1.52   4.111% *  0.0605% (0.61  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HB2   LYS+  99  18.99 +/- 3.05   2.035% *  0.0989% (0.99  1.00   0.02   0.02) =   0.004%
          QG2   ILE  119 - HB2   LYS+  99  15.12 +/- 3.97   1.958% *  0.0308% (0.31  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  99  15.66 +/- 1.39   1.197% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.35 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.82, residual support = 174.9:
      O   HN    LYS+  99 - HB2   LYS+  99   2.94 +/- 0.23  92.317% * 99.4797% (0.31  10.0   4.82 174.90) =  99.987%  kept
          HN    ASN   35 - HB2   LYS+  99  11.52 +/- 2.60   3.135% *  0.2692% (0.84   1.0   0.02   0.02) =   0.009%
          HE1   HIS  122 - HB2   LYS+  99  13.55 +/- 7.09   3.213% *  0.0804% (0.25   1.0   0.02   0.02) =   0.003%
          HN    ALA   12 - HB2   LYS+  99  23.83 +/- 5.85   0.570% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   LYS+  99  20.33 +/- 4.99   0.766% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.25, residual support = 174.9:
      O   HN    LYS+  99 - HA    LYS+  99   2.89 +/- 0.03  92.684% * 99.7964% (0.80  10.0   5.25 174.90) =  99.995%  kept
          HE1   HIS  122 - HA    LYS+  99  14.57 +/- 6.91   2.582% *  0.0905% (0.73   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HA    LYS+  99   9.90 +/- 2.45   3.725% *  0.0425% (0.34   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LYS+  99  19.28 +/- 4.82   1.009% *  0.0706% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.7:
      O   HN    GLU- 100 - HA    LYS+  99   2.20 +/- 0.05 100.000% *100.0000% (0.84  10.0   6.83  39.72) = 100.000%  kept
    Distance limit 3.01 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 = 0.826, support = 5.21, residual support = 185.2:
      O   QE    LYS+  99 - HG2   LYS+  99   2.60 +/- 0.54  43.087% * 79.1619% (0.99  10.0   5.39 174.90) =  77.542%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.50 +/- 0.51  47.957% * 20.5905% (0.26  10.0   4.58 220.97) =  22.449%  kept
          QE    LYS+  38 - HG2   LYS+  99   8.77 +/- 2.16   2.832% *  0.0756% (0.95   1.0   0.02   0.02) =   0.005%
          QE    LYS+ 102 - HG2   LYS+  99   9.41 +/- 1.15   0.984% *  0.0610% (0.76   1.0   0.02   1.66) =   0.001%
          QE    LYS+  99 - HG2   LYS+  38   8.02 +/- 1.55   2.050% *  0.0216% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  99   9.30 +/- 0.94   1.233% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  99  15.68 +/- 4.38   1.047% *  0.0300% (0.38   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HG2   LYS+  38  15.45 +/- 3.37   0.416% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  16.27 +/- 1.86   0.206% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.40 +/- 1.41   0.187% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 7.05, residual support = 174.5:
      O T HA    LYS+  99 - HG2   LYS+  99   2.91 +/- 0.45  46.577% * 98.1489% (0.84  10.0 10.00   7.07 174.90) =  99.765%  kept
          HA    LEU   40 - HG2   LYS+  99   5.52 +/- 1.29   9.918% *  0.8840% (0.57   1.0  1.00   0.27  10.79) =   0.191%  kept
          HA    ASN   35 - HG2   LYS+  38   4.00 +/- 1.73  30.923% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.020%
        T HA    LYS+  99 - HG2   LYS+  38  10.09 +/- 1.75   1.508% *  0.2675% (0.23   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASN   35 - HG2   LYS+  99   9.25 +/- 2.49   3.363% *  0.1112% (0.95   1.0  1.00   0.02   0.02) =   0.008%
          HA    GLU-  15 - HG2   LYS+  99  17.81 +/- 5.25   1.812% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HG2   LYS+  99  20.13 +/- 7.46   0.607% *  0.1172% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HG2   LYS+  38   8.03 +/- 0.47   2.693% *  0.0181% (0.15   1.0  1.00   0.02   0.49) =   0.001%
          HA    ILE   56 - HG2   LYS+  99  23.36 +/- 3.53   0.132% *  0.1134% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  20.76 +/- 5.31   0.297% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  20.80 +/- 3.79   0.257% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  15.91 +/- 5.16   0.881% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  24.52 +/- 8.30   0.209% *  0.0320% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  17.91 +/- 5.02   0.509% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  24.24 +/- 2.44   0.087% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.72 +/- 2.61   0.067% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  24.33 +/- 2.92   0.116% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  29.60 +/- 2.83   0.045% *  0.0156% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.111, support = 4.78, residual support = 18.0:
          HA    SER   37 - HA    LYS+  38   5.21 +/- 0.06  29.698% * 42.8330% (0.05  1.00   5.52  20.87) =  86.016%  kept
          HA    LEU   40 - HA    LYS+  38   6.21 +/- 0.26  17.725% *  4.6242% (0.05  1.00   0.57   0.49) =   5.542%  kept
          HA    LEU   40 - HA    GLU- 100   6.87 +/- 2.11  21.865% *  2.6891% (0.80  1.00   0.02   0.02) =   3.976%  kept
          HA    GLU-  15 - HA    GLU- 100  18.62 +/- 6.68   8.526% *  3.1768% (0.95  1.00   0.02   0.02) =   1.831%  kept
          HA    SER   37 - HA    GLU- 100  10.58 +/- 2.81   5.377% *  2.5665% (0.76  1.00   0.02   0.02) =   0.933%  kept
        T HA    PRO   58 - HA    GLU- 100  23.62 +/- 3.26   0.384% * 31.0007% (0.92 10.00   0.02   0.02) =   0.805%  kept
          HA    SER   13 - HA    GLU- 100  21.43 +/- 5.98   1.430% *  3.1768% (0.95  1.00   0.02   0.02) =   0.307%  kept
          HA    GLN   17 - HA    GLU- 100  19.59 +/- 6.45   1.055% *  2.5665% (0.76  1.00   0.02   0.02) =   0.183%  kept
          HA    VAL   42 - HA    GLU- 100  10.93 +/- 1.11   3.363% *  0.7477% (0.22  1.00   0.02   0.02) =   0.170%  kept
          HA    THR   46 - HA    GLU- 100  22.68 +/- 1.52   0.371% *  2.8051% (0.84  1.00   0.02   0.02) =   0.070%
        T HA    PRO   58 - HA    LYS+  38  22.71 +/- 2.64   0.439% *  1.8733% (0.06 10.00   0.02   0.02) =   0.056%
          HA    LEU  123 - HA    GLU- 100  23.98 +/- 7.14   0.651% *  0.6646% (0.20  1.00   0.02   0.02) =   0.029%
          HA    GLU-  15 - HA    LYS+  38  15.00 +/- 4.83   2.107% *  0.1920% (0.06  1.00   0.02   0.02) =   0.027%
          HA    SER   13 - HA    LYS+  38  17.34 +/- 4.15   1.446% *  0.1920% (0.06  1.00   0.02   0.02) =   0.019%
          HA    GLN   17 - HA    LYS+  38  16.86 +/- 4.22   1.201% *  0.1551% (0.05  1.00   0.02   0.02) =   0.013%
          HA    ILE   56 - HA    GLU- 100  26.02 +/- 2.98   0.272% *  0.4545% (0.14  1.00   0.02   0.02) =   0.008%
          HA    VAL   42 - HA    LYS+  38  12.41 +/- 0.62   2.251% *  0.0452% (0.01  1.00   0.02   0.02) =   0.007%
          HA    THR   46 - HA    LYS+  38  23.97 +/- 1.18   0.310% *  0.1695% (0.05  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HA    LYS+  38  23.29 +/- 7.80   1.258% *  0.0402% (0.01  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HA    LYS+  38  25.98 +/- 2.54   0.271% *  0.0275% (0.01  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.88 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.19 +/- 0.50  91.282% * 99.9940% (1.00  10.0   3.86  14.93) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38   9.98 +/- 2.96   8.718% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.38, residual support = 75.7:
      O   HN    GLU- 100 - HA    GLU- 100   2.26 +/- 0.11  93.711% * 99.9940% (0.84  10.0   6.38  75.73) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   7.55 +/- 2.55   6.289% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.826, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  12.53 +/- 4.20  14.657% * 28.3278% (1.00 10.00   0.02   0.02) =  45.941%  kept
        T HA    GLN   32 - HB2   GLU- 100  12.16 +/- 4.57  19.642% *  8.7627% (0.31 10.00   0.02   0.02) =  19.045%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.08 +/- 4.29   5.620% * 27.8286% (0.98 10.00   0.02   0.02) =  17.305%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.71 +/- 3.85   3.055% * 23.7140% (0.84 10.00   0.02   0.02) =   8.017%  kept
          HA    VAL   70 - HB2   GLU- 100  13.51 +/- 2.24  15.040% *  2.3714% (0.84  1.00   0.02   0.02) =   3.946%  kept
          HA    VAL   18 - HB2   GLU- 100  19.66 +/- 4.92   6.977% *  2.7399% (0.97  1.00   0.02   0.02) =   2.115%  kept
          HB2   SER   37 - HB2   GLU- 100  10.71 +/- 3.22  23.200% *  0.5618% (0.20  1.00   0.02   0.02) =   1.442%  kept
          HB2   SER   82 - HB2   GLU- 100  22.51 +/- 5.14   4.969% *  2.6208% (0.92  1.00   0.02   0.02) =   1.441%  kept
          HA    ALA   88 - HB2   GLU- 100  23.69 +/- 2.36   3.016% *  0.9684% (0.34  1.00   0.02   0.02) =   0.323%  kept
          HA    SER   48 - HB2   GLU- 100  28.20 +/- 2.69   1.742% *  1.6074% (0.57  1.00   0.02   0.02) =   0.310%  kept
          HD2   PRO   52 - HB2   GLU- 100  29.67 +/- 4.05   2.082% *  0.4972% (0.18  1.00   0.02   0.02) =   0.115%  kept
    Distance limit 3.45 A violated in 17 structures by 4.65 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.27, residual support = 39.6:
          HG2   LYS+  99 - HG2   GLU- 100   3.03 +/- 1.09  64.360% * 97.4967% (0.45   5.28  39.72) =  99.806%  kept
          HG2   LYS+  38 - HG2   GLU- 100   8.65 +/- 3.07  20.631% *  0.4664% (0.57   0.02   0.02) =   0.153%  kept
          HB2   LEU   31 - HG2   GLU- 100  11.99 +/- 3.82  13.913% *  0.1443% (0.18   0.02   0.02) =   0.032%
          QG2   THR   77 - HG2   GLU- 100  18.88 +/- 1.77   0.346% *  0.8075% (0.98   0.02   0.02) =   0.004%
          QB    ALA   88 - HG2   GLU- 100  20.29 +/- 1.61   0.252% *  0.7388% (0.90   0.02   0.02) =   0.003%
          QG2   THR   23 - HG2   GLU- 100  19.18 +/- 3.35   0.402% *  0.1630% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG2   GLU- 100  28.30 +/- 2.52   0.096% *  0.1834% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.09, residual support = 39.6:
          HG2   LYS+  99 - HG3   GLU- 100   3.02 +/- 0.89  70.121% * 96.8017% (0.45   4.10  39.72) =  99.801%  kept
          HG2   LYS+  38 - HG3   GLU- 100   9.07 +/- 3.05  18.094% *  0.5959% (0.57   0.02   0.02) =   0.159%  kept
          HB2   LEU   31 - HG3   GLU- 100  12.57 +/- 3.77  10.435% *  0.1843% (0.18   0.02   0.02) =   0.028%
          QG2   THR   77 - HG3   GLU- 100  19.01 +/- 1.94   0.383% *  1.0316% (0.98   0.02   0.02) =   0.006%
          QB    ALA   88 - HG3   GLU- 100  20.38 +/- 1.53   0.295% *  0.9439% (0.90   0.02   0.02) =   0.004%
          QG2   THR   23 - HG3   GLU- 100  19.55 +/- 3.48   0.560% *  0.2083% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG3   GLU- 100  28.12 +/- 2.57   0.113% *  0.2343% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.7:
      O   HA    GLU- 100 - HG3   GLU- 100   3.51 +/- 0.39  82.267% * 99.7364% (1.00  10.0   4.46  75.73) =  99.995%  kept
          HA    LYS+  38 - HG3   GLU- 100   8.22 +/- 2.79  16.574% *  0.0198% (0.20   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HG3   GLU- 100  21.15 +/- 4.43   0.610% *  0.1000% (1.00   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HG3   GLU- 100  25.46 +/- 3.89   0.318% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  26.99 +/- 3.15   0.231% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.3, residual support = 75.7:
          HN    GLU- 100 - HG3   GLU- 100   3.56 +/- 0.49 100.000% *100.0000% (0.97   4.30  75.73) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.49, residual support = 75.7:
          HN    GLU- 100 - HG2   GLU- 100   3.11 +/- 0.54 100.000% *100.0000% (0.84   6.49  75.73) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.83, residual support = 159.8:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.51 +/- 0.13  88.335% * 99.6342% (1.00  10.0   4.83 159.83) =  99.994%  kept
          HN    LYS+ 102 - HB    VAL   41   8.55 +/- 2.31   4.742% *  0.0448% (0.45   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HB    VAL   41   8.17 +/- 0.76   2.920% *  0.0272% (0.27   1.0   0.02   0.27) =   0.001%
          HN    GLU-  36 - QB    LYS+ 102  14.38 +/- 2.45   0.617% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB    VAL   41  11.14 +/- 1.27   1.158% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - QB    LYS+ 102  12.83 +/- 1.82   0.815% *  0.0606% (0.61   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  15.90 +/- 4.04   0.589% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  13.92 +/- 3.49   0.825% *  0.0290% (0.29   1.0   0.02   0.26) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 23.6:
          HN    ILE  103 - QB    LYS+ 102   3.06 +/- 0.40  91.909% * 98.9462% (1.00   5.46  23.56) =  99.987%  kept
          HN    ILE  103 - HB    VAL   41   9.47 +/- 1.89   4.918% *  0.1630% (0.45   0.02   0.02) =   0.009%
          HN    GLN   90 - QB    LYS+ 102  19.96 +/- 2.51   0.391% *  0.3431% (0.95   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  17.76 +/- 0.49   0.512% *  0.1908% (0.53   0.02   0.02) =   0.001%
          HN    GLN   90 - HB    VAL   41  18.29 +/- 1.61   0.535% *  0.1542% (0.43   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  18.41 +/- 1.60   0.538% *  0.0857% (0.24   0.02   0.02) =   0.001%
          HN    SER   82 - QB    LYS+ 102  20.48 +/- 4.01   0.438% *  0.0807% (0.22   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.06 +/- 3.81   0.759% *  0.0363% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 4.58, residual support = 159.3:
          HN    LYS+ 102 - HG2   LYS+ 102   3.53 +/- 0.40  88.110% * 95.8154% (0.73   4.59 159.83) =  99.664%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.66 +/- 1.49   7.545% *  3.6679% (0.38   0.34   0.02) =   0.327%  kept
          HN    GLU-  36 - HG2   LYS+ 102  15.76 +/- 3.19   1.583% *  0.3023% (0.53   0.02   0.02) =   0.006%
          HN    THR   39 - HG2   LYS+ 102  14.44 +/- 2.31   1.785% *  0.1006% (0.18   0.02   0.02) =   0.002%
          HD1   TRP   87 - HG2   LYS+ 102  18.18 +/- 4.69   0.978% *  0.1137% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.98 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 = 0.647, support = 0.02, residual support = 0.02:
        T QB    SER   85 - HA    ILE  103  17.06 +/- 3.01   5.369% * 19.9520% (0.90 10.00   0.02   0.02) =  26.690%  kept
        T QB    SER   48 - HA    ILE  103  20.92 +/- 2.98   3.427% * 19.2979% (0.87 10.00   0.02   0.02) =  16.479%  kept
        T QB    SER  117 - HA    ILE  103  15.11 +/- 2.68   7.393% *  7.5887% (0.34 10.00   0.02   0.02) =  13.979%  kept
        T HA2   GLY   51 - HA    ILE  103  25.70 +/- 3.30   1.828% * 13.4936% (0.61 10.00   0.02   0.02) =   6.147%  kept
        T HD2   PRO   52 - HA    ILE  103  23.38 +/- 4.03   4.155% *  5.5474% (0.25 10.00   0.02   0.02) =   5.743%  kept
          HB    THR   94 - HA    ILE  103  12.80 +/- 0.87  10.746% *  1.7002% (0.76  1.00   0.02   0.02) =   4.552%  kept
        T QB    SER   85 - HA    THR   39  22.79 +/- 2.41   2.189% *  6.5917% (0.30 10.00   0.02   0.02) =   3.595%  kept
          HA2   GLY   16 - HA    ILE  103  21.49 +/- 6.14   6.668% *  1.9952% (0.90  1.00   0.02   0.02) =   3.315%  kept
          HA    LYS+ 121 - HA    ILE  103  16.65 +/- 6.38   8.375% *  1.5282% (0.69  1.00   0.02   0.02) =   3.189%  kept
        T QB    SER   48 - HA    THR   39  23.88 +/- 2.76   1.908% *  6.3756% (0.29 10.00   0.02   0.02) =   3.031%  kept
          HA2   GLY   16 - HA    THR   39  15.18 +/- 6.52  13.909% *  0.6592% (0.30  1.00   0.02   0.02) =   2.284%  kept
          HA    LYS+  65 - HA    ILE  103  18.07 +/- 2.50   4.760% *  1.8582% (0.84  1.00   0.02   0.02) =   2.204%  kept
          HA    ALA  120 - HA    ILE  103  18.92 +/- 4.63   3.918% *  2.2050% (0.99  1.00   0.02   0.02) =   2.153%  kept
        T QB    SER  117 - HA    THR   39  20.67 +/- 3.04   3.054% *  2.5072% (0.11 10.00   0.02   0.02) =   1.908%  kept
          HA    LYS+  65 - HA    THR   39  14.56 +/- 1.77   8.265% *  0.6139% (0.28  1.00   0.02   0.02) =   1.264%  kept
        T HA2   GLY   51 - HA    THR   39  28.66 +/- 3.10   1.078% *  4.4580% (0.20 10.00   0.02   0.02) =   1.197%  kept
          HA    ALA  120 - HA    THR   39  21.82 +/- 5.69   3.899% *  0.7285% (0.33  1.00   0.02   0.02) =   0.708%  kept
          HA    LYS+ 121 - HA    THR   39  20.39 +/- 6.09   5.044% *  0.5049% (0.23  1.00   0.02   0.02) =   0.635%  kept
        T HD2   PRO   52 - HA    THR   39  27.25 +/- 3.08   1.149% *  1.8327% (0.08 10.00   0.02   0.02) =   0.525%  kept
          HB    THR   94 - HA    THR   39  20.02 +/- 0.98   2.868% *  0.5617% (0.25  1.00   0.02   0.02) =   0.401%  kept
    Distance limit 3.18 A violated in 20 structures by 5.70 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.61, residual support = 37.9:
      O   HN    LEU  104 - HA    ILE  103   2.30 +/- 0.17  96.654% * 99.8797% (0.92  10.0   6.61  37.87) =  99.999%  kept
          HN    PHE   72 - HA    THR   39   9.05 +/- 1.44   2.242% *  0.0217% (0.20   1.0   0.02   0.02) =   0.001%
          HN    PHE   72 - HA    ILE  103  13.65 +/- 1.19   0.528% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  13.03 +/- 1.39   0.576% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.351, support = 3.92, residual support = 37.3:
      O   HN    THR   39 - HA    THR   39   2.89 +/- 0.04  74.935% * 70.7408% (0.33  10.0   3.91  38.43) =  92.668%  kept
          HN    LYS+ 102 - HA    ILE  103   4.99 +/- 0.24  14.824% * 28.2310% (0.65   1.0   4.04  23.56) =   7.316%  kept
          HD1   TRP   87 - HA    ILE  103  13.98 +/- 4.07   1.043% *  0.2156% (1.00   1.0   0.02   4.39) =   0.004%
          HN    GLU-  36 - HA    THR   39   8.42 +/- 0.61   3.377% *  0.0596% (0.28   1.0   0.02   1.01) =   0.004%
          HN    THR   39 - HA    ILE  103  13.50 +/- 1.33   0.803% *  0.2141% (0.99   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - HA    ILE  103  17.23 +/- 3.85   0.874% *  0.1052% (0.49   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    ILE  103  16.08 +/- 1.80   0.479% *  0.1804% (0.84   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    THR   39  11.88 +/- 2.06   1.459% *  0.0462% (0.21   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    THR   39  20.33 +/- 3.05   0.271% *  0.0712% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  17.35 +/- 2.92   0.564% *  0.0333% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  15.74 +/- 1.70   0.535% *  0.0347% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  18.77 +/- 2.14   0.311% *  0.0428% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  17.55 +/- 2.29   0.406% *  0.0110% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.40 +/- 1.97   0.118% *  0.0141% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.29, residual support = 30.5:
        T QD1   LEU   98 - HA    ILE  103   2.94 +/- 0.51  93.330% * 99.6453% (0.41 10.00   4.29  30.51) =  99.994%  kept
          QG2   ILE   19 - HA    ILE  103  15.78 +/- 3.06   0.951% *  0.2418% (1.00  1.00   0.02   0.02) =   0.002%
          QG2   ILE   19 - HA    THR   39  12.76 +/- 2.64   1.994% *  0.0799% (0.33  1.00   0.02   0.02) =   0.002%
          QD1   LEU   98 - HA    THR   39  10.25 +/- 1.47   3.725% *  0.0329% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 2.81, residual support = 9.71:
          HN    ASP- 105 - QG2   ILE  103   2.70 +/- 0.71  80.648% * 28.6968% (0.38   2.58   3.24) =  68.136%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.35 +/- 0.45  15.285% * 70.7712% (0.73   3.29  23.56) =  31.847%  kept
          HD1   TRP   87 - QG2   ILE  103  11.22 +/- 3.28   2.379% *  0.1171% (0.20   0.02   4.39) =   0.008%
          HN    GLU-  36 - QG2   ILE  103  15.71 +/- 1.39   0.693% *  0.3113% (0.53   0.02   0.02) =   0.006%
          HN    THR   39 - QG2   ILE  103  13.51 +/- 0.97   0.996% *  0.1036% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.58, residual support = 37.9:
          HN    LEU  104 - QG2   ILE  103   2.55 +/- 0.51  98.868% * 99.9407% (0.90   6.58  37.87) =  99.999%  kept
          HN    PHE   72 - QG2   ILE  103  12.57 +/- 0.94   1.132% *  0.0593% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.73, residual support = 139.0:
      O   HN    ILE  103 - HB    ILE  103   2.23 +/- 0.16  99.245% * 99.8308% (1.00  10.0   6.73 138.98) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  17.78 +/- 2.52   0.237% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.04 +/- 1.06   0.333% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  19.70 +/- 3.83   0.185% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.217, support = 5.94, residual support = 134.8:
      O T HA    ILE  103 - HG12  ILE  103   2.36 +/- 0.31  89.980% * 56.2499% (0.20  10.0 10.00   5.98 138.98) =  95.830%  kept
          HA    LEU  104 - HG12  ILE  103   6.30 +/- 0.24   5.138% * 42.7286% (0.61   1.0  1.00   4.96  37.87) =   4.157%  kept
          HA    ASP-  86 - HG12  ILE  103  13.81 +/- 4.35   0.866% *  0.2251% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  14 - HG12  ILE  103  22.81 +/- 4.93   0.550% *  0.2251% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HG12  ILE  103  10.62 +/- 1.68   1.325% *  0.0927% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   12 - HG12  ILE  103  25.84 +/- 5.03   0.506% *  0.2236% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          HA    MET   11 - HG12  ILE  103  28.37 +/- 6.10   0.803% *  0.1011% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HG12  ILE  103  15.89 +/- 2.53   0.419% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HG12  ILE  103  16.16 +/- 3.19   0.414% *  0.0769% (0.27   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.91, residual support = 139.0:
          HN    ILE  103 - HG12  ILE  103   3.41 +/- 0.55  96.244% * 99.5118% (0.80   6.91 138.98) =  99.994%  kept
          HN    GLN   90 - HG12  ILE  103  16.40 +/- 2.47   1.163% *  0.2725% (0.76   0.02   0.02) =   0.003%
          HN    GLY  109 - HG12  ILE  103  14.72 +/- 1.28   1.548% *  0.1515% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  17.95 +/- 3.73   1.046% *  0.0641% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 139.0:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  97.982% * 99.2748% (0.58  10.0 10.00   4.30 138.98) =  99.998%  kept
          QG2   THR   94 - HG12  ILE  103   8.33 +/- 0.97   1.045% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   71 - HG12  ILE  103  14.80 +/- 2.20   0.211% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.16 +/- 1.34   0.612% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  20.29 +/- 2.07   0.070% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  19.99 +/- 2.61   0.080% *  0.0513% (0.30   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 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.598, support = 5.06, residual support = 139.0:
      O T QG2   ILE  103 - HG12  ILE  103   2.77 +/- 0.31  32.204% * 66.7776% (0.80  10.0 10.00   5.48 138.98) =  50.870%  kept
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.02  63.746% * 32.5765% (0.39  10.0 10.00   4.62 138.98) =  49.122%  kept
          QD2   LEU   40 - HG12  ILE  103   7.41 +/- 1.32   2.145% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU   71 - HG12  ILE  103  13.03 +/- 1.83   0.329% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - HG12  ILE  103  12.13 +/- 2.73   0.820% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  103  17.44 +/- 2.40   0.188% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  12.75 +/- 1.82   0.356% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.95 +/- 3.06   0.210% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.75, residual support = 30.5:
          QD1   LEU   98 - HG12  ILE  103   2.73 +/- 0.61  98.931% * 99.7496% (0.72   5.75  30.51) =  99.997%  kept
          QG2   ILE   19 - HG12  ILE  103  15.85 +/- 2.99   1.069% *  0.2504% (0.52   0.02   0.02) =   0.003%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.747, support = 4.08, residual support = 139.0:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.02  57.416% * 82.5087% (0.84  10.0   3.97 138.98) =  86.701%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.49 +/- 0.46  42.002% * 17.2996% (0.18  10.0   4.83 138.98) =  13.298%  kept
          QD2   LEU   71 - HG13  ILE  103  13.49 +/- 1.65   0.264% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  16.04 +/- 2.93   0.176% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.58 +/- 2.29   0.142% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 2.41, residual support = 30.5:
          QD1   LEU   98 - HG13  ILE  103   3.07 +/- 0.68  99.068% * 99.4043% (0.90   2.41  30.51) =  99.994%  kept
          QG2   ILE   19 - HG13  ILE  103  16.25 +/- 3.20   0.932% *  0.5957% (0.65   0.02   0.02) =   0.006%
    Distance limit 3.66 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   ILE  103  13.09 +/- 3.05  28.304% * 30.1124% (0.77   0.02   0.02) =  35.740%  kept
          HH2   TRP   49 - QD1   ILE  103  17.75 +/- 4.05  15.906% * 34.7918% (0.89   0.02   0.02) =  23.207%  kept
          HD1   TRP   27 - QD1   ILE  103  13.07 +/- 3.16  28.801% * 17.5479% (0.45   0.02   0.02) =  21.193%  kept
          QD    PHE   59 - QD1   ILE  103  12.90 +/- 1.54  26.989% * 17.5479% (0.45   0.02   0.02) =  19.860%  kept
    Distance limit 4.09 A violated in 19 structures by 5.56 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.544, support = 0.924, residual support = 4.33:
          HE3   TRP   87 - QD1   ILE  103   6.92 +/- 4.93  45.954% * 58.1098% (0.52   1.01   4.39) =  84.610%  kept
          HN    TRP   87 - QD1   ILE  103  10.00 +/- 3.65  11.796% * 37.7006% (0.67   0.51   4.39) =  14.091%  kept
          HN    GLN   17 - QD1   ILE  103  18.52 +/- 4.57   8.759% *  1.7684% (0.80   0.02   0.02) =   0.491%  kept
          HD21  ASN   69 - QD1   ILE  103  15.39 +/- 2.36   9.430% *  1.4004% (0.63   0.02   0.02) =   0.418%  kept
          HN    ALA   61 - QD1   ILE  103  15.57 +/- 2.01  12.257% *  0.5668% (0.26   0.02   0.02) =   0.220%  kept
          HN    ALA   91 - QD1   ILE  103  13.71 +/- 2.28  11.805% *  0.4539% (0.21   0.02   0.02) =   0.170%  kept
    Distance limit 3.73 A violated in 8 structures by 2.26 A, kept.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.67, residual support = 139.0:
          HN    ILE  103 - QD1   ILE  103   2.92 +/- 0.81  93.422% * 99.4059% (0.92   5.67 138.98) =  99.985%  kept
          HN    GLN   90 - QD1   ILE  103  13.18 +/- 2.44   2.279% *  0.3316% (0.87   0.02   0.02) =   0.008%
          HN    GLY  109 - QD1   ILE  103  12.14 +/- 1.21   2.568% *  0.1844% (0.49   0.02   0.02) =   0.005%
          HN    SER   82 - QD1   ILE  103  14.65 +/- 3.42   1.731% *  0.0780% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.723, support = 5.39, residual support = 138.2:
      O   HA    ILE  103 - HG13  ILE  103   3.00 +/- 0.39  81.866% * 92.0197% (0.73  10.0   5.40 138.98) =  99.206%  kept
          HA    LEU  104 - HG13  ILE  103   6.64 +/- 0.53   8.291% *  7.1636% (0.28   1.0   4.07  37.87) =   0.782%  kept
          HA    ASP-  44 - HG13  ILE  103  10.51 +/- 1.59   3.017% *  0.1136% (0.90   1.0   0.02   0.02) =   0.005%
          HA    ASP-  86 - HG13  ILE  103  13.35 +/- 4.27   2.018% *  0.0920% (0.73   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HG13  ILE  103  15.55 +/- 2.47   1.036% *  0.1058% (0.84   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HG13  ILE  103  15.61 +/- 3.23   0.972% *  0.1058% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HG13  ILE  103  29.06 +/- 6.11   0.397% *  0.1170% (0.92   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG13  ILE  103  23.49 +/- 4.97   0.412% *  0.0820% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  14.73 +/- 1.64   0.850% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  26.58 +/- 5.01   0.293% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  19.63 +/- 2.87   0.451% *  0.0432% (0.34   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.45 +/- 3.51   0.396% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 6.22, residual support = 139.0:
          HN    ILE  103 - HG13  ILE  103   3.64 +/- 0.64  94.814% * 99.4585% (1.00   6.23 138.98) =  99.989%  kept
          HN    GLN   90 - HG13  ILE  103  15.90 +/- 2.47   1.736% *  0.3023% (0.95   0.02   0.02) =   0.006%
          HN    GLY  109 - HG13  ILE  103  14.11 +/- 1.30   2.275% *  0.1681% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  17.57 +/- 3.60   1.175% *  0.0711% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.04 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 = 6.49, residual support = 138.9:
          HN    ILE  103 - QG2   ILE  103   3.59 +/- 0.10  92.213% * 99.2546% (0.69   6.49 138.98) =  99.977%  kept
          HN    GLY  109 - QG2   ILE  103  10.95 +/- 0.75   3.386% *  0.4296% (0.97   0.02   0.02) =   0.016%
          HN    GLN   90 - QG2   ILE  103  14.22 +/- 1.80   1.738% *  0.2167% (0.49   0.02   0.02) =   0.004%
          HE1   HIS   22 - QG2   ILE  103  18.81 +/- 4.11   2.662% *  0.0991% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.64 A violated in 0 structures by 0.02 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   4.45 +/- 0.17  96.561% * 98.7667% (0.38   4.78  23.56) =  99.982%  kept
          HA    ALA   20 - HB    ILE  103  20.71 +/- 3.00   1.241% *  1.0156% (0.92   0.02   0.02) =   0.013%
          HA    LEU   71 - HB    ILE  103  16.75 +/- 1.68   2.198% *  0.2177% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.16 A violated in 0 structures by 0.28 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.66, residual support = 15.9:
        T HB2   PHE   97 - HB2   LEU  104   3.32 +/- 0.85  64.374% * 92.9945% (0.82 10.00   4.71  16.15) =  98.619%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.95 +/- 1.26  11.135% *  5.1574% (0.78  1.00   1.17   0.11) =   0.946%  kept
          HB3   TRP   27 - HB2   LEU  104  15.63 +/- 5.09  14.903% *  1.7522% (0.80  1.00   0.39   1.83) =   0.430%  kept
          QE    LYS+  99 - HB2   LEU  104   7.12 +/- 0.94   8.292% *  0.0245% (0.22  1.00   0.02  17.37) =   0.003%
          HB3   PHE   60 - HB2   LEU  104  15.07 +/- 3.39   1.296% *  0.0714% (0.63  1.00   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.36, residual support = 35.9:
          HN    ASP- 105 - HB2   LEU  104   2.70 +/- 0.40  99.655% * 99.8754% (0.82   6.36  35.90) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  19.00 +/- 2.58   0.345% *  0.1246% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 216.0:
      O   HN    LEU  104 - HB2   LEU  104   2.75 +/- 0.36  98.689% * 99.7579% (0.36  10.0   7.38 216.03) =  99.997%  kept
          HN    PHE   72 - HB2   LEU  104  13.19 +/- 1.48   1.311% *  0.2421% (0.87   1.0   0.02   0.02) =   0.003%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.87, residual support = 216.0:
      O   HN    LEU  104 - HB3   LEU  104   3.58 +/- 0.22  98.283% * 99.9343% (0.71  10.0   6.87 216.03) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  14.51 +/- 1.58   1.717% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.43, residual support = 216.0:
          HN    LEU  104 - HG    LEU  104   2.68 +/- 0.62  98.810% * 99.8235% (0.92   7.43 216.03) =  99.998%  kept
          HN    PHE   72 - HG    LEU  104  13.48 +/- 1.53   1.190% *  0.1765% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.69, residual support = 17.3:
          HN    LYS+  99 - HG    LEU  104   3.67 +/- 0.75  84.674% * 96.7280% (0.98   1.69  17.37) =  99.833%  kept
          HE1   HIS  122 - HG    LEU  104  13.26 +/- 7.22   8.079% *  1.1653% (1.00   0.02   0.02) =   0.115%  kept
          HN    GLN   30 - HG    LEU  104  15.98 +/- 4.43   4.887% *  0.5236% (0.45   0.02   0.92) =   0.031%
          HN    GLU-  14 - HG    LEU  104  21.95 +/- 5.24   0.988% *  1.1448% (0.98   0.02   0.02) =   0.014%
          HN    ASP-  86 - HG    LEU  104  19.36 +/- 3.60   1.373% *  0.4383% (0.38   0.02   0.02) =   0.007%
    Distance limit 4.15 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.376, support = 6.62, residual support = 199.8:
          HN    LEU  104 - QD1   LEU  104   3.58 +/- 0.64  59.021% * 73.9792% (0.40   6.87 216.03) =  90.690%  kept
          HN    PHE   72 - QD1   LEU   73   6.17 +/- 1.08  18.310% * 22.0323% (0.18   4.58  44.33) =   8.379%  kept
          HN    PHE   72 - QD1   LEU   63   7.42 +/- 1.36  12.624% *  3.3864% (0.18   0.70  15.53) =   0.888%  kept
          HN    PHE   72 - QD1   LEU  104  10.46 +/- 1.51   3.493% *  0.5227% (0.96   0.02   0.02) =   0.038%
          HN    LEU  104 - QD1   LEU   63  11.28 +/- 2.30   3.724% *  0.0397% (0.07   0.02   0.02) =   0.003%
          HN    LEU  104 - QD1   LEU   73  12.35 +/- 2.56   2.828% *  0.0397% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.1, residual support = 17.3:
        T HB2   LYS+  99 - QD1   LEU  104   2.54 +/- 0.86  56.393% * 96.7560% (0.40 10.00   3.12  17.37) =  99.571%  kept
        T HB    VAL   43 - QD1   LEU  104   9.56 +/- 2.16  13.497% *  1.2382% (0.51 10.00   0.02   0.02) =   0.305%  kept
          HB    VAL   43 - QD1   LEU   73   6.81 +/- 2.38  14.690% *  0.3881% (0.09  1.00   0.34   2.53) =   0.104%  kept
        T HB    ILE   89 - QD1   LEU  104  16.04 +/- 2.38   0.415% *  1.0552% (0.43 10.00   0.02   0.02) =   0.008%
          HB    VAL   43 - QD1   LEU   63   9.37 +/- 2.85  10.892% *  0.0228% (0.09  1.00   0.02   0.02) =   0.005%
        T HB2   LYS+  99 - QD1   LEU   63  11.75 +/- 1.96   1.227% *  0.1782% (0.07 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  99 - QD1   LEU   73  12.88 +/- 2.12   0.586% *  0.1782% (0.07 10.00   0.02   0.02) =   0.002%
          HB    ILE   89 - QD1   LEU   73  11.59 +/- 2.23   0.967% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  19.83 +/- 2.20   0.171% *  0.1055% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.80 +/- 1.86   0.462% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  14.57 +/- 2.85   0.446% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.94 +/- 2.95   0.254% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.877, support = 2.17, residual support = 17.5:
          HB2   LYS+  99 - QD2   LEU  104   2.79 +/- 1.35  50.402% * 81.2571% (0.90  1.00   2.20  17.37) =  95.370%  kept
        T HB    VAL   43 - QD2   LEU  104  10.16 +/- 2.33  11.625% *  7.9521% (0.97 10.00   0.02   0.02) =   2.153%  kept
          HB3   GLN   17 - QG2   VAL   18   5.19 +/- 1.18  11.620% *  6.5158% (0.04  1.00   4.13  50.42) =   1.763%  kept
          HB2   LYS+  99 - QG1   VAL   41   5.87 +/- 2.03  18.455% *  1.3776% (0.05  1.00   0.69   0.02) =   0.592%  kept
        T HB    VAL   43 - QG2   VAL   18  12.87 +/- 5.91   3.365% *  1.2219% (0.15 10.00   0.02   0.02) =   0.096%
        T HB    VAL   43 - QG1   VAL   41   7.63 +/- 0.60   2.151% *  0.4271% (0.05 10.00   0.02   1.46) =   0.021%
          QD    LYS+  81 - QD2   LEU  104  20.04 +/- 2.36   0.120% *  0.7606% (0.92  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QD2   LEU  104  17.15 +/- 4.12   0.268% *  0.2055% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  15.42 +/- 3.26   0.378% *  0.1136% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  19.07 +/- 6.09   0.229% *  0.1169% (0.14  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   41  13.47 +/- 4.68   1.210% *  0.0110% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  17.24 +/- 2.07   0.179% *  0.0409% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.23, residual support = 41.0:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  93.175% * 76.6645% (0.72  10.0 10.00   3.22  41.18) =  98.843%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.18 +/- 0.36   3.748% * 22.2409% (0.93   1.0  1.00   4.52  21.95) =   1.154%  kept
          HB    ILE  103 - HB2   ASP- 105   8.27 +/- 0.54   0.922% *  0.0689% (0.65   1.0  1.00   0.02   3.24) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  16.99 +/- 1.04   0.106% *  0.3765% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   ASP- 105  14.09 +/- 3.10   0.422% *  0.0870% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   ASP- 105  20.27 +/- 4.38   0.444% *  0.0728% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  16.42 +/- 3.86   0.208% *  0.0649% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  17.11 +/- 3.35   0.205% *  0.0528% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  15.50 +/- 4.28   0.448% *  0.0223% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.34 +/- 2.61   0.113% *  0.0870% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.41 +/- 1.91   0.092% *  0.0728% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.55 +/- 2.22   0.063% *  0.0968% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  21.44 +/- 1.33   0.053% *  0.0926% (0.87   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 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.64, residual support = 5.42:
        T QG2   THR  118 - HB2   ASP- 105   5.57 +/- 4.04 100.000% *100.0000% (0.54 10.00   1.64   5.42) = 100.000%  kept
    Distance limit 3.36 A violated in 7 structures by 2.53 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 2.4, residual support = 5.42:
        T QG2   THR  118 - HB3   ASP- 105   5.86 +/- 4.18 100.000% *100.0000% (0.57 10.00   2.40   5.42) = 100.000%  kept
    Distance limit 3.57 A violated in 6 structures by 2.48 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.887, support = 4.75, residual support = 54.8:
          HB2   PHE   97 - HB2   ASP- 105   3.58 +/- 0.74  72.948% * 56.0245% (0.89   4.90  60.75) =  84.791%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.61 +/- 0.75  17.067% * 42.7557% (0.85   3.95  21.95) =  15.139%  kept
          HB3   TRP   27 - HB2   ASP- 105  17.41 +/- 4.02   2.498% *  0.9841% (0.87   0.09   0.02) =   0.051%
          HB3   PHE   60 - HB2   ASP- 105  13.26 +/- 2.89   3.767% *  0.1754% (0.69   0.02   0.02) =   0.014%
          QE    LYS+  99 - HB2   ASP- 105  10.70 +/- 1.02   3.720% *  0.0602% (0.24   0.02   0.34) =   0.005%
    Distance limit 4.02 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.847, support = 3.7, residual support = 59.0:
        T HB2   PHE   97 - HB3   ASP- 105   2.85 +/- 0.54  82.083% * 67.7091% (0.87 10.00   3.71  60.75) =  95.465%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   7.08 +/- 0.81   8.214% * 32.0903% (0.41 10.00   3.62  21.95) =   4.528%  kept
          QE    LYS+  99 - HB3   ASP- 105   9.66 +/- 0.99   3.431% *  0.0567% (0.73  1.00   0.02   0.34) =   0.003%
          HB3   TRP   27 - HB3   ASP- 105  16.87 +/- 4.28   1.347% *  0.0700% (0.90  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HB3   ASP- 105  10.41 +/- 1.20   2.374% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  13.37 +/- 2.90   1.870% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HB3   ASP- 105  16.05 +/- 1.70   0.682% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.17, residual support = 41.2:
      O T HA    ASP- 105 - HB3   ASP- 105   2.93 +/- 0.12  92.561% * 99.8608% (0.87  10.0 10.00   3.17  41.18) =  99.996%  kept
          HB    THR   23 - HB3   ASP- 105  22.39 +/- 6.26   4.891% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HA    THR   23 - HB3   ASP- 105  21.55 +/- 5.60   2.295% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB3   ASP- 105  21.81 +/- 2.09   0.253% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.54, residual support = 41.2:
      O   HN    ASP- 105 - HB3   ASP- 105   2.84 +/- 0.25  99.593% * 99.9603% (0.95  10.0   4.54  41.18) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  18.62 +/- 2.02   0.407% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 3.8, residual support = 21.9:
          HN    LYS+ 106 - HB3   ASP- 105   3.87 +/- 0.40  92.672% * 99.5384% (0.18   3.80  21.95) =  99.963%  kept
          HN    VAL   41 - HB3   ASP- 105  10.13 +/- 1.34   7.328% *  0.4616% (0.15   0.02   0.02) =   0.037%
    Distance limit 3.96 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.6, residual support = 60.7:
          QD    PHE   97 - HB2   ASP- 105   3.47 +/- 0.52  90.219% * 99.3493% (0.87   3.61  60.75) =  99.972%  kept
          HZ3   TRP   87 - HB2   ASP- 105  13.36 +/- 5.01   3.075% *  0.5178% (0.82   0.02   0.02) =   0.018%
          HE3   TRP   49 - HB2   ASP- 105  21.24 +/- 4.52   6.706% *  0.1329% (0.21   0.02   0.02) =   0.010%
    Distance limit 4.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.63, residual support = 41.2:
      O   HN    ASP- 105 - HB2   ASP- 105   3.52 +/- 0.34  99.172% * 99.9603% (0.89  10.0   4.63  41.18) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  18.35 +/- 2.15   0.828% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 3.76, residual support = 21.9:
          HN    LYS+ 106 - HB2   ASP- 105   2.95 +/- 0.44  96.866% * 99.5340% (0.17   3.76  21.95) =  99.985%  kept
          HN    VAL   41 - HB2   ASP- 105  11.10 +/- 1.62   3.134% *  0.4660% (0.15   0.02   0.02) =   0.015%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.06, residual support = 2.13:
        T HA    MET   96 - HA    LYS+ 106   2.90 +/- 0.59  98.167% * 99.9188% (0.87 10.00   1.06   2.13) =  99.998%  kept
          HA    PHE   72 - HA    LYS+ 106  13.39 +/- 2.19   1.833% *  0.0812% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.447, support = 4.1, residual support = 10.7:
          QD    PHE   97 - HA    LYS+ 106   3.98 +/- 1.25  78.351% * 93.6149% (0.45   4.17  10.88) =  98.150%  kept
          HZ3   TRP   87 - HA    LYS+ 106  10.45 +/- 4.93  21.649% *  6.3851% (0.38   0.34   0.02) =   1.850%  kept
    Distance limit 3.93 A violated in 3 structures by 0.46 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.02, residual support = 10.8:
          HN    PHE   97 - HA    LYS+ 106   3.36 +/- 0.47  93.908% * 90.8658% (0.90   3.03  10.88) =  99.545%  kept
          HN    LEU  115 - HA    LYS+ 106  10.35 +/- 1.65   4.323% *  8.9484% (0.90   0.30   0.02) =   0.451%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.60 +/- 1.33   1.768% *  0.1858% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 135.5:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.90 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.17 135.46) = 100.000%  kept
    Distance limit 3.62 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 = 26.4:
      O   HN    VAL  107 - HA    LYS+ 106   2.24 +/- 0.08  99.353% * 99.8992% (0.99  10.0   4.58  26.36) =  99.999%  kept
          HN    GLY   51 - HA    LYS+ 106  19.10 +/- 3.36   0.647% *  0.1008% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 2.83 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 = 5.39, residual support = 135.5:
      O   HN    LYS+ 106 - QB    LYS+ 106   2.86 +/- 0.34  98.022% * 99.9120% (0.18  10.0   5.39 135.46) =  99.998%  kept
          HN    VAL   41 - QB    LYS+ 106  11.54 +/- 1.14   1.978% *  0.0880% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.61 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 = 5.13, residual support = 26.4:
          HN    VAL  107 - QB    LYS+ 106   3.21 +/- 0.25  96.928% * 99.6079% (0.99   5.13  26.36) =  99.988%  kept
          HN    GLY   51 - QB    LYS+ 106  17.90 +/- 3.42   3.072% *  0.3921% (1.00   0.02   0.02) =   0.012%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.606, support = 5.93, residual support = 135.3:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.43 +/- 0.10  87.505% * 94.0497% (0.61  10.0 10.00   5.93 135.46) =  99.919%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.32 +/- 0.84   3.516% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.048%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.33 +/- 1.12   0.953% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+  65 - QB    LYS+ 106  17.35 +/- 2.81   0.420% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QB    LYS+ 106  18.50 +/- 1.78   0.222% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QB    LYS+ 106  10.40 +/- 0.85   1.184% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QB    LYS+ 106  12.01 +/- 5.11   1.876% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 106  14.29 +/- 2.77   0.745% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QB    LYS+ 106  13.36 +/- 1.78   0.784% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QB    LYS+ 106  22.07 +/- 3.76   0.272% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.63 +/- 1.41   1.733% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.74 +/- 1.69   0.384% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  15.72 +/- 2.90   0.405% *  0.0431% (0.28   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 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.7, residual support = 5.86:
          QG2   VAL  108 - QB    LYS+ 106   3.26 +/- 0.27  86.712% * 89.5636% (1.00   2.72   5.92) =  99.023%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.48 +/- 0.32   7.685% *  9.7070% (0.98   0.30   0.11) =   0.951%  kept
          QD1   ILE  119 - QB    LYS+ 106  10.99 +/- 1.89   2.856% *  0.5042% (0.76   0.02   0.02) =   0.018%
          HG3   LYS+ 112 - QB    LYS+ 106  12.78 +/- 2.27   2.747% *  0.2251% (0.34   0.02   0.02) =   0.008%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 4.3, residual support = 24.1:
          QG2   VAL  107 - QB    LYS+ 106   5.11 +/- 0.40  26.412% * 93.4271% (0.76   4.63  26.36) =  91.398%  kept
          QG2   THR   94 - QB    LYS+ 106   4.50 +/- 0.58  39.407% *  5.5015% (0.28   0.75   0.02) =   8.030%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.64 +/- 1.19  26.147% *  0.5265% (1.00   0.02   0.02) =   0.510%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  12.50 +/- 4.89   4.247% *  0.2776% (0.53   0.02   0.02) =   0.044%
          HB3   LYS+ 112 - QB    LYS+ 106  13.56 +/- 1.82   1.831% *  0.1629% (0.31   0.02   0.02) =   0.011%
          QB    ALA   20 - QB    LYS+ 106  15.74 +/- 2.49   1.956% *  0.1044% (0.20   0.02   0.02) =   0.008%
    Distance limit 3.66 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.135, support = 5.69, residual support = 109.2:
          HN    LYS+  81 - QG    LYS+  81   2.59 +/- 0.49  84.345% * 63.5920% (0.13   5.76 110.64) =  98.732%  kept
          QE    PHE   95 - HG2   LYS+ 106  10.08 +/- 1.45   4.369% *  9.8050% (0.34   0.34   0.02) =   0.789%  kept
          HE3   TRP   27 - QG    LYS+  81  15.99 +/- 5.68   0.870% * 10.9720% (0.47   0.28   0.02) =   0.176%  kept
          HN    THR   23 - QG    LYS+  81  16.23 +/- 8.19   1.363% *  5.5230% (0.25   0.26   0.02) =   0.139%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.71 +/- 0.99   3.120% *  1.6272% (0.98   0.02   0.02) =   0.093%
          HN    THR   23 - HG2   LYS+  33  12.81 +/- 1.55   0.999% *  0.8734% (0.53   0.02   0.02) =   0.016%
          HE3   TRP   27 - HG2   LYS+ 106  15.30 +/- 2.69   0.762% *  0.9868% (0.59   0.02   0.02) =   0.014%
          QD    PHE   55 - HG2   LYS+ 106  16.97 +/- 2.25   0.461% *  0.9524% (0.57   0.02   0.02) =   0.008%
          QE    PHE   95 - QG    LYS+  81  14.96 +/- 2.08   0.654% *  0.4500% (0.27   0.02   0.02) =   0.005%
          QD    PHE   55 - QG    LYS+  81  19.63 +/- 3.36   0.384% *  0.7518% (0.45   0.02   0.02) =   0.005%
          QE    PHE   95 - HG2   LYS+  33  19.32 +/- 1.97   0.283% *  0.9398% (0.57   0.02   0.02) =   0.005%
          HN    LEU   67 - HG2   LYS+  33  16.03 +/- 2.91   0.710% *  0.3285% (0.20   0.02   0.02) =   0.004%
          QD    PHE   55 - HG2   LYS+  33  24.55 +/- 2.71   0.148% *  1.5703% (0.95   0.02   0.02) =   0.004%
          HN    THR   23 - HG2   LYS+ 106  20.32 +/- 3.66   0.339% *  0.5297% (0.32   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+  33  22.82 +/- 6.05   0.256% *  0.4616% (0.28   0.02   0.02) =   0.002%
          HN    LYS+  81 - HG2   LYS+ 106  19.83 +/- 2.89   0.294% *  0.2799% (0.17   0.02   0.02) =   0.002%
          HN    LEU   67 - HG2   LYS+ 106  17.56 +/- 2.81   0.366% *  0.1992% (0.12   0.02   0.02) =   0.001%
          HN    LEU   67 - QG    LYS+  81  20.58 +/- 2.48   0.277% *  0.1573% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.272, support = 0.635, residual support = 1.25:
          HN    GLU-  79 - QG    LYS+  81   6.01 +/- 0.91  57.760% * 78.9629% (0.27   0.65   1.28) =  98.023%  kept
          HN    VAL   70 - HG2   LYS+  33  13.35 +/- 2.43   8.543% *  4.3813% (0.49   0.02   0.02) =   0.804%  kept
          HN    THR   94 - HG2   LYS+ 106  10.52 +/- 1.82  15.799% *  1.0803% (0.12   0.02   0.02) =   0.367%  kept
          HN    VAL   70 - HG2   LYS+ 106  17.01 +/- 2.07   3.458% *  2.6571% (0.30   0.02   0.02) =   0.197%  kept
          HN    GLU-  79 - HG2   LYS+  33  21.59 +/- 4.26   1.730% *  5.0960% (0.57   0.02   0.02) =   0.189%  kept
          HN    GLU-  79 - HG2   LYS+ 106  18.94 +/- 2.25   2.413% *  3.0906% (0.34   0.02   0.02) =   0.160%  kept
          HN    THR   94 - QG    LYS+  81  12.95 +/- 1.53   7.338% *  0.8528% (0.09   0.02   0.02) =   0.134%  kept
          HN    VAL   70 - QG    LYS+  81  20.95 +/- 1.89   1.526% *  2.0977% (0.23   0.02   0.02) =   0.069%
          HN    THR   94 - HG2   LYS+  33  21.54 +/- 1.79   1.434% *  1.7813% (0.20   0.02   0.02) =   0.055%
    Distance limit 4.02 A violated in 13 structures by 1.86 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.5:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.69 +/- 0.56  97.146% * 99.8764% (0.18  10.0   5.66 135.46) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+  65  17.22 +/- 2.89   0.839% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+ 102  13.08 +/- 1.11   1.611% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.30 +/- 1.68   0.404% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 4.18, residual support = 41.4:
        T HB2   PHE   95 - HB    VAL  107   2.28 +/- 0.42 100.000% *100.0000% (0.69 10.00   4.18  41.37) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.19, residual support = 60.1:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.02  96.184% * 99.7352% (0.72  10.0 10.00   3.19  60.10) =  99.998%  kept
          HG2   LYS+ 121 - HB    VAL  107  12.28 +/- 3.70   0.881% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    VAL  107  10.44 +/- 1.09   0.908% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.70 +/- 2.10   1.536% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  15.88 +/- 2.63   0.321% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.08 +/- 1.77   0.170% *  0.0176% (0.13   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 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 +/- 0.01  96.157% * 99.5954% (0.71  10.0 10.00   3.90  60.10) =  99.997%  kept
          HD3   LYS+ 112 - HB    VAL  107   9.99 +/- 1.78   1.451% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - HB    VAL  107  16.68 +/- 2.57   0.281% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    VAL  107  17.21 +/- 3.44   0.429% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL  107   9.70 +/- 2.10   1.513% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.08 +/- 1.77   0.169% *  0.0253% (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 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.662, support = 0.805, residual support = 3.38:
          QD2   LEU  115 - HB    VAL  107   6.02 +/- 1.91  34.944% * 34.8503% (0.67   0.75   6.33) =  51.546%  kept
          QD1   LEU   63 - HB    VAL  107   8.19 +/- 2.79  20.438% * 47.2602% (0.71   0.96   0.24) =  40.883%  kept
          QD2   LEU   63 - HB    VAL  107   8.93 +/- 2.93  15.702% *  8.5136% (0.33   0.38   0.24) =   5.658%  kept
          QG1   VAL   83 - HB    VAL  107  13.48 +/- 1.68   3.285% *  6.7947% (0.18   0.54   0.02) =   0.945%  kept
          QD1   LEU   73 - HB    VAL  107  12.01 +/- 3.50  15.946% *  0.9868% (0.71   0.02   0.02) =   0.666%  kept
          QD1   LEU  104 - HB    VAL  107   9.98 +/- 0.91   7.559% *  0.6915% (0.50   0.02   0.02) =   0.221%  kept
          QD2   LEU   80 - HB    VAL  107  15.39 +/- 2.07   2.126% *  0.9029% (0.65   0.02   0.02) =   0.081%
    Distance limit 4.04 A violated in 7 structures by 0.96 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.61, residual support = 41.4:
          QD    PHE   95 - HB    VAL  107   2.88 +/- 0.66  93.594% * 99.8228% (0.63   3.61  41.37) =  99.988%  kept
          HN    ALA   47 - HB    VAL  107  12.27 +/- 2.20   6.406% *  0.1772% (0.20   0.02   0.02) =   0.012%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.323, support = 1.68, residual support = 4.98:
          QD    PHE   97 - HB    VAL  107   5.45 +/- 1.35  79.847% * 85.9034% (0.33   1.73   5.19) =  96.023%  kept
          HZ3   TRP   87 - HB    VAL  107  12.82 +/- 3.81  20.153% * 14.0966% (0.27   0.34   0.02) =   3.977%  kept
    Distance limit 3.86 A violated in 8 structures by 1.49 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   2.38 +/- 0.15  99.403% * 99.8992% (0.72  10.0   3.33  60.10) =  99.999%  kept
          HN    GLY   51 - HB    VAL  107  16.01 +/- 2.69   0.597% *  0.1008% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.12, residual support = 41.4:
          HN    PHE   95 - HB    VAL  107   3.51 +/- 0.67 100.000% *100.0000% (0.47   3.12  41.37) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.34, residual support = 60.1:
      O   QG2   VAL  107 - QG1   VAL  107   2.05 +/- 0.05  78.909% * 99.3136% (0.99  10.0  1.00   4.34  60.10) =  99.986%  kept
        T HG13  ILE  119 - QG1   VAL  107   7.46 +/- 1.78   2.765% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+ 121 - QG1   VAL  107   9.52 +/- 3.36   1.683% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG2   VAL   24  21.15 +/- 7.18   6.957% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - QG2   VAL   24   7.74 +/- 2.11   5.944% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QG1   VAL  107   9.98 +/- 0.96   0.764% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  16.40 +/- 1.41   0.166% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.17 +/- 2.37   0.335% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  14.46 +/- 2.50   0.407% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  14.36 +/- 2.87   0.353% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.48 +/- 0.84   1.283% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  18.94 +/- 5.55   0.435% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.646, support = 3.89, residual support = 59.9:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.01  70.362% * 97.9481% (0.65  10.0 10.00   3.90  60.10) =  99.749%  kept
          QE    LYS+ 112 - QG1   VAL  107   7.15 +/- 1.78  13.344% *  1.2596% (0.25   1.0  1.00   0.67   0.02) =   0.243%  kept
          QG    GLU-  79 - QG2   VAL   24  10.52 +/- 6.01  10.626% *  0.0301% (0.20   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLN  116 - QG1   VAL  107   7.22 +/- 1.39   2.204% *  0.0265% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL  107 - QG2   VAL   24  16.68 +/- 2.57   0.201% *  0.2328% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   9.65 +/- 1.39   0.907% *  0.0378% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24   9.78 +/- 1.01   0.818% *  0.0359% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  17.48 +/- 3.65   0.296% *  0.0897% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  16.35 +/- 1.54   0.172% *  0.1265% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.04 +/- 1.51   0.105% *  0.1511% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.40 +/- 1.26   0.161% *  0.0378% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  13.60 +/- 2.91   0.438% *  0.0090% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  16.73 +/- 2.76   0.188% *  0.0090% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  20.91 +/- 5.09   0.180% *  0.0063% (0.04   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 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 3.19, residual support = 60.1:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.02  80.815% * 99.2330% (0.65  10.0 10.00   3.19  60.10) =  99.928%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.76 +/- 2.17  14.682% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.070%
          HB2   GLN  116 - QG2   VAL  107   7.55 +/- 1.49   2.328% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG2   VAL  107   8.82 +/- 1.47   1.629% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL  107  15.67 +/- 1.44   0.239% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  18.86 +/- 1.54   0.126% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  16.69 +/- 1.27   0.181% *  0.0382% (0.25   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 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.649, support = 1.72, residual support = 4.92:
        T QB    GLU- 114 - QG2   VAL  107   4.17 +/- 2.00  44.464% * 96.9255% (0.65 10.00   1.74   4.97) =  99.086%  kept
          HB2   LYS+ 111 - QG2   VAL  107   6.81 +/- 2.15  17.860% *  1.8045% (0.99  1.00   0.21   0.02) =   0.741%  kept
        T HB    ILE  119 - QG2   VAL  107   8.10 +/- 2.01  17.967% *  0.3022% (0.18 10.00   0.02   0.02) =   0.125%  kept
          HB3   PRO   68 - QG2   VAL  107  15.34 +/- 2.30   3.445% *  0.1382% (0.80  1.00   0.02   0.02) =   0.011%
          QB    GLU-  15 - QG2   VAL  107  18.73 +/- 2.84   2.256% *  0.1726% (1.00  1.00   0.02   0.02) =   0.009%
          HG2   PRO   68 - QG2   VAL  107  14.23 +/- 2.93   4.413% *  0.0840% (0.49  1.00   0.02   0.02) =   0.009%
          HB2   GLN   17 - QG2   VAL  107  18.09 +/- 2.93   1.649% *  0.1726% (1.00  1.00   0.02   0.02) =   0.007%
          HB    ILE   19 - QG2   VAL  107  16.32 +/- 2.32   1.907% *  0.0977% (0.57  1.00   0.02   0.02) =   0.004%
          HB3   GLU-  25 - QG2   VAL  107  20.71 +/- 3.05   0.814% *  0.1632% (0.95  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - QG2   VAL  107  16.34 +/- 1.73   1.727% *  0.0709% (0.41  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QG2   VAL  107  17.20 +/- 1.05   1.601% *  0.0384% (0.22  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG2   VAL  107  15.95 +/- 1.52   1.898% *  0.0302% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 7 structures by 1.21 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.606, support = 1.14, residual support = 1.96:
        T QD1   LEU   63 - QG1   VAL  107   7.35 +/- 2.30   6.891% * 30.9967% (0.98 10.00   0.53   0.24) =  24.736%  kept
        T QD2   LEU   63 - QG1   VAL  107   7.95 +/- 2.53   7.609% * 25.9244% (0.45 10.00   0.97   0.24) =  22.843%  kept
          QD2   LEU  115 - QG1   VAL  107   4.64 +/- 1.41  13.200% * 13.2045% (0.92  1.00   2.41   6.33) =  20.184%  kept
        T QD1   LEU   63 - QG2   VAL   24  11.76 +/- 4.63   9.664% * 12.8552% (0.23 10.00   0.93   1.19) =  14.387%  kept
        T QD1   LEU   73 - QG2   VAL   24   7.95 +/- 3.22   7.844% * 10.0555% (0.23 10.00   0.73   0.43) =   9.134%  kept
          QD2   LEU   80 - QG2   VAL   24   8.00 +/- 7.09  23.150% *  2.0407% (0.21  1.00   1.61   6.01) =   5.471%  kept
        T QD2   LEU   63 - QG2   VAL   24  12.27 +/- 4.64   9.199% *  2.2533% (0.11 10.00   0.36   1.19) =   2.400%  kept
        T QD1   LEU   73 - QG1   VAL  107  11.12 +/- 3.19   3.385% *  1.1627% (0.98 10.00   0.02   0.02) =   0.456%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.92 +/- 0.99   1.644% *  0.8148% (0.69 10.00   0.02   0.02) =   0.155%  kept
        T QD1   LEU  104 - QG2   VAL   24  13.20 +/- 4.05   5.694% *  0.1936% (0.16 10.00   0.02   0.02) =   0.128%  kept
        T QG1   VAL   83 - QG2   VAL   24   8.72 +/- 6.11  10.274% *  0.0703% (0.06 10.00   0.02   0.14) =   0.084%
        T QG1   VAL   83 - QG1   VAL  107  12.56 +/- 1.08   0.484% *  0.2958% (0.25 10.00   0.02   0.02) =   0.017%
          QD2   LEU   80 - QG1   VAL  107  14.11 +/- 1.55   0.378% *  0.1064% (0.90  1.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - QG2   VAL   24  15.44 +/- 3.78   0.583% *  0.0260% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 2.92 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.376, support = 1.25, residual support = 6.3:
          QD1   LEU  115 - QG2   VAL  107   4.35 +/- 1.61  81.598% * 97.6541% (0.38   1.26   6.33) =  99.461%  kept
          QG1   VAL   75 - QG2   VAL  107   8.84 +/- 1.34  18.402% *  2.3459% (0.57   0.02   0.02) =   0.539%  kept
    Distance limit 3.70 A violated in 4 structures by 0.81 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.843, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.51 +/- 1.42  72.339% * 58.0948% (0.90   0.02   0.02) =  78.381%  kept
          QG2   ILE   19 - QG2   VAL  107  14.27 +/- 2.02  27.661% * 41.9052% (0.65   0.02   0.02) =  21.619%  kept
    Distance limit 3.37 A violated in 20 structures by 5.89 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.61, residual support = 60.0:
      O T HA    VAL  107 - QG2   VAL  107   2.63 +/- 0.30  86.631% * 98.6993% (0.45  10.0 10.00   3.62  60.10) =  99.900%  kept
          HA    LYS+ 111 - QG2   VAL  107   6.37 +/- 1.61  10.051% *  0.7923% (0.34   1.0  1.00   0.21   0.02) =   0.093%
          HA    PRO   52 - QG2   VAL  107  11.84 +/- 2.46   1.663% *  0.1910% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   91 - QG2   VAL  107  12.17 +/- 1.24   1.187% *  0.1335% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - QG2   VAL  107  15.84 +/- 1.83   0.468% *  0.1839% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.385, support = 2.92, residual support = 12.4:
          HB    VAL  108 - QG1   VAL  107   5.56 +/- 0.52  25.923% * 54.4812% (0.45  1.00   4.31  19.64) =  63.316%  kept
        T HB    ILE  119 - QG1   VAL  107   7.36 +/- 2.29  19.672% * 38.6718% (0.25 10.00   0.55   0.02) =  34.105%  kept
          HG2   PRO   58 - QG1   VAL  107   9.23 +/- 2.67  12.597% *  3.9140% (0.65  1.00   0.21   0.02) =   2.211%  kept
          HB2   PRO   93 - QG1   VAL  107   8.76 +/- 1.55   8.570% *  0.4708% (0.84  1.00   0.02   0.02) =   0.181%  kept
          HG3   PRO   52 - QG1   VAL  107  12.63 +/- 3.09   4.007% *  0.3647% (0.65  1.00   0.02   0.02) =   0.066%
          HB2   ARG+  54 - QG1   VAL  107  12.95 +/- 2.16   2.259% *  0.2966% (0.53  1.00   0.02   0.02) =   0.030%
          HB2   GLU-  14 - QG2   VAL   24  15.01 +/- 4.43   3.319% *  0.0973% (0.17  1.00   0.02   0.02) =   0.014%
          HB2   GLN   30 - QG2   VAL   24   7.89 +/- 0.87   9.621% *  0.0334% (0.06  1.00   0.02   0.02) =   0.014%
          HB2   GLU-  14 - QG1   VAL  107  21.90 +/- 2.66   0.473% *  0.4093% (0.73  1.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - QG1   VAL  107  16.40 +/- 1.87   1.339% *  0.1406% (0.25  1.00   0.02   0.02) =   0.008%
          HG2   MET   11 - QG2   VAL   24  18.99 +/- 5.04   1.774% *  0.1024% (0.18  1.00   0.02   0.02) =   0.008%
          HG2   MET   11 - QG1   VAL  107  26.02 +/- 4.40   0.376% *  0.4308% (0.76  1.00   0.02   0.02) =   0.007%
          HB2   PRO   93 - QG2   VAL   24  15.88 +/- 1.96   1.257% *  0.1119% (0.20  1.00   0.02   0.02) =   0.006%
          HB3   GLU- 100 - QG1   VAL  107  16.95 +/- 1.20   0.963% *  0.1116% (0.20  1.00   0.02   0.02) =   0.005%
          HG2   PRO   58 - QG2   VAL   24  19.87 +/- 4.33   1.228% *  0.0867% (0.15  1.00   0.02   0.02) =   0.005%
          HB2   ARG+  54 - QG2   VAL   24  20.84 +/- 4.60   1.366% *  0.0705% (0.13  1.00   0.02   0.02) =   0.004%
          HB    ILE  119 - QG2   VAL   24  19.88 +/- 5.95   2.575% *  0.0334% (0.06  1.00   0.02   0.02) =   0.004%
          HG3   PRO   52 - QG2   VAL   24  20.67 +/- 3.89   0.741% *  0.0867% (0.15  1.00   0.02   0.02) =   0.003%
          HB    VAL  108 - QG2   VAL   24  18.28 +/- 2.63   0.830% *  0.0601% (0.11  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QG2   VAL   24  16.83 +/- 2.66   1.112% *  0.0265% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 7 structures by 1.40 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.792, support = 1.21, residual support = 7.25:
          HA    LEU  115 - QG1   VAL  107   3.56 +/- 1.83  41.329% * 36.5605% (0.90   1.08   6.33) =  60.207%  kept
          HA    GLU- 114 - QG1   VAL  107   5.53 +/- 1.61  15.456% * 38.9069% (0.92   1.12   4.97) =  23.961%  kept
          HA    ASN   28 - QG2   VAL   24   4.88 +/- 0.58  22.776% * 15.3580% (0.21   1.97  15.74) =  13.937%  kept
          HA    THR   26 - QG2   VAL   24   6.45 +/- 0.24   8.357% *  5.3385% (0.14   0.98   2.75) =   1.778%  kept
          HA    ARG+  54 - QG1   VAL  107  11.74 +/- 2.16   3.299% *  0.2577% (0.34   0.02   0.02) =   0.034%
          HA1   GLY  101 - QG1   VAL  107  15.51 +/- 1.04   0.543% *  0.7489% (0.99   0.02   0.02) =   0.016%
          HA    ALA   34 - QG1   VAL  107  17.32 +/- 1.45   0.457% *  0.7406% (0.98   0.02   0.02) =   0.013%
          HA    ASN   28 - QG1   VAL  107  17.80 +/- 1.80   0.431% *  0.6554% (0.87   0.02   0.02) =   0.011%
          HA    ALA   34 - QG2   VAL   24  12.74 +/- 0.58   1.109% *  0.1760% (0.23   0.02   0.02) =   0.008%
          HA    LEU  115 - QG2   VAL   24  18.43 +/- 4.28   1.140% *  0.1610% (0.21   0.02   0.02) =   0.007%
          HA    GLU- 114 - QG2   VAL   24  21.14 +/- 4.73   0.912% *  0.1658% (0.22   0.02   0.02) =   0.006%
          HA    THR   26 - QG1   VAL  107  20.06 +/- 2.33   0.308% *  0.4583% (0.61   0.02   0.02) =   0.006%
          HA1   GLY  101 - QG2   VAL   24  15.32 +/- 3.00   0.775% *  0.1780% (0.24   0.02   0.02) =   0.005%
          HA    ALA  124 - QG1   VAL  107  14.47 +/- 2.20   0.602% *  0.1884% (0.25   0.02   0.02) =   0.005%
          HA    ALA  124 - QG2   VAL   24  24.68 +/- 7.85   2.051% *  0.0448% (0.06   0.02   0.02) =   0.004%
          HA    ARG+  54 - QG2   VAL   24  19.68 +/- 4.16   0.455% *  0.0613% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.59, residual support = 60.0:
      O T HA    VAL  107 - QG1   VAL  107   2.26 +/- 0.30  82.218% * 95.8079% (0.45  10.0 10.00   4.60  60.10) =  99.749%  kept
          HA    TRP   27 - QG2   VAL   24   5.74 +/- 0.38   5.695% *  3.3059% (0.20   1.0  1.00   1.56  26.60) =   0.238%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.92 +/- 1.57   6.656% *  0.0729% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          HA    PRO   52 - QG1   VAL  107  12.28 +/- 2.33   1.031% *  0.1854% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - QG1   VAL  107  13.01 +/- 1.24   0.705% *  0.1296% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL  107 - QG2   VAL   24  18.05 +/- 2.77   0.365% *  0.2277% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL   24  16.28 +/- 4.66   2.571% *  0.0308% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG1   VAL  107  16.42 +/- 2.08   0.319% *  0.1785% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QG2   VAL   24  20.92 +/- 4.12   0.236% *  0.0441% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  20.71 +/- 3.43   0.204% *  0.0173% (0.08   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 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.137, support = 3.31, residual support = 25.1:
          HD1   TRP   27 - QG2   VAL   24   2.33 +/- 0.59  81.606% * 64.2488% (0.12   3.48  26.60) =  94.450%  kept
          QD    PHE   59 - QG1   VAL  107   5.31 +/- 1.30  11.014% * 26.7186% (0.49   0.34   0.43) =   5.301%  kept
          HH2   TRP   49 - QG1   VAL  107  11.82 +/- 3.00   3.178% *  3.0796% (0.97   0.02   0.02) =   0.176%  kept
          HE21  GLN   30 - QG1   VAL  107  15.80 +/- 2.80   0.565% *  2.6654% (0.84   0.02   0.02) =   0.027%
          HE21  GLN   30 - QG2   VAL   24   9.41 +/- 1.58   1.930% *  0.6334% (0.20   0.02   0.02) =   0.022%
          HD1   TRP   27 - QG1   VAL  107  16.83 +/- 2.05   0.451% *  1.5532% (0.49   0.02   0.02) =   0.013%
          QD    PHE   59 - QG2   VAL   24  15.70 +/- 4.07   0.918% *  0.3691% (0.12   0.02   0.02) =   0.006%
          HH2   TRP   49 - QG2   VAL   24  19.80 +/- 3.86   0.338% *  0.7319% (0.23   0.02   0.02) =   0.004%
    Distance limit 3.22 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.89, residual support = 41.4:
          QD    PHE   95 - QG2   VAL  107   2.39 +/- 0.51  91.871% * 99.4926% (0.95   3.89  41.37) =  99.973%  kept
          HN    ALA   47 - QG2   VAL  107  10.31 +/- 2.16   5.428% *  0.4128% (0.76   0.02   0.02) =   0.025%
          QE    PHE   72 - QG2   VAL  107   9.39 +/- 1.62   2.701% *  0.0946% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.857, support = 1.6, residual support = 5.83:
          HN    LEU  115 - QG2   VAL  107   4.49 +/- 1.75  54.845% * 67.9466% (0.90   1.73   6.33) =  84.591%  kept
          HN    PHE   97 - QG2   VAL  107   6.64 +/- 1.01  30.312% * 13.1241% (0.90   0.34   5.19) =   9.030%  kept
          HN    ASP- 113 - QG2   VAL  107   7.07 +/- 1.62  14.843% * 18.9293% (0.28   1.56   0.02) =   6.378%  kept
    Distance limit 3.92 A violated in 2 structures by 0.51 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 19.6:
          HN    VAL  108 - QG2   VAL  107   3.57 +/- 0.41  91.590% * 99.3371% (0.57   3.64  19.64) =  99.939%  kept
          HN    VAL   43 - QG2   VAL  107   8.63 +/- 0.67   8.410% *  0.6629% (0.69   0.02   0.02) =   0.061%
    Distance limit 3.48 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.1:
          HN    VAL  107 - QG1   VAL  107   3.42 +/- 0.31  93.482% * 99.2857% (0.99   4.13  60.10) =  99.976%  kept
          HN    GLY   51 - QG1   VAL  107  13.57 +/- 2.59   4.033% *  0.4849% (1.00   0.02   0.02) =   0.021%
          HN    GLY   51 - QG2   VAL   24  19.93 +/- 4.12   1.248% *  0.1152% (0.24   0.02   0.02) =   0.002%
          HN    VAL  107 - QG2   VAL   24  16.30 +/- 2.36   1.236% *  0.1142% (0.24   0.02   0.02) =   0.002%
    Distance limit 3.39 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.632, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.94 +/- 1.15  67.193% * 80.7980% (0.69   0.02   0.02) =  89.603%  kept
          HN    VAL   43 - QG2   VAL   24  12.12 +/- 1.64  32.807% * 19.2020% (0.16   0.02   0.02) =  10.397%  kept
    Distance limit 3.54 A violated in 20 structures by 5.04 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   2.88 +/- 0.37  98.151% * 99.9027% (0.99  10.0   2.20   6.39) =  99.998%  kept
          HN    PHE   45 - HA2   GLY  109  12.13 +/- 2.06   1.849% *  0.0973% (0.97   1.0   0.02   0.02) =   0.002%
    Distance limit 3.55 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   2.73 +/- 0.27  98.122% * 99.5895% (0.53  10.0   2.20   9.36) =  99.998%  kept
          HN    GLN   90 - HA2   GLY  109  15.01 +/- 2.88   0.755% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA2   GLY  109  18.71 +/- 0.85   0.331% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  21.89 +/- 3.85   0.792% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 65.0:
      O   HN    VAL  108 - HB    VAL  108   2.92 +/- 0.45  98.069% * 99.8788% (0.57  10.0   4.70  65.00) =  99.998%  kept
          HN    VAL   43 - HB    VAL  108  12.08 +/- 1.01   1.931% *  0.1212% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.137, support = 3.08, residual support = 7.37:
          HN    GLY  109 - QG1   VAL  108   2.60 +/- 0.32  93.920% * 89.7980% (0.14   3.09   7.39) =  99.757%  kept
          HN    GLN   90 - QG1   VAL  108  10.77 +/- 2.13   3.964% *  3.7236% (0.87   0.02   0.02) =   0.175%  kept
          HN    SER   82 - QG1   VAL  108  16.42 +/- 3.01   1.075% *  2.9487% (0.69   0.02   0.02) =   0.037%
          HN    ILE  103 - QG1   VAL  108  12.97 +/- 0.83   0.848% *  2.9487% (0.69   0.02   0.02) =   0.030%
          HN    GLY   16 - QG1   VAL  108  23.94 +/- 3.82   0.193% *  0.5810% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 65.0:
          HN    VAL  108 - QG1   VAL  108   3.60 +/- 0.14  96.885% * 99.4662% (0.57   4.52  65.00) =  99.983%  kept
          HN    VAL   43 - QG1   VAL  108  11.66 +/- 0.90   3.115% *  0.5338% (0.69   0.02   0.02) =   0.017%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 65.0:
          HN    VAL  108 - QG2   VAL  108   2.70 +/- 0.65  96.256% * 99.4086% (0.57   4.08  65.00) =  99.977%  kept
          HN    VAL   43 - QG2   VAL  108   9.97 +/- 1.14   3.744% *  0.5914% (0.69   0.02   0.02) =   0.023%
    Distance limit 3.33 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 = 0.802, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.18 +/- 1.42  63.982% * 32.6470% (0.80   0.02   0.02) =  64.522%  kept
          HN    SER   82 - QG2   VAL  108  16.14 +/- 2.90  23.687% * 28.0060% (0.69   0.02   0.02) =  20.491%  kept
          HN    GLY   16 - QG2   VAL  108  22.39 +/- 4.09  12.331% * 39.3470% (0.97   0.02   0.02) =  14.987%  kept
    Distance limit 4.38 A violated in 20 structures by 5.49 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  16.26 +/- 2.73 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.93 A violated in 20 structures by 12.33 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 = 5.92:
          HA    LYS+ 106 - QG2   VAL  108   4.95 +/- 0.16 100.000% *100.0000% (0.28   1.42   5.92) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.87 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.54, residual support = 313.5:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.49 +/- 0.21  85.759% * 93.0975% (0.69  10.0  1.00   6.55 315.03) =  99.480%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.03 +/- 0.93   7.682% *  5.3128% (0.18   1.0  1.00   4.48  28.47) =   0.509%  kept
          HB3   PRO   93 - HB3   LYS+ 111  10.06 +/- 3.13   3.064% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HB3   LYS+ 111  14.25 +/- 2.76   0.728% *  0.3380% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HB3   LYS+ 111  14.05 +/- 2.90   0.796% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+ 111  15.09 +/- 2.56   0.638% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB3   LYS+ 111  16.83 +/- 1.65   0.319% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.10 +/- 1.60   0.256% *  0.1328% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  20.39 +/- 3.13   0.221% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  24.82 +/- 3.49   0.120% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  21.82 +/- 2.96   0.156% *  0.1215% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.34 +/- 2.63   0.089% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  24.40 +/- 2.77   0.114% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.99 +/- 2.84   0.058% *  0.0418% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.364, support = 3.22, residual support = 24.9:
          HB3   LYS+ 112 - HB3   LYS+ 111   5.39 +/- 1.49  45.784% * 79.1889% (0.31  1.00   3.65  28.47) =  87.584%  kept
          QG2   VAL  107 - HB3   LYS+ 111   6.22 +/- 2.65  44.275% * 11.3394% (0.76  1.00   0.21   0.02) =  12.128%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  16.72 +/- 2.62   1.055% *  7.3991% (0.53 10.00   0.02   0.02) =   0.189%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.34 +/- 1.77   7.413% *  0.3910% (0.28  1.00   0.02   0.02) =   0.070%
          HG13  ILE  103 - HB3   LYS+ 111  18.40 +/- 2.56   0.694% *  1.4032% (1.00  1.00   0.02   0.02) =   0.024%
          QB    ALA   20 - HB3   LYS+ 111  19.28 +/- 4.17   0.780% *  0.2783% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 3.18 A violated in 0 structures by 0.70 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.95, residual support = 315.0:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.87 +/- 0.16  91.059% * 99.9336% (0.97  10.0   6.95 315.03) =  99.998%  kept
          HA    VAL  108 - HB3   LYS+ 111   8.36 +/- 2.02   6.928% *  0.0160% (0.15   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HB3   LYS+ 111  12.28 +/- 3.85   2.013% *  0.0504% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.49, residual support = 315.0:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.91 +/- 0.53  94.848% * 99.6823% (0.73  10.0   5.49 315.03) =  99.997%  kept
          HN    ILE   56 - HB3   LYS+ 111  11.07 +/- 2.54   3.766% *  0.0468% (0.34   1.0   0.02   0.02) =   0.002%
          HN    ALA   84 - HB3   LYS+ 111  20.91 +/- 2.20   0.383% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  15.12 +/- 2.04   0.926% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  32.66 +/- 3.04   0.077% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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   3.12 +/- 0.67  84.141% * 99.5678% (1.00  10.0   7.06 315.03) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  11.66 +/- 2.55   2.437% *  0.0834% (0.84   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - HB2   LYS+ 111  15.75 +/- 2.14   1.011% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   GLN   30  10.41 +/- 1.49   3.725% *  0.0146% (0.15   1.0   0.02   1.75) =   0.001%
          HN    ALA   84 - HB2   LYS+ 111  21.51 +/- 2.60   0.372% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  15.58 +/- 2.97   1.301% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  19.38 +/- 6.70   0.904% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.27 +/- 1.05   5.084% *  0.0031% (0.03   1.0   0.02  17.73) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.23 +/- 2.97   0.103% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.36 +/- 3.39   0.393% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  24.74 +/- 3.16   0.277% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.33 +/- 3.67   0.254% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 314.3:
          HN    LYS+ 111 - HG2   LYS+ 111   3.63 +/- 0.87  86.543% * 92.4407% (0.18   6.52 315.03) =  99.779%  kept
          QE    PHE   60 - HG2   LYS+ 111  14.27 +/- 3.72   3.834% *  2.4483% (0.31   0.10   0.02) =   0.117%  kept
          HN    ILE   56 - HG2   LYS+ 111  12.30 +/- 2.62   5.944% *  0.7882% (0.49   0.02   0.02) =   0.058%
          HN    LEU   63 - HG2   LYS+ 111  16.78 +/- 2.27   1.924% *  0.9821% (0.61   0.02   0.02) =   0.024%
          HZ2   TRP   87 - HG2   LYS+ 111  20.92 +/- 3.04   0.655% *  1.4522% (0.90   0.02   0.02) =   0.012%
          HD21  ASN   28 - HG2   LYS+ 111  26.72 +/- 3.62   0.354% *  1.6049% (0.99   0.02   0.02) =   0.007%
          HN    ALA   84 - HG2   LYS+ 111  21.37 +/- 2.86   0.746% *  0.2836% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.02 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.646, support = 6.54, residual support = 314.7:
          HN    LYS+ 111 - HG3   LYS+ 111   3.22 +/- 0.44  75.237% * 96.4785% (0.65   6.55 315.03) =  99.905%  kept
          HN    ILE   56 - HG3   LYS+ 111  12.37 +/- 2.70   2.807% *  2.0132% (0.97   0.09   0.02) =   0.078%
          HN    LEU   63 - HG3   LYS+ 111  16.76 +/- 2.11   0.883% *  0.4546% (1.00   0.02   0.02) =   0.006%
          HN    LEU   63 - HG2   LYS+  74  10.41 +/- 2.58   4.799% *  0.0486% (0.11   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HG2   LYS+  74  12.44 +/- 3.78   9.605% *  0.0183% (0.04   0.02   0.02) =   0.002%
          HN    ALA   84 - HG3   LYS+ 111  20.75 +/- 3.05   0.421% *  0.2947% (0.65   0.02   0.02) =   0.002%
          HN    ILE   56 - HG2   LYS+  74  14.21 +/- 4.44   1.962% *  0.0470% (0.10   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG3   LYS+ 111  20.38 +/- 3.07   0.422% *  0.1710% (0.38   0.02   0.02) =   0.001%
          HN    ALA   84 - HG2   LYS+  74  13.04 +/- 1.86   1.630% *  0.0315% (0.07   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG3   LYS+ 111  26.41 +/- 3.57   0.171% *  0.2579% (0.57   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG2   LYS+  74  14.85 +/- 2.35   1.137% *  0.0276% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  18.09 +/- 3.53   0.528% *  0.0315% (0.07   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.48 +/- 3.00   0.077% *  0.1136% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.78 +/- 2.57   0.319% *  0.0121% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0867, support = 5.89, residual support = 31.7:
          HN    VAL   75 - HG2   LYS+  74   3.48 +/- 0.62  89.965% * 91.8015% (0.09   5.90  31.83) =  99.717%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.99 +/- 1.16   6.244% *  1.6844% (0.11   0.09   0.02) =   0.127%  kept
          HN    ASP-  78 - HG3   LYS+ 111  19.16 +/- 5.01   2.776% *  3.6031% (0.99   0.02   0.02) =   0.121%  kept
          HN    VAL   75 - HG3   LYS+ 111  18.55 +/- 3.17   1.016% *  2.9109% (0.80   0.02   0.02) =   0.036%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.73, support = 1.2, residual support = 3.68:
        T HB2   LEU  115 - HA    LYS+ 112   3.21 +/- 0.96  50.667% * 67.8546% (0.76 10.00   0.75   2.48) =  84.818%  kept
          QB    GLU- 114 - HA    LYS+ 112   4.93 +/- 0.78  25.261% * 16.0728% (0.73  1.00   1.87   1.17) =  10.017%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.31 +/- 0.26  13.688% * 15.1634% (0.18  1.00   7.31  28.47) =   5.121%  kept
          HG3   PRO   58 - HA    LYS+ 112   9.71 +/- 2.12   8.372% *  0.1896% (0.80  1.00   0.02   0.02) =   0.039%
          HG2   PRO   68 - HA    LYS+ 112  19.14 +/- 3.74   0.404% *  0.2054% (0.87  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    LYS+ 112  21.64 +/- 2.69   0.259% *  0.1896% (0.80  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    LYS+ 112  18.07 +/- 2.41   0.387% *  0.0889% (0.38  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LYS+ 112  20.44 +/- 4.58   0.402% *  0.0415% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  27.05 +/- 4.28   0.147% *  0.0889% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  23.22 +/- 3.38   0.238% *  0.0527% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  24.36 +/- 2.96   0.174% *  0.0527% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.42, residual support = 5.53:
        T QD1   ILE   56 - HA    LYS+ 112   4.32 +/- 2.91  65.741% * 99.6347% (0.84 10.00   1.42   5.54) =  99.959%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  15.14 +/- 1.12   7.021% *  0.1548% (0.92  1.00   0.02   0.02) =   0.017%
          QD2   LEU  123 - HA    LYS+ 112  11.63 +/- 2.50  18.712% *  0.0466% (0.28  1.00   0.02   0.02) =   0.013%
          QD2   LEU   73 - HA    LYS+ 112  14.63 +/- 3.81   6.550% *  0.0949% (0.57  1.00   0.02   0.02) =   0.009%
          HG    LEU   31 - HA    LYS+ 112  22.79 +/- 2.64   1.975% *  0.0689% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 3.30 A violated in 5 structures by 1.46 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.771, support = 1.11, residual support = 2.51:
          QD    PHE   55 - HA    LYS+ 112   6.37 +/- 3.89  39.956% * 60.4549% (0.95   1.10   0.84) =  54.138%  kept
          QE    PHE   95 - HA    LYS+ 112   4.53 +/- 2.27  54.881% * 37.2432% (0.57   1.13   4.49) =  45.810%  kept
          HE3   TRP   27 - HA    LYS+ 112  19.90 +/- 2.47   0.711% *  1.1382% (0.98   0.02   0.02) =   0.018%
          HN    LYS+  81 - HA    LYS+ 112  22.45 +/- 3.40   2.312% *  0.3229% (0.28   0.02   0.02) =   0.017%
          HN    THR   23 - HA    LYS+ 112  22.05 +/- 3.81   0.656% *  0.6109% (0.53   0.02   0.02) =   0.009%
          HN    LEU   67 - HA    LYS+ 112  16.61 +/- 2.16   1.484% *  0.2298% (0.20   0.02   0.02) =   0.008%
    Distance limit 3.75 A violated in 1 structures by 0.28 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.76, residual support = 238.2:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.78 +/- 0.07  96.707% * 99.7200% (0.92  10.0   5.76 238.19) =  99.998%  kept
          HN    THR   46 - HA    LYS+ 112  13.04 +/- 2.02   1.306% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HA    LYS+ 112  17.48 +/- 3.27   0.586% *  0.0937% (0.87   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LYS+ 112  13.19 +/- 2.43   1.302% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  31.51 +/- 6.32   0.099% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.24, residual support = 238.1:
          HN    LYS+ 112 - HG2   LYS+ 112   3.82 +/- 0.53  95.233% * 98.9791% (0.41   6.24 238.19) =  99.981%  kept
          HN    ASP-  78 - HG2   LYS+ 112  17.99 +/- 4.61   1.939% *  0.5901% (0.76   0.02   0.02) =   0.012%
          HN    VAL   75 - HG2   LYS+ 112  15.94 +/- 3.33   2.548% *  0.2383% (0.31   0.02   0.02) =   0.006%
          HN    MET   11 - HG2   LYS+ 112  31.89 +/- 6.39   0.280% *  0.1925% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.723, support = 0.746, residual support = 0.926:
          QE    PHE   59 - HG2   LYS+ 112   7.89 +/- 1.75  35.097% * 52.7572% (0.90   0.75   1.07) =  58.949%  kept
          QD    PHE   60 - HG2   LYS+ 112   9.04 +/- 3.07  27.716% * 32.5990% (0.45   0.93   0.57) =  28.765%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.40 +/- 2.00  29.121% * 12.9210% (0.53   0.31   1.07) =  11.979%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.92 +/- 3.08   6.322% *  1.4481% (0.92   0.02   0.02) =   0.291%  kept
          HN    LYS+  81 - HG2   LYS+ 112  23.03 +/- 4.53   1.744% *  0.2747% (0.18   0.02   0.02) =   0.015%
    Distance limit 4.15 A violated in 13 structures by 2.19 A, kept.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.6, residual support = 237.7:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.64 +/- 0.48  93.284% * 93.9398% (0.20  10.0 10.00   4.61 238.19) =  99.813%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.50 +/- 2.74   3.354% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.180%  kept
          HB3   ASP-  86 - HG2   LYS+ 112  22.17 +/- 3.98   0.524% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HG2   LYS+ 112  13.62 +/- 3.36   2.102% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HG2   LYS+ 112  16.46 +/- 3.27   0.562% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HG2   LYS+ 112  29.32 +/- 4.21   0.104% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  31.76 +/- 3.54   0.070% *  0.2128% (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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.64, residual support = 237.8:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.88 +/- 0.46  93.681% * 93.9398% (0.20  10.0 10.00   4.65 238.19) =  99.821%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.72 +/- 2.76   3.224% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.172%  kept
          HG3   MET   96 - HG3   LYS+ 112  15.97 +/- 2.57   0.710% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HG3   LYS+ 112  21.52 +/- 3.78   0.429% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HG3   LYS+ 112  13.18 +/- 3.22   1.759% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HG3   LYS+ 112  29.14 +/- 3.76   0.112% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  31.64 +/- 2.96   0.085% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.291, support = 1.56, residual support = 4.4:
          QE    PHE   95 - HG3   LYS+ 112   5.96 +/- 2.73  64.629% * 85.5651% (0.28   1.59   4.49) =  97.916%  kept
          HD1   TRP   49 - HG3   LYS+ 112  13.38 +/- 5.36  21.905% *  3.7399% (0.97   0.02   0.02) =   1.451%  kept
          HN    LEU   67 - HG3   LYS+ 112  17.27 +/- 3.12   6.928% *  2.6620% (0.69   0.02   0.02) =   0.327%  kept
          HD2   HIS   22 - HG3   LYS+ 112  22.52 +/- 5.10   2.937% *  3.8753% (1.00   0.02   0.02) =   0.201%  kept
          HN    THR   23 - HG3   LYS+ 112  22.58 +/- 4.23   2.685% *  1.1961% (0.31   0.02   0.02) =   0.057%
          HD21  ASN   35 - HG3   LYS+ 112  30.80 +/- 2.91   0.917% *  2.9616% (0.76   0.02   0.02) =   0.048%
    Distance limit 4.29 A violated in 8 structures by 1.74 A, kept.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 238.2:
          HN    LYS+ 112 - HG3   LYS+ 112   3.20 +/- 0.69  97.080% * 98.9258% (0.41   5.92 238.19) =  99.987%  kept
          HN    ASP-  78 - HG3   LYS+ 112  17.70 +/- 4.76   1.349% *  0.6209% (0.76   0.02   0.02) =   0.009%
          HN    VAL   75 - HG3   LYS+ 112  15.80 +/- 3.24   1.400% *  0.2508% (0.31   0.02   0.02) =   0.004%
          HN    MET   11 - HG3   LYS+ 112  32.10 +/- 6.19   0.171% *  0.2026% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 238.1:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.37 +/- 0.14  94.745% * 95.1769% (0.20  10.0  1.00   3.84 238.19) =  99.964%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.66 +/- 2.89   3.667% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.019%
        T HG3   MET   96 - HD2   LYS+ 112  16.62 +/- 2.86   0.384% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.014%
          HB3   PHE   45 - HD2   LYS+ 112  13.49 +/- 3.40   0.906% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD2   LYS+ 112  21.99 +/- 3.68   0.187% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  29.33 +/- 3.83   0.064% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  31.83 +/- 3.23   0.047% *  0.2156% (0.45   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 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 238.2:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.83 +/- 0.20  90.669% * 99.7845% (0.85  10.0   5.70 238.19) =  99.989%  kept
          QB    ALA   47 - HD3   LYS+ 112  10.55 +/- 3.05   7.778% *  0.1053% (0.89   1.0   0.02   0.02) =   0.009%
          QG1   VAL   42 - HD3   LYS+ 112  12.19 +/- 2.29   1.554% *  0.1103% (0.94   1.0   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 3.3, residual support = 238.2:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.34 +/- 0.15  96.254% * 98.0934% (0.19  10.0   3.30 238.19) =  99.985%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.41 +/- 2.54   2.306% *  0.4913% (0.94   1.0   0.02   0.02) =   0.012%
          HG3   MET   96 - HD3   LYS+ 112  16.40 +/- 2.49   0.399% *  0.3405% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PHE   45 - HD3   LYS+ 112  13.53 +/- 2.65   0.759% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD3   LYS+ 112  22.05 +/- 3.16   0.177% *  0.4140% (0.79   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  29.31 +/- 3.97   0.059% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  31.71 +/- 3.48   0.045% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.6, residual support = 238.1:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.64 +/- 0.48  73.497% * 99.5374% (0.75  10.0 10.00   4.61 238.19) =  99.963%  kept
          QB    ALA   47 - QE    LYS+ 112   8.85 +/- 3.00  17.525% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.025%
        T HG2   LYS+ 112 - HB3   ASP-  62  11.50 +/- 2.74   2.653% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   42 - QE    LYS+ 112  10.45 +/- 2.63   1.886% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HB3   ASP-  62   8.51 +/- 1.32   3.359% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   47 - HB3   ASP-  62  12.99 +/- 3.08   1.079% *  0.0215% (0.16   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 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.425, support = 0.918, residual support = 5.27:
          QD1   ILE   56 - QE    LYS+ 112   4.40 +/- 2.20  41.970% * 71.9844% (0.44   0.95   5.54) =  95.144%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.05 +/- 1.85  17.226% *  5.1809% (0.09   0.33   0.02) =   2.811%  kept
          QG2   VAL   18 - HB3   ASP-  62  11.29 +/- 3.64   3.941% *  2.9728% (0.07   0.25   0.02) =   0.369%  kept
          QD2   LEU   73 - HB3   ASP-  62  10.78 +/- 2.76   3.952% *  2.5457% (0.14   0.11   0.02) =   0.317%  kept
          QG2   THR   46 - QE    LYS+ 112   9.09 +/- 3.10  10.093% *  0.8869% (0.26   0.02   0.02) =   0.282%  kept
          QG2   THR   46 - HB3   ASP-  62  10.18 +/- 3.03  10.981% *  0.7892% (0.05   0.09   0.02) =   0.273%  kept
          QD2   LEU   73 - QE    LYS+ 112  12.96 +/- 3.86   3.643% *  2.3009% (0.67   0.02   0.02) =   0.264%  kept
          QG1   VAL   43 - HB3   ASP-  62  12.14 +/- 1.67   1.883% *  4.2127% (0.11   0.22   0.02) =   0.250%  kept
          QG1   VAL   43 - QE    LYS+ 112  12.21 +/- 2.75   2.200% *  1.8589% (0.54   0.02   0.02) =   0.129%  kept
          QG2   VAL   18 - QE    LYS+ 112  14.72 +/- 3.82   1.570% *  1.1813% (0.34   0.02   0.02) =   0.058%
          QG1   VAL   41 - QE    LYS+ 112  16.32 +/- 2.37   0.680% *  2.4001% (0.70   0.02   0.02) =   0.051%
          HG    LEU   31 - QE    LYS+ 112  20.66 +/- 3.57   0.331% *  2.6525% (0.77   0.02   0.02) =   0.028%
          QG1   VAL   41 - HB3   ASP-  62  14.18 +/- 1.03   0.941% *  0.4911% (0.14   0.02   0.02) =   0.015%
          HG    LEU   31 - HB3   ASP-  62  18.18 +/- 3.83   0.589% *  0.5427% (0.16   0.02   0.02) =   0.010%
    Distance limit 3.77 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 4.64, residual support = 236.3:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.88 +/- 0.46  69.362% * 94.8199% (0.81  10.0 10.00   4.65 238.19) =  99.039%  kept
          HG    LEU   63 - HB3   ASP-  62   5.89 +/- 1.17  15.326% *  4.0839% (0.15   1.0  1.00   4.53  42.33) =   0.942%  kept
        T HG3   LYS+ 112 - HB3   ASP-  62  11.72 +/- 2.76   2.364% *  0.1940% (0.16   1.0 10.00   0.02   0.02) =   0.007%
        T QG2   VAL   24 - QE    LYS+ 112  17.48 +/- 3.65   0.579% *  0.7509% (0.64   1.0 10.00   0.02   0.02) =   0.007%
          QG2   VAL  108 - QE    LYS+ 112   9.80 +/- 2.11   6.082% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   63 - QE    LYS+ 112  11.63 +/- 2.50   1.434% *  0.0881% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HB3   ASP-  62  16.73 +/- 5.09   2.551% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    LYS+ 112  16.29 +/- 3.01   0.560% *  0.0152% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.24 +/- 2.45   1.018% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  15.02 +/- 2.72   0.723% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.473, support = 0.0265, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   6.76 +/- 2.17  25.688% * 57.0127% (0.51 10.00   0.02   0.02) =  81.360%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.82 +/- 2.06  26.651% *  5.8758% (0.11  1.00   0.09   0.02) =   8.699%  kept
          HG13  ILE  119 - QE    LYS+ 112   9.10 +/- 2.21  15.959% *  6.0808% (0.54  1.00   0.02   0.02) =   5.391%  kept
          QB    ALA   20 - QE    LYS+ 112  15.29 +/- 3.51   3.228% *  9.3789% (0.83  1.00   0.02   0.02) =   1.682%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.38 +/- 2.37  15.129% *  1.1665% (0.10  1.00   0.02   0.02) =   0.980%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  15.21 +/- 1.50   1.598% *  7.8514% (0.70  1.00   0.02   0.02) =   0.697%  kept
          QB    ALA   20 - HB3   ASP-  62  13.14 +/- 3.08   4.092% *  1.9189% (0.17  1.00   0.02   0.02) =   0.436%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  13.75 +/- 2.32   3.321% *  1.6064% (0.14  1.00   0.02   0.02) =   0.296%  kept
          HB3   LEU   31 - QE    LYS+ 112  21.51 +/- 2.89   0.689% *  5.7013% (0.51  1.00   0.02   0.02) =   0.218%  kept
          HG13  ILE  103 - QE    LYS+ 112  16.95 +/- 3.13   1.458% *  1.8602% (0.17  1.00   0.02   0.02) =   0.151%  kept
          HB3   LEU   31 - HB3   ASP-  62  18.96 +/- 3.34   0.975% *  1.1665% (0.10  1.00   0.02   0.02) =   0.063%
          HG13  ILE  103 - HB3   ASP-  62  18.03 +/- 2.62   1.212% *  0.3806% (0.03  1.00   0.02   0.02) =   0.026%
    Distance limit 3.19 A violated in 11 structures by 1.57 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.783, support = 1.48, residual support = 3.49:
          QE    PHE   95 - QE    LYS+ 112   5.34 +/- 2.84  31.486% * 68.9437% (0.82   1.79   4.49) =  73.059%  kept
          QD    PHE   55 - QE    LYS+ 112   5.69 +/- 3.42  33.487% * 22.0441% (0.72   0.65   0.84) =  24.845%  kept
          HD1   TRP   49 - QE    LYS+ 112  11.60 +/- 4.53   9.108% *  5.5884% (0.26   0.46   0.02) =   1.713%  kept
          QE    PHE   95 - HB3   ASP-  62   7.97 +/- 2.58  11.738% *  0.7704% (0.17   0.10   0.02) =   0.304%  kept
          HN    LEU   67 - HB3   ASP-  62   7.78 +/- 1.14   6.768% *  0.1037% (0.11   0.02   0.02) =   0.024%
          HN    LEU   67 - QE    LYS+ 112  14.79 +/- 3.01   0.976% *  0.5070% (0.54   0.02   0.02) =   0.017%
          HE3   TRP   27 - QE    LYS+ 112  17.95 +/- 3.35   0.388% *  0.6276% (0.67   0.02   0.02) =   0.008%
          HN    THR   23 - QE    LYS+ 112  19.65 +/- 3.93   0.319% *  0.7564% (0.81   0.02   0.02) =   0.008%
          QD    PHE   55 - HB3   ASP-  62  10.80 +/- 1.12   1.734% *  0.1391% (0.15   0.02   0.02) =   0.008%
          HE3   TRP   27 - HB3   ASP-  62  15.49 +/- 3.53   1.288% *  0.1284% (0.14   0.02   0.02) =   0.006%
          HN    THR   23 - HB3   ASP-  62  17.99 +/- 4.57   0.785% *  0.1548% (0.16   0.02   0.02) =   0.004%
          HD2   HIS   22 - QE    LYS+ 112  19.56 +/- 4.61   0.366% *  0.1551% (0.17   0.02   0.02) =   0.002%
          HD1   TRP   49 - HB3   ASP-  62  17.45 +/- 4.83   1.005% *  0.0495% (0.05   0.02   0.02) =   0.002%
          HD2   HIS   22 - HB3   ASP-  62  17.72 +/- 4.30   0.551% *  0.0317% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.844, support = 3.24, residual support = 21.8:
          HN    GLU- 114 - QB    ASP- 113   2.84 +/- 0.25  77.948% * 73.4773% (0.84   3.40  23.12) =  93.788%  kept
          HN    GLN  116 - QB    ASP- 113   5.10 +/- 0.29  15.313% * 24.1551% (0.98   0.95   1.85) =   6.057%  kept
          HN    THR  118 - QB    ASP- 113   7.60 +/- 0.75   4.861% *  1.8424% (0.80   0.09   0.02) =   0.147%  kept
          HN    PHE   60 - QB    ASP- 113  11.49 +/- 1.68   1.563% *  0.2931% (0.57   0.02   0.02) =   0.008%
          HN    LEU   71 - QB    ASP- 113  20.46 +/- 3.47   0.316% *  0.2321% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.47, residual support = 14.4:
      O   HN    ASP- 113 - QB    ASP- 113   2.18 +/- 0.20  99.518% * 99.9821% (0.98  10.0   3.47  14.41) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.09 +/- 2.71   0.482% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.431, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   7.64 +/- 2.41  77.115% * 39.4133% (0.41 10.00   0.02   0.02) =  90.103%  kept
        T HB3   LYS+  99 - HA    ASP- 113  22.07 +/- 2.45   4.772% * 50.4393% (0.53 10.00   0.02   0.02) =   7.135%  kept
          HB    ILE   89 - HA    ASP- 113  20.54 +/- 2.16   9.225% *  8.8499% (0.92  1.00   0.02   0.02) =   2.420%  kept
          HB    VAL   43 - HA    ASP- 113  18.75 +/- 1.71   8.888% *  1.2975% (0.14  1.00   0.02   0.02) =   0.342%  kept
    Distance limit 3.73 A violated in 17 structures by 3.93 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 4.57, residual support = 51.4:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.05  36.223% * 52.2447% (0.84  10.0   3.79  43.42) =  74.376%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.04  17.068% * 28.2154% (0.45  10.0   7.87  98.90) =  18.927%  kept
          HN    GLN  116 - HA    GLU- 114   4.44 +/- 0.46   9.879% * 12.8456% (0.98   1.0   4.19   1.78) =   4.987%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.18   6.097% *  5.2621% (0.38   1.0   4.38  20.96) =   1.261%  kept
          HN    THR  118 - HA    GLU- 114   5.21 +/- 0.94   8.356% *  0.9530% (0.80   1.0   0.38   0.11) =   0.313%  kept
          HN    THR  118 - HA    LEU  115   3.59 +/- 0.38  18.725% *  0.1483% (0.37   1.0   0.13   0.02) =   0.109%  kept
          HN    PHE   60 - HA    LEU  115   8.27 +/- 1.71   2.534% *  0.2545% (0.26   1.0   0.31   0.02) =   0.025%
          HN    PHE   60 - HA    GLU- 114  11.92 +/- 1.69   0.601% *  0.0354% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    GLU- 114  20.60 +/- 4.16   0.176% *  0.0280% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.86 +/- 3.52   0.339% *  0.0129% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.657, support = 6.25, residual support = 118.9:
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.06  27.451% * 65.9333% (0.90  10.0   4.85  20.96) =  50.621%  kept
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.06  57.084% * 30.3433% (0.41  10.0   7.76 223.00) =  48.444%  kept
          HN    ASP- 113 - HA    GLU- 114   5.15 +/- 0.15   9.204% *  3.6178% (0.28   1.0   3.54  23.12) =   0.931%  kept
          HN    PHE   97 - HA    LEU  115  10.64 +/- 2.38   1.711% *  0.0303% (0.41   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    GLU- 114  13.72 +/- 2.20   0.643% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.89 +/- 0.37   3.908% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 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 = 4.14, residual support = 42.0:
      O   HN    GLU- 114 - QB    GLU- 114   2.28 +/- 0.23  81.762% * 75.7896% (0.81  10.0   4.13  43.42) =  96.604%  kept
          HN    GLN  116 - QB    GLU- 114   4.95 +/- 0.33   9.280% * 21.0766% (0.95   1.0   4.74   1.78) =   3.049%  kept
          HN    THR  118 - QB    GLU- 114   5.66 +/- 0.89   7.282% *  3.0417% (0.77   1.0   0.84   0.11) =   0.345%  kept
          HN    PHE   60 - QB    GLU- 114  10.61 +/- 1.94   1.319% *  0.0514% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    GLU- 114  18.17 +/- 3.73   0.357% *  0.0407% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.83, support = 5.5, residual support = 21.1:
          HN    LEU  115 - QB    GLU- 114   3.04 +/- 0.44  74.252% * 83.5305% (0.87   5.63  20.96) =  94.086%  kept
          HN    ASP- 113 - QB    GLU- 114   4.58 +/- 0.30  24.077% * 16.1725% (0.27   3.51  23.12) =   5.907%  kept
          HN    PHE   97 - QB    GLU- 114  11.44 +/- 2.07   1.671% *  0.2970% (0.87   0.02   0.02) =   0.008%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.858, support = 4.18, residual support = 35.4:
          HN    GLU- 114 - QG    GLU- 114   2.69 +/- 0.62  67.700% * 46.6196% (0.83   4.32  43.42) =  80.876%  kept
          HN    GLN  116 - QG    GLU- 114   5.24 +/- 0.75  13.885% * 49.0353% (0.98   3.88   1.78) =  17.447%  kept
          HN    THR  118 - QG    GLU- 114   6.00 +/- 1.30  15.940% *  4.0832% (0.80   0.40   0.11) =   1.668%  kept
          HN    PHE   60 - QG    GLU- 114  10.64 +/- 1.87   2.081% *  0.1461% (0.56   0.02   0.02) =   0.008%
          HN    LEU   71 - QG    GLU- 114  18.28 +/- 2.93   0.393% *  0.1157% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.53 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 = 5.7, residual support = 21.0:
          HN    LEU  115 - QG    GLU- 114   3.30 +/- 1.02  93.623% * 98.5184% (0.45   5.70  20.96) =  99.975%  kept
          HN    PHE   97 - QG    GLU- 114  11.36 +/- 1.96   5.652% *  0.3459% (0.45   0.02   0.02) =   0.021%
          HN    ALA   12 - QG    GLU- 114  29.04 +/- 5.06   0.271% *  0.7298% (0.94   0.02   0.02) =   0.002%
          HN    ASN   35 - QG    GLU- 114  24.21 +/- 2.32   0.454% *  0.4059% (0.52   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.919, support = 1.01, residual support = 3.73:
          QG1   VAL  107 - QG    GLU- 114   4.10 +/- 1.54  59.918% * 46.0241% (0.98   1.00   4.97) =  67.910%  kept
          HD3   LYS+ 112 - QG    GLU- 114   6.71 +/- 1.74  30.716% * 39.8166% (0.83   1.01   1.17) =  30.118%  kept
          HG13  ILE  119 - QG    GLU- 114   9.55 +/- 1.76   6.075% * 12.8914% (0.22   1.23   0.15) =   1.929%  kept
          QG1   VAL   24 - QG    GLU- 114  18.40 +/- 3.74   1.730% *  0.8685% (0.92   0.02   0.02) =   0.037%
          QG2   VAL   24 - QG    GLU- 114  18.18 +/- 3.22   1.198% *  0.1648% (0.17   0.02   0.02) =   0.005%
          HB3   LEU   31 - QG    GLU- 114  21.27 +/- 2.24   0.364% *  0.2346% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.27 A violated in 0 structures by 0.45 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.586, support = 1.73, residual support = 4.88:
        T QG2   VAL  107 - QB    GLU- 114   4.17 +/- 2.00  69.398% * 93.0614% (0.59 10.00   1.74   4.97) =  98.157%  kept
          HG13  ILE  119 - QB    GLU- 114   9.30 +/- 1.35  18.500% *  6.4725% (0.62  1.00   1.13   0.15) =   1.820%  kept
          HG2   LYS+ 121 - QB    GLU- 114  11.94 +/- 2.00   5.849% *  0.1476% (0.81  1.00   0.02   0.02) =   0.013%
          QB    ALA   20 - QB    GLU- 114  16.89 +/- 3.94   2.409% *  0.1763% (0.96  1.00   0.02   0.02) =   0.006%
          HB3   LEU   31 - QB    GLU- 114  21.33 +/- 2.55   0.964% *  0.1072% (0.59  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QB    GLU- 114  14.64 +/- 1.96   2.880% *  0.0350% (0.19  1.00   0.02   0.02) =   0.002%
    Distance limit 3.10 A violated in 10 structures by 1.39 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.909, support = 6.42, residual support = 216.6:
      O T HA    LEU  115 - HB3   LEU  115   2.41 +/- 0.27  82.127% * 63.8459% (0.92  10.0 10.00   6.51 223.00) =  96.848%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.37 +/- 0.24   5.231% * 31.0081% (0.45   1.0 10.00   3.79  20.96) =   2.996%  kept
        T HA    ARG+  54 - HB3   LEU  115  10.77 +/- 2.07   1.779% *  4.6616% (0.84   1.0 10.00   0.16   0.02) =   0.153%  kept
        T HA    LEU  115 - HB3   LEU   40  17.00 +/- 2.62   0.329% *  0.0749% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   7.87 +/- 1.13   2.999% *  0.0065% (0.09   1.0  1.00   0.02   0.48) =   0.000%
          HA    ALA  124 - HB3   LEU  115  16.75 +/- 0.93   0.284% *  0.0502% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.56 +/- 3.27   0.667% *  0.0213% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  21.81 +/- 3.52   0.147% *  0.0654% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  20.29 +/- 7.42   1.626% *  0.0059% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.46 +/- 2.08   1.840% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  21.88 +/- 2.88   0.127% *  0.0678% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  13.53 +/- 3.30   1.057% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  20.37 +/- 3.25   0.202% *  0.0364% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  21.93 +/- 2.38   0.130% *  0.0554% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.50 +/- 2.89   0.137% *  0.0419% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  16.68 +/- 2.57   0.322% *  0.0142% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  23.70 +/- 3.88   0.123% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.49 +/- 1.37   0.701% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  27.85 +/- 2.57   0.060% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  22.97 +/- 1.89   0.110% *  0.0025% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 223.0:
      O T QD1   LEU  115 - HB3   LEU  115   2.41 +/- 0.31  97.146% * 99.7570% (0.87  10.0 10.00   6.31 223.00) =  99.998%  kept
          QG1   VAL   75 - HB3   LEU  115  11.21 +/- 1.85   1.359% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  115 - HB3   LEU   40  14.59 +/- 2.14   0.538% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HB3   LEU   40  12.29 +/- 1.45   0.957% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.447, support = 7.41, residual support = 222.1:
      O T QD2   LEU  115 - HB3   LEU  115   2.73 +/- 0.47  45.852% * 96.3562% (0.45  10.0 10.00   7.44 223.00) =  99.557%  kept
          QG2   VAL   41 - HB3   LEU   40   6.10 +/- 0.66   5.475% *  1.9670% (0.04   1.0  1.00   4.16  21.35) =   0.243%  kept
          QD1   LEU   63 - HB3   LEU  115   7.63 +/- 2.49   7.354% *  0.7899% (0.80   1.0  1.00   0.09   0.02) =   0.131%  kept
          QD1   LEU   73 - HB3   LEU  115  13.08 +/- 4.51  10.689% *  0.1721% (0.80   1.0  1.00   0.02   0.02) =   0.041%
          QD2   LEU   63 - HB3   LEU  115   8.69 +/- 2.14   3.981% *  0.1984% (0.92   1.0  1.00   0.02   0.02) =   0.018%
          QD2   LEU   63 - HB3   LEU   40   8.44 +/- 2.20   3.169% *  0.0233% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB3   LEU   40   5.90 +/- 1.60   9.651% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   LEU   40   9.14 +/- 1.89   2.593% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU  115  14.35 +/- 2.19   0.511% *  0.0807% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU  115  12.90 +/- 2.65   0.857% *  0.0478% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  115 - HB3   LEU   40  14.91 +/- 2.05   0.358% *  0.1130% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  115  16.90 +/- 2.61   0.441% *  0.0884% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   40   7.30 +/- 1.55   6.181% *  0.0056% (0.03   1.0  1.00   0.02   9.89) =   0.001%
          QD2   LEU   98 - HB3   LEU  115  13.84 +/- 2.40   0.595% *  0.0478% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB3   LEU  115  16.68 +/- 2.99   0.497% *  0.0478% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB3   LEU   40  10.60 +/- 1.60   1.053% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.04 +/- 2.96   0.343% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  16.23 +/- 3.38   0.399% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.952, support = 7.7, residual support = 86.4:
          HN    GLN  116 - HB3   LEU  115   3.78 +/- 0.64  38.816% * 67.5413% (0.98   8.57  98.90) =  85.366%  kept
          HN    GLU- 114 - HB3   LEU  115   5.70 +/- 0.49  13.024% * 22.2346% (0.84   3.31  20.96) =   9.429%  kept
          HN    THR  118 - HB3   LEU  115   5.34 +/- 0.41  16.145% *  8.1579% (0.80   1.27   0.02) =   4.289%  kept
          HN    LEU   71 - HB3   LEU   40   5.78 +/- 1.28  18.314% *  0.9923% (0.05   2.35   1.89) =   0.592%  kept
          HN    PHE   60 - HB3   LEU  115   6.80 +/- 1.61  10.491% *  0.9418% (0.57   0.21   0.02) =   0.322%  kept
          HN    LEU   71 - HB3   LEU  115  16.32 +/- 3.37   0.821% *  0.0721% (0.45   0.02   0.02) =   0.002%
          HN    THR  118 - HB3   LEU   40  16.91 +/- 3.25   0.723% *  0.0151% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  15.10 +/- 2.75   0.969% *  0.0107% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.96 +/- 2.79   0.409% *  0.0185% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  21.00 +/- 2.58   0.288% *  0.0158% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 222.7:
      O   HN    LEU  115 - HB3   LEU  115   3.21 +/- 0.35  80.800% * 98.7866% (0.90  10.0   7.52 223.00) =  99.863%  kept
          HN    ASP- 113 - HB3   LEU  115   6.73 +/- 0.72   9.498% *  1.0878% (0.28   1.0   0.71   0.02) =   0.129%  kept
          HN    PHE   97 - HB3   LEU  115  11.10 +/- 2.57   5.506% *  0.0988% (0.90   1.0   0.02   0.02) =   0.007%
          HN    PHE   97 - HB3   LEU   40  10.12 +/- 1.18   3.338% *  0.0116% (0.11   1.0   0.02   1.40) =   0.000%
          HN    LEU  115 - HB3   LEU   40  19.02 +/- 2.39   0.547% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.29 +/- 2.22   0.312% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.48:
        T HA    LYS+ 112 - HB2   LEU  115   3.21 +/- 0.96  90.886% * 99.6055% (0.69 10.00   0.75   2.48) =  99.989%  kept
          HB    THR   46 - HB2   LEU  115  10.97 +/- 2.80   5.779% *  0.0765% (0.20  1.00   0.02   0.02) =   0.005%
          HB2   HIS  122 - HB2   LEU  115  13.14 +/- 1.08   2.340% *  0.1590% (0.41  1.00   0.02   0.02) =   0.004%
          HB2   HIS   22 - HB2   LEU  115  21.06 +/- 5.51   0.994% *  0.1590% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 1.85, residual support = 7.58:
          QE    PHE   95 - HB2   LEU  115   3.59 +/- 2.00  69.131% * 45.4026% (0.98   1.69   8.80) =  69.657%  kept
          QD    PHE   55 - HB2   LEU  115   7.31 +/- 2.65  25.771% * 52.9979% (0.87   2.23   4.78) =  30.310%  kept
          HN    LEU   67 - HB2   LEU  115  14.93 +/- 1.70   1.170% *  0.3545% (0.65   0.02   0.02) =   0.009%
          HE3   TRP   27 - HB2   LEU  115  18.03 +/- 3.15   0.886% *  0.4387% (0.80   0.02   0.02) =   0.009%
          HD1   TRP   49 - HB2   LEU  115  14.37 +/- 3.33   1.958% *  0.1691% (0.31   0.02   0.02) =   0.007%
          HN    THR   23 - HB2   LEU  115  20.73 +/- 4.20   0.592% *  0.5288% (0.97   0.02   0.02) =   0.007%
          HD2   HIS   22 - HB2   LEU  115  20.86 +/- 4.56   0.492% *  0.1084% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.759, support = 7.2, residual support = 91.5:
          HN    GLN  116 - HB2   LEU  115   3.47 +/- 0.37  53.619% * 80.5864% (0.80   7.55  98.90) =  90.583%  kept
          HN    GLU- 114 - HB2   LEU  115   4.62 +/- 0.47  24.143% * 17.8910% (0.34   3.93  20.96) =   9.055%  kept
          HN    THR  118 - HB2   LEU  115   5.77 +/- 0.30  12.739% *  1.1612% (0.98   0.09   0.02) =   0.310%  kept
          HN    PHE   60 - HB2   LEU  115   7.56 +/- 1.69   9.297% *  0.2613% (0.98   0.02   0.02) =   0.051%
          HN    GLU-  15 - HB2   LEU  115  24.74 +/- 3.23   0.202% *  0.1001% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.895, support = 7.33, residual support = 222.5:
      O   HN    LEU  115 - HB2   LEU  115   2.25 +/- 0.35  91.782% * 96.9762% (0.90  10.0   7.34 223.00) =  99.770%  kept
          HN    ASP- 113 - HB2   LEU  115   5.56 +/- 0.96   6.985% *  2.9268% (0.28   1.0   1.95   0.02) =   0.229%  kept
          HN    PHE   97 - HB2   LEU  115  11.61 +/- 2.22   1.233% *  0.0970% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.606, support = 6.34, residual support = 76.0:
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.04  16.365% * 66.7413% (0.82  10.0   7.87  98.90) =  62.345%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.05  34.735% * 15.5608% (0.19  10.0   3.79  43.42) =  30.853%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.18   5.845% * 12.4471% (0.70   1.0   4.38  20.96) =   4.153%  kept
          HN    GLN  116 - HA    GLU- 114   4.44 +/- 0.46   9.472% *  3.8260% (0.22   1.0   4.19   1.78) =   2.069%  kept
          HN    THR  118 - HA    LEU  115   3.59 +/- 0.38  17.957% *  0.3509% (0.67   1.0   0.13   0.02) =   0.360%  kept
          HN    THR  118 - HA    GLU- 114   5.21 +/- 0.94   8.017% *  0.2838% (0.18   1.0   0.38   0.11) =   0.130%  kept
          HN    PHE   60 - HA    LEU  115   8.27 +/- 1.71   2.430% *  0.6021% (0.47   1.0   0.31   0.02) =   0.084%
          HN    PHE   60 - HA    ARG+  54   8.17 +/- 1.21   2.041% *  0.0216% (0.27   1.0   0.02   0.02) =   0.003%
          HN    GLN  116 - HA    ARG+  54  11.84 +/- 1.99   0.899% *  0.0374% (0.46   1.0   0.02   0.02) =   0.002%
          HN    THR  118 - HA    ARG+  54  14.24 +/- 2.64   0.544% *  0.0306% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  13.29 +/- 2.15   0.483% *  0.0319% (0.39   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  16.86 +/- 3.52   0.326% *  0.0305% (0.37   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    GLU- 114  11.92 +/- 1.69   0.576% *  0.0105% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  19.43 +/- 3.26   0.141% *  0.0171% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.60 +/- 4.16   0.169% *  0.0084% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.684, support = 7.41, residual support = 199.1:
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.06  55.455% * 77.4295% (0.75  10.0   7.76 223.00) =  88.178%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.06  26.668% * 21.1851% (0.20  10.0   4.85  20.96) =  11.602%  kept
          HN    ASP- 113 - HA    GLU- 114   5.15 +/- 0.15   8.942% *  1.1624% (0.06   1.0   3.54  23.12) =   0.213%  kept
          HN    PHE   97 - HA    LEU  115  10.64 +/- 2.38   1.662% *  0.0774% (0.75   1.0   0.02   0.02) =   0.003%
          HN    ASP- 113 - HA    LEU  115   6.89 +/- 0.37   3.795% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  12.02 +/- 2.01   1.232% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    ARG+  54  12.46 +/- 2.69   1.371% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.72 +/- 2.20   0.625% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  18.48 +/- 2.47   0.250% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 7.4, residual support = 221.4:
          HN    LEU  115 - HG    LEU  115   3.54 +/- 0.80  72.867% * 95.3518% (0.78   7.45 223.00) =  99.292%  kept
          HN    ASP- 113 - HG    LEU  115   6.48 +/- 1.28  13.174% *  2.8178% (0.24   0.71   0.02) =   0.530%  kept
          HN    PHE   97 - HG    LEU   40   8.58 +/- 1.13   7.573% *  1.4607% (0.26   0.34   1.40) =   0.158%  kept
          HN    PHE   97 - HG    LEU  115  12.02 +/- 2.74   4.954% *  0.2559% (0.78   0.02   0.02) =   0.018%
          HN    LEU  115 - HG    LEU   40  17.12 +/- 2.60   0.931% *  0.0869% (0.26   0.02   0.02) =   0.001%
          HN    ASP- 113 - HG    LEU   40  20.40 +/- 2.45   0.501% *  0.0269% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.13 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   9.61 +/- 1.52 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.90 A violated in 20 structures by 5.71 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 1.82, residual support = 7.12:
          QE    PHE   95 - QD1   LEU  115   2.79 +/- 2.03  71.374% * 33.1552% (0.57   1.69   8.80) =  58.438%  kept
          QD    PHE   55 - QD1   LEU  115   5.38 +/- 2.60  25.692% * 65.4716% (0.95   2.00   4.78) =  41.539%  kept
          HE3   TRP   27 - QD1   LEU  115  14.35 +/- 2.74   0.717% *  0.6790% (0.98   0.02   0.02) =   0.012%
          HN    THR   23 - QD1   LEU  115  16.39 +/- 3.56   0.644% *  0.3645% (0.53   0.02   0.02) =   0.006%
          HN    LEU   67 - QD1   LEU  115  11.59 +/- 1.44   1.124% *  0.1371% (0.20   0.02   0.02) =   0.004%
          HN    LYS+  81 - QD1   LEU  115  17.37 +/- 3.30   0.449% *  0.1926% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.43, residual support = 28.5:
          QD    PHE   59 - QD1   LEU  115   2.71 +/- 0.68  91.143% * 98.7060% (0.95   4.43  28.54) =  99.960%  kept
          HH2   TRP   49 - QD1   LEU  115   9.02 +/- 2.86   7.198% *  0.3936% (0.84   0.02   0.02) =   0.031%
          HE21  GLN   30 - QD1   LEU  115  16.04 +/- 3.41   0.843% *  0.4547% (0.97   0.02   0.02) =   0.004%
          HD1   TRP   27 - QD1   LEU  115  16.64 +/- 3.34   0.816% *  0.4457% (0.95   0.02   0.02) =   0.004%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.836, support = 1.44, residual support = 8.79:
          QD    PHE   95 - QD2   LEU  115   4.47 +/- 1.75  81.911% * 99.5558% (0.84   1.44   8.80) =  99.902%  kept
          HN    ALA   47 - QD2   LEU  115  10.16 +/- 1.60  18.089% *  0.4442% (0.27   0.02   0.02) =   0.098%
    Distance limit 3.50 A violated in 4 structures by 1.02 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.894, support = 2.69, residual support = 28.5:
          QE    PHE   59 - QD2   LEU  115   3.00 +/- 0.85  64.623% * 83.1036% (0.89   2.88  28.54) =  92.083%  kept
          HN    PHE   59 - QD2   LEU  115   5.00 +/- 1.53  28.566% * 16.1008% (0.93   0.53  28.54) =   7.886%  kept
          HN    HIS  122 - QD2   LEU  115   8.62 +/- 1.36   3.391% *  0.2804% (0.43   0.02   0.02) =   0.016%
          HH2   TRP   87 - QD2   LEU  115  15.54 +/- 2.82   2.032% *  0.2347% (0.36   0.02   0.02) =   0.008%
          HN    LYS+  66 - QD2   LEU  115  11.27 +/- 1.36   1.388% *  0.2804% (0.43   0.02   0.02) =   0.007%
    Distance limit 2.93 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 3.88, residual support = 15.6:
        T QD1   ILE  119 - HA    GLN  116   3.19 +/- 0.74  85.188% * 99.5742% (0.61 10.00   3.89  15.60) =  99.990%  kept
          HB    VAL   75 - HA    GLN  116  16.30 +/- 2.64   1.397% *  0.1553% (0.95  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HA    GLN  116  13.68 +/- 3.00   2.391% *  0.0616% (0.38  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    GLN  116  13.32 +/- 2.96   2.479% *  0.0560% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    GLN  116  11.57 +/- 1.53   2.934% *  0.0325% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    GLN  116  14.96 +/- 3.38   1.562% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  13.73 +/- 2.38   1.711% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  17.43 +/- 4.35   2.337% *  0.0288% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.13, residual support = 96.7:
          QD2   LEU  115 - HA    GLN  116   3.11 +/- 1.30  55.626% * 92.5084% (0.92   6.25  98.90) =  97.815%  kept
          QD1   LEU   63 - HA    GLN  116   8.42 +/- 2.85  17.020% *  6.4464% (0.98   0.41   0.02) =   2.086%  kept
          QD2   LEU   63 - HA    GLN  116   9.26 +/- 3.01  18.379% *  0.1437% (0.45   0.02   0.02) =   0.050%
          QD1   LEU   73 - HA    GLN  116  15.22 +/- 4.63   6.872% *  0.3141% (0.98   0.02   0.02) =   0.041%
          QD1   LEU  104 - HA    GLN  116  13.61 +/- 3.03   1.271% *  0.2201% (0.69   0.02   0.02) =   0.005%
          QD2   LEU   80 - HA    GLN  116  19.64 +/- 2.57   0.428% *  0.2874% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    GLN  116  18.64 +/- 1.90   0.405% *  0.0799% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 3.01, residual support = 15.6:
          HN    ILE  119 - HA    GLN  116   3.14 +/- 0.30  97.951% * 97.6290% (0.57   3.01  15.60) =  99.983%  kept
          HN    CYS   21 - HA    GLN  116  19.81 +/- 4.50   1.113% *  1.1053% (0.97   0.02   0.02) =   0.013%
          HN    LYS+  33 - HA    GLN  116  25.22 +/- 4.20   0.313% *  0.6484% (0.57   0.02   0.02) =   0.002%
          HN    ILE   89 - HA    GLN  116  20.99 +/- 2.24   0.375% *  0.3907% (0.34   0.02   0.02) =   0.002%
          HN    SER   37 - HA    GLN  116  25.97 +/- 3.72   0.247% *  0.2267% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.974, support = 6.66, residual support = 115.0:
      O   HN    GLN  116 - HA    GLN  116   2.74 +/- 0.04  68.026% * 89.0690% (0.98  10.0   6.81 119.05) =  96.629%  kept
          HN    THR  118 - HA    GLN  116   4.11 +/- 0.42  22.033% *  9.2612% (0.80   1.0   2.55   0.13) =   3.254%  kept
          HN    GLU- 114 - HA    GLN  116   6.84 +/- 0.36   4.450% *  1.5777% (0.84   1.0   0.42   1.78) =   0.112%  kept
          HN    PHE   60 - HA    GLN  116   7.82 +/- 1.69   4.715% *  0.0514% (0.57   1.0   0.02   0.02) =   0.004%
          HN    LEU   71 - HA    GLN  116  17.37 +/- 4.45   0.775% *  0.0407% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.49 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 = 0.499, support = 0.65, residual support = 1.56:
          HA    ASP- 113 - HB2   GLN  116   3.46 +/- 0.65  77.321% * 33.6380% (0.49  1.00   0.75   1.85) =  83.946%  kept
        T HA    PRO   58 - HB2   GLN  116  10.33 +/- 2.26   7.670% * 46.4189% (0.41 10.00   0.12   0.02) =  11.492%  kept
          HA    ILE   56 - HB2   GLN  116   8.11 +/- 1.86  10.888% * 12.3952% (0.97  1.00   0.14   0.02) =   4.356%  kept
          HA    LEU  123 - HB2   GLN  116  11.99 +/- 1.40   2.411% *  1.8388% (1.00  1.00   0.02   0.02) =   0.143%  kept
          HA    LYS+  99 - HB2   GLN  116  21.65 +/- 2.89   0.447% *  1.5393% (0.84  1.00   0.02   0.02) =   0.022%
          HA    LEU   40 - HB2   GLN  116  21.07 +/- 3.26   0.548% *  1.0433% (0.57  1.00   0.02   0.02) =   0.018%
          HA    ASN   35 - HB2   GLN  116  27.45 +/- 2.92   0.211% *  1.7433% (0.95  1.00   0.02   0.02) =   0.012%
          HA    GLU-  15 - HB2   GLN  116  25.42 +/- 3.78   0.283% *  0.6916% (0.38  1.00   0.02   0.02) =   0.006%
          HA    SER   13 - HB2   GLN  116  27.97 +/- 5.35   0.220% *  0.6916% (0.38  1.00   0.02   0.02) =   0.005%
    Distance limit 3.78 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.46, support = 6.77, residual support = 96.5:
          QD2   LEU  115 - HB2   GLN  116   3.82 +/- 1.13  60.047% * 90.4274% (0.45   6.93  98.90) =  97.528%  kept
          QD2   LEU   63 - HB2   GLN  116  10.88 +/- 2.99  16.436% *  7.7948% (0.92   0.29   0.02) =   2.301%  kept
          QD1   LEU   63 - HB2   GLN  116   9.98 +/- 2.94  16.032% *  0.4659% (0.80   0.02   0.02) =   0.134%  kept
          QD1   LEU   73 - HB2   GLN  116  16.51 +/- 4.85   2.683% *  0.4659% (0.80   0.02   0.02) =   0.022%
          QG2   VAL   41 - HB2   GLN  116  17.76 +/- 2.39   0.908% *  0.2183% (0.38   0.02   0.02) =   0.004%
          QD2   LEU   80 - HB2   GLN  116  20.53 +/- 2.62   0.775% *  0.2392% (0.41   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   GLN  116  15.29 +/- 2.50   1.365% *  0.1295% (0.22   0.02   0.02) =   0.003%
          QD2   LEU   98 - HB2   GLN  116  17.47 +/- 2.28   0.962% *  0.1295% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  20.32 +/- 2.83   0.791% *  0.1295% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.01 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 6.84, residual support = 97.2:
          QD2   LEU  115 - HG2   GLN  116   4.20 +/- 1.46  54.511% * 94.4108% (1.00   6.95  98.90) =  98.297%  kept
          QD1   LEU   63 - HG2   GLN  116   9.25 +/- 3.04  18.479% *  4.6577% (0.84   0.41   0.02) =   1.644%  kept
          QD2   LEU   63 - HG2   GLN  116  10.07 +/- 3.23  18.912% *  0.0678% (0.25   0.02   0.02) =   0.024%
          QD1   LEU   73 - HG2   GLN  116  16.36 +/- 4.43   5.448% *  0.2270% (0.84   0.02   0.02) =   0.024%
          QD1   LEU  104 - HG2   GLN  116  14.85 +/- 2.88   1.538% *  0.2437% (0.90   0.02   0.02) =   0.007%
          QD2   LEU   80 - HG2   GLN  116  20.73 +/- 2.79   0.586% *  0.2712% (1.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG2   GLN  116  19.85 +/- 2.13   0.526% *  0.1218% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 1 structures by 0.37 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 4.45, residual support = 118.9:
      O   HE21  GLN  116 - HG2   GLN  116   2.85 +/- 0.57  77.821% * 99.1513% (0.65  10.0   4.46 119.05) =  99.885%  kept
          HN    ALA  120 - HG2   GLN  116   5.71 +/- 0.92  14.316% *  0.5603% (0.28   1.0   0.26   0.18) =   0.104%  kept
          HN    ALA   57 - HG2   GLN  116   9.06 +/- 2.39   7.590% *  0.1113% (0.73   1.0   0.02   0.02) =   0.011%
          HE21  GLN   90 - HG2   GLN  116  26.00 +/- 2.57   0.129% *  0.1502% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  29.33 +/- 4.40   0.143% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 6.88, residual support = 113.8:
          HN    GLN  116 - HG2   GLN  116   3.65 +/- 0.53  59.886% * 85.7826% (0.80   7.16 119.05) =  95.601%  kept
          HN    THR  118 - HG2   GLN  116   5.87 +/- 0.80  18.250% * 11.6600% (0.98   0.80   0.13) =   3.960%  kept
          HN    GLU- 114 - HG2   GLN  116   7.24 +/- 1.15   9.262% *  2.1518% (0.34   0.42   1.78) =   0.371%  kept
          HN    PHE   60 - HG2   GLN  116   8.60 +/- 2.36  12.300% *  0.2932% (0.98   0.02   0.02) =   0.067%
          HN    GLU-  15 - HG2   GLN  116  24.74 +/- 4.35   0.301% *  0.1123% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.633, support = 1.17, residual support = 0.641:
          QE    PHE   95 - HB2   GLN  116   7.39 +/- 1.74  39.481% * 64.2679% (0.76   1.16   0.75) =  68.179%  kept
          QD    PHE   55 - HB2   GLN  116   8.05 +/- 2.94  38.564% * 30.0899% (0.34   1.21   0.42) =  31.180%  kept
          HN    LEU   67 - HB2   GLN  116  16.40 +/- 3.08   4.485% *  1.4545% (1.00   0.02   0.02) =   0.175%  kept
          HD1   TRP   49 - HB2   GLN  116  17.54 +/- 3.86   5.269% *  1.2149% (0.84   0.02   0.02) =   0.172%  kept
          HD2   HIS   22 - HB2   GLN  116  22.80 +/- 6.48   5.788% *  0.9991% (0.69   0.02   0.02) =   0.155%  kept
          HN    THR   23 - HB2   GLN  116  23.21 +/- 5.97   3.380% *  1.1647% (0.80   0.02   0.02) =   0.106%  kept
          HE3   TRP   27 - HB2   GLN  116  21.12 +/- 4.04   2.448% *  0.4044% (0.28   0.02   0.02) =   0.027%
          HD21  ASN   35 - HB2   GLN  116  30.05 +/- 3.75   0.585% *  0.4044% (0.28   0.02   0.02) =   0.006%
    Distance limit 3.84 A violated in 14 structures by 2.24 A, kept.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.32, residual support = 118.2:
      O   HN    GLN  116 - HB2   GLN  116   2.15 +/- 0.09  86.102% * 90.2463% (0.98  10.0   7.37 119.05) =  99.299%  kept
          HN    GLU- 114 - HB2   GLN  116   5.36 +/- 0.51   6.197% *  5.7069% (0.84   1.0   1.48   1.78) =   0.452%  kept
          HN    THR  118 - HB2   GLN  116   5.60 +/- 0.24   5.073% *  3.6862% (0.80   1.0   1.00   0.13) =   0.239%  kept
          HN    PHE   60 - HB2   GLN  116   9.05 +/- 2.31   2.394% *  0.3194% (0.57   1.0   0.12   0.02) =   0.010%
          HN    LEU   71 - HB2   GLN  116  19.48 +/- 4.33   0.235% *  0.0413% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.9, residual support = 28.6:
          HN    SER  117 - HB2   GLN  116   3.57 +/- 0.26  99.125% * 99.5615% (0.98   4.90  28.55) =  99.998%  kept
          HN    GLY   16 - HB2   GLN  116  24.58 +/- 3.95   0.429% *  0.3462% (0.84   0.02   0.02) =   0.002%
          HN    SER   82 - HB2   GLN  116  26.55 +/- 3.34   0.446% *  0.0923% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.9, residual support = 28.6:
      O   HN    SER  117 - HA    GLN  116   3.54 +/- 0.05  99.139% * 99.8922% (0.98  10.0   4.90  28.55) =  99.999%  kept
          HN    GLY   16 - HA    GLN  116  22.52 +/- 3.65   0.500% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  25.74 +/- 3.22   0.361% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.92, support = 1.97, residual support = 5.17:
        T QB    ALA  120 - HA    SER  117   3.20 +/- 0.59  71.656% * 88.9748% (0.92 10.00   1.98   5.21) =  98.818%  kept
          HG    LEU  115 - HA    SER  117   7.47 +/- 0.65   7.390% *  6.3911% (0.92  1.00   1.42   2.28) =   0.732%  kept
          HB3   LEU  115 - HA    SER  117   7.80 +/- 0.32   6.151% *  3.3331% (0.38  1.00   1.82   2.28) =   0.318%  kept
          HD2   LYS+ 121 - HA    SER  117   7.79 +/- 1.87  10.321% *  0.7757% (0.18  1.00   0.91   0.02) =   0.124%  kept
        T QG2   THR   26 - HA    SER  117  21.42 +/- 5.24   1.237% *  0.2709% (0.28 10.00   0.02   0.02) =   0.005%
          HB3   LEU   40 - HA    SER  117  19.39 +/- 3.58   0.709% *  0.0974% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    SER  117  17.95 +/- 3.56   0.952% *  0.0366% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    SER  117  19.15 +/- 3.98   0.652% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.11 +/- 3.66   0.388% *  0.0513% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.55 +/- 2.23   0.544% *  0.0217% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.542, support = 1.78, residual support = 21.9:
          HE21  GLN  116 - HA    SER  117   5.31 +/- 1.48  33.272% * 81.2041% (0.65   2.10  28.55) =  71.571%  kept
          HN    ALA  120 - HA    SER  117   3.63 +/- 0.33  64.767% * 16.5448% (0.28   0.99   5.21) =  28.385%  kept
          HN    ALA   57 - HA    SER  117  12.62 +/- 1.48   1.628% *  0.8688% (0.73   0.02   0.02) =   0.037%
          HE21  GLN   90 - HA    SER  117  27.24 +/- 1.59   0.167% *  1.1727% (0.98   0.02   0.02) =   0.005%
          HD21  ASN   35 - HA    SER  117  29.30 +/- 4.31   0.166% *  0.2095% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.4:
      O   HN    SER  117 - HA    SER  117   2.74 +/- 0.06  99.050% * 99.9049% (0.57  10.0   3.64  15.38) = 100.000%  kept
          HN    ALA   20 - HA    SER  117  22.48 +/- 5.98   0.652% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER  117  24.36 +/- 5.18   0.298% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.257, support = 0.166, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  10.17 +/- 1.48   8.375% * 35.7852% (0.49   0.14   0.02) =  29.309%  kept
          HN    LYS+  81 - QB    SER   85   7.33 +/- 0.63  18.960% * 14.7275% (0.12   0.24   0.02) =  27.306%  kept
          QE    PHE   95 - QB    SER  117   7.80 +/- 0.92  17.264% * 15.5229% (0.15   0.19   0.02) =  26.206%  kept
          QD    PHE   60 - QB    SER   48  11.15 +/- 3.57  12.615% *  5.5018% (0.11   0.10   0.02) =   6.787%  kept
          QD    PHE   60 - QB    SER  117  11.31 +/- 1.96   6.780% *  4.3366% (0.41   0.02   0.02) =   2.875%  kept
          HN    LYS+  81 - QB    SER   48  13.22 +/- 3.37   8.686% *  2.0966% (0.20   0.02   0.02) =   1.781%  kept
          QE    PHE   95 - QB    SER   48  11.30 +/- 2.07   6.019% *  2.4733% (0.04   0.12   0.02) =   1.456%  kept
          HN    LYS+  81 - QB    SER  117  23.62 +/- 3.12   1.691% *  8.0615% (0.76   0.02   0.02) =   1.333%  kept
          HE3   TRP   27 - QB    SER  117  18.85 +/- 3.81   1.962% *  5.9721% (0.57   0.02   0.02) =   1.146%  kept
          QD    PHE   55 - QB    SER   48  11.89 +/- 2.79   8.230% *  1.3353% (0.13   0.02   0.02) =   1.075%  kept
          HE3   TRP   27 - QB    SER   48  18.08 +/- 3.72   1.647% *  1.5532% (0.15   0.02   0.02) =   0.250%  kept
          HE3   TRP   27 - QB    SER   85  16.71 +/- 5.49   2.568% *  0.9215% (0.09   0.02   0.02) =   0.231%  kept
          QD    PHE   60 - QB    SER   85  17.58 +/- 2.66   1.662% *  0.6691% (0.06   0.02   0.02) =   0.109%  kept
          QD    PHE   55 - QB    SER   85  20.76 +/- 2.54   0.959% *  0.7922% (0.08   0.02   0.02) =   0.074%
          QE    PHE   95 - QB    SER   85  15.43 +/- 1.44   2.582% *  0.2511% (0.02   0.02   0.02) =   0.063%
    Distance limit 3.90 A violated in 14 structures by 1.90 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.03, residual support = 41.7:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   4.03  41.68) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.728, support = 2.71, residual support = 21.6:
          QG1   VAL  107 - HB    THR  118   4.00 +/- 2.65  48.238% * 52.2416% (0.98   1.42   3.03) =  66.474%  kept
          HG13  ILE  119 - HB    THR  118   5.47 +/- 0.99  28.025% * 44.6046% (0.22   5.34  59.45) =  32.974%  kept
          QG1   VAL   24 - HB    THR  118  18.63 +/- 5.68  14.497% *  0.6922% (0.92   0.02   0.02) =   0.265%  kept
          QG2   VAL   24 - HB    THR  118  18.28 +/- 5.01   5.280% *  1.6482% (0.18   0.25   0.02) =   0.230%  kept
          HD3   LYS+ 112 - HB    THR  118  10.10 +/- 1.39   3.236% *  0.6264% (0.84   0.02   0.02) =   0.053%
          HB3   LEU   31 - HB    THR  118  19.93 +/- 3.56   0.724% *  0.1870% (0.25   0.02   0.02) =   0.004%
    Distance limit 3.84 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.619, support = 1.53, residual support = 10.1:
          QE    PHE   59 - HB    THR  118   3.38 +/- 1.40  58.072% * 32.3433% (0.45   1.80  12.17) =  61.907%  kept
          HN    HIS  122 - HB    THR  118   7.08 +/- 0.46  15.810% * 50.5370% (0.92   1.37   4.16) =  26.336%  kept
          HN    PHE   59 - HB    THR  118   8.16 +/- 2.45  21.524% * 16.4256% (0.84   0.49  12.17) =  11.653%  kept
          HH2   TRP   87 - HB    THR  118  17.66 +/- 4.47   4.594% *  0.6941% (0.87   0.02   0.02) =   0.105%  kept
    Distance limit 4.03 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.72, residual support = 41.6:
      O   HN    THR  118 - HB    THR  118   2.18 +/- 0.18  89.287% * 93.5824% (0.98  10.0   3.73  41.68) =  99.695%  kept
          HN    GLN  116 - HB    THR  118   5.58 +/- 0.46   5.780% *  2.8395% (0.80   1.0   0.74   0.13) =   0.196%  kept
          HN    PHE   60 - HB    THR  118   8.72 +/- 1.93   2.575% *  3.5097% (0.98   1.0   0.75   0.02) =   0.108%  kept
          HN    GLU- 114 - HB    THR  118   7.86 +/- 0.92   2.236% *  0.0326% (0.34   1.0   0.02   0.11) =   0.001%
          HN    GLU-  15 - HB    THR  118  22.78 +/- 4.50   0.122% *  0.0358% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 5.02, residual support = 41.7:
      O T QG2   THR  118 - HA    THR  118   2.62 +/- 0.20 100.000% *100.0000% (0.14  10.0 10.00   5.02  41.68) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.855, support = 0.02, residual support = 57.0:
        T QG2   ILE  119 - HA    THR  118   5.88 +/- 0.20  56.463% * 82.9340% (0.87 10.00   0.02  59.45) =  95.967%  kept
          QD2   LEU   71 - HA    THR  118  15.35 +/- 4.76  19.386% *  6.2402% (0.65  1.00   0.02   0.02) =   2.479%  kept
          QD1   ILE  103 - HA    THR  118  13.46 +/- 3.26   6.727% *  7.1780% (0.75  1.00   0.02   0.02) =   0.990%  kept
          QG2   ILE  103 - HA    THR  118  10.94 +/- 3.81  15.366% *  1.5050% (0.16  1.00   0.02   0.02) =   0.474%  kept
          HG3   LYS+  74 - HA    THR  118  19.07 +/- 3.58   2.059% *  2.1428% (0.22  1.00   0.02   0.02) =   0.090%
    Distance limit 3.24 A violated in 18 structures by 2.34 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.44, support = 4.35, residual support = 39.2:
        T HG13  ILE  119 - HA    THR  118   6.53 +/- 0.76  27.204% * 72.7271% (0.20 10.00   6.06  59.45) =  64.296%  kept
          QG1   VAL  107 - HA    THR  118   5.76 +/- 2.61  46.546% * 21.6308% (0.88  1.00   1.35   3.03) =  32.720%  kept
          QG1   VAL   24 - HA    THR  118  19.95 +/- 6.66  17.305% *  5.2305% (0.83  1.00   0.35   0.02) =   2.941%  kept
          HD3   LYS+ 112 - HA    THR  118  12.23 +/- 1.34   3.659% *  0.2729% (0.75  1.00   0.02   0.02) =   0.032%
          QG2   VAL   24 - HA    THR  118  19.51 +/- 6.02   4.688% *  0.0572% (0.16  1.00   0.02   0.02) =   0.009%
          HB3   LEU   31 - HA    THR  118  20.96 +/- 4.44   0.598% *  0.0815% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 3 structures by 0.74 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.43, support = 2.45, residual support = 6.2:
        T HB3   LYS+ 121 - HA    THR  118   3.86 +/- 0.46  45.441% * 64.6902% (0.22 10.00   2.36   6.20) =  68.846%  kept
          HD2   LYS+ 121 - HA    THR  118   4.35 +/- 1.60  38.846% * 34.1802% (0.89  1.00   2.66   6.20) =  31.096%  kept
          QD    LYS+  66 - HA    THR  118  14.80 +/- 4.51   7.341% *  0.1884% (0.65  1.00   0.02   0.02) =   0.032%
          QG2   THR   26 - HA    THR  118  19.38 +/- 4.97   1.469% *  0.2571% (0.89  1.00   0.02   0.02) =   0.009%
          HG2   LYS+  65 - HA    THR  118  16.27 +/- 2.56   1.255% *  0.2594% (0.90  1.00   0.02   0.02) =   0.008%
          HG    LEU  104 - HA    THR  118  13.60 +/- 4.81   2.093% *  0.0647% (0.22  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HA    THR  118  18.90 +/- 3.67   0.523% *  0.2167% (0.75  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HA    THR  118  11.99 +/- 1.71   1.630% *  0.0454% (0.16  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    THR  118  16.00 +/- 3.91   0.945% *  0.0578% (0.20  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    THR  118  18.98 +/- 3.26   0.458% *  0.0400% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.685, support = 0.02, residual support = 55.9:
        T HB    ILE  119 - HA    THR  118   5.63 +/- 0.23  51.229% * 57.0728% (0.69 10.00   0.02  59.45) =  93.992%  kept
          HB    VAL  108 - HA    THR  118  12.21 +/- 3.15   9.840% *  7.0645% (0.85  1.00   0.02   0.02) =   2.235%  kept
          HB2   ARG+  54 - HA    THR  118  17.63 +/- 3.36   4.490% *  7.3202% (0.88  1.00   0.02   0.02) =   1.057%  kept
          HG2   PRO   58 - HA    THR  118  10.77 +/- 3.17  18.127% *  1.3079% (0.16  1.00   0.02   0.02) =   0.762%  kept
          HB2   PRO   93 - HA    THR  118  15.13 +/- 1.73   3.052% *  7.0645% (0.85  1.00   0.02   0.02) =   0.693%  kept
          HB2   GLN   30 - HA    THR  118  20.53 +/- 4.98   2.594% *  5.7073% (0.69  1.00   0.02   0.02) =   0.476%  kept
          HG3   GLN   30 - HA    THR  118  20.84 +/- 4.80   2.294% *  3.3482% (0.40  1.00   0.02   0.02) =   0.247%  kept
          HB3   GLU- 100 - HA    THR  118  21.09 +/- 4.45   1.406% *  5.1298% (0.62  1.00   0.02   0.02) =   0.232%  kept
          HB3   PRO   68 - HA    THR  118  18.21 +/- 3.65   2.818% *  1.1523% (0.14  1.00   0.02   0.02) =   0.104%  kept
          HG3   PRO   52 - HA    THR  118  18.30 +/- 2.98   2.127% *  1.3079% (0.16  1.00   0.02   0.02) =   0.089%
          HB2   GLU-  14 - HA    THR  118  25.02 +/- 5.87   1.276% *  1.6626% (0.20  1.00   0.02   0.02) =   0.068%
          HG2   MET   11 - HA    THR  118  29.94 +/- 7.92   0.748% *  1.8622% (0.22  1.00   0.02   0.02) =   0.045%
    Distance limit 3.90 A violated in 13 structures by 1.54 A, kept.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 6.26, residual support = 59.4:
        T HG12  ILE  119 - HA    THR  118   5.66 +/- 0.43  72.539% * 98.7917% (0.40 10.00   6.26  59.45) =  99.931%  kept
          HB3   PHE   72 - HA    THR  118  15.32 +/- 3.91   9.655% *  0.1911% (0.78  1.00   0.02   0.02) =   0.026%
          HB2   ASP-  44 - HA    THR  118  13.54 +/- 1.93   6.717% *  0.2084% (0.85  1.00   0.02   0.02) =   0.020%
          QG    GLU-  15 - HA    THR  118  21.42 +/- 4.99   2.563% *  0.2184% (0.89  1.00   0.02   0.02) =   0.008%
          QG    GLU-  14 - HA    THR  118  22.44 +/- 5.28   2.351% *  0.2034% (0.83  1.00   0.02   0.02) =   0.007%
          QB    MET   11 - HA    THR  118  25.90 +/- 7.18   1.850% *  0.1764% (0.72  1.00   0.02   0.02) =   0.005%
          QG    GLN   90 - HA    THR  118  21.75 +/- 1.34   1.429% *  0.1764% (0.72  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  29 - HA    THR  118  25.02 +/- 6.05   2.896% *  0.0340% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 14 structures by 1.75 A, kept.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.86, residual support = 41.7:
      O T HB    THR  118 - HA    THR  118   3.01 +/- 0.06  95.886% * 99.8099% (0.72  10.0 10.00   3.86  41.68) =  99.999%  kept
          HA    PHE   60 - HA    THR  118  11.23 +/- 1.65   2.364% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HA    THR  118  23.51 +/- 4.24   0.412% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  23.13 +/- 6.05   0.583% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  20.48 +/- 1.98   0.337% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  20.90 +/- 3.93   0.417% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.843, support = 0.02, residual support = 8.36:
          QD    PHE   59 - HA    THR  118   6.59 +/- 1.31  68.120% * 25.6201% (0.85   0.02  12.17) =  68.605%  kept
          HD1   TRP   27 - HA    THR  118  21.81 +/- 6.21  14.329% * 25.6201% (0.85   0.02   0.02) =  14.431%  kept
          HE21  GLN   30 - HA    THR  118  19.59 +/- 5.52   9.815% * 26.1376% (0.87   0.02   0.02) =  10.085%  kept
          HH2   TRP   49 - HA    THR  118  17.62 +/- 3.59   7.736% * 22.6222% (0.75   0.02   0.02) =   6.879%  kept
    Distance limit 3.54 A violated in 18 structures by 2.95 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.454, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   7.15 +/- 0.32  77.119% * 43.4534% (0.47   0.02   0.02) =  83.858%  kept
          HZ2   TRP   49 - HA    THR  118  17.59 +/- 3.78  11.363% * 40.2018% (0.44   0.02   0.02) =  11.431%  kept
          HE21  GLN   17 - HA    THR  118  22.10 +/- 6.05  11.519% * 16.3448% (0.18   0.02   0.02) =   4.711%  kept
    Distance limit 3.94 A violated in 20 structures by 3.15 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 6.97, residual support = 59.4:
      O   HN    ILE  119 - HA    THR  118   3.51 +/- 0.03  97.096% * 99.6357% (0.51  10.0   6.97  59.45) =  99.997%  kept
          HN    CYS   21 - HA    THR  118  20.19 +/- 4.82   1.263% *  0.1698% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LYS+  33 - HA    THR  118  23.55 +/- 4.79   0.606% *  0.0996% (0.51   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HA    THR  118  21.07 +/- 2.35   0.516% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  23.94 +/- 4.12   0.518% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.58, residual support = 41.6:
      O   HN    THR  118 - HA    THR  118   2.85 +/- 0.04  91.752% * 96.9499% (0.51  10.0   4.58  41.68) =  99.843%  kept
          HN    GLN  116 - HA    THR  118   7.18 +/- 0.23   5.762% *  2.1353% (0.28   1.0   0.81   0.13) =   0.138%  kept
          HN    PHE   60 - HA    THR  118  11.02 +/- 1.66   2.114% *  0.7663% (0.72   1.0   0.11   0.02) =   0.018%
          HN    GLU-  15 - HA    THR  118  23.46 +/- 5.54   0.372% *  0.1485% (0.78   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.389, support = 3.97, residual support = 43.1:
      O T HA    THR  118 - HB    THR  118   3.01 +/- 0.06  69.586% * 70.8861% (0.38  10.0 10.00   3.86  41.68) =  90.588%  kept
          HA    ILE  119 - HB    THR  118   4.74 +/- 0.29  18.885% * 25.9177% (0.53   1.0  1.00   5.22  59.45) =   8.989%  kept
          HD3   PRO   58 - HB    THR  118   9.70 +/- 2.77   7.923% *  2.8856% (0.49   1.0  1.00   0.63   0.02) =   0.420%  kept
          HA    VAL   75 - HB    THR  118  16.79 +/- 2.16   0.498% *  0.1443% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HB    THR  118  10.96 +/- 2.32   2.402% *  0.0291% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  19.00 +/- 3.52   0.433% *  0.0847% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    THR  118  19.67 +/- 1.71   0.274% *  0.0525% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.576, support = 4.8, residual support = 35.3:
          HG13  ILE  119 - QG2   THR  118   4.94 +/- 1.02  29.811% * 66.2730% (0.62   6.13  59.45) =  57.354%  kept
          QG1   VAL  107 - QG2   THR  118   4.08 +/- 2.41  49.536% * 28.1121% (0.51   3.15   3.03) =  40.426%  kept
          QG1   VAL   24 - QG2   THR  118  15.32 +/- 4.77  15.030% *  5.0122% (0.80   0.35   0.02) =   2.187%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.93 +/- 1.33   2.561% *  0.3039% (0.87   0.02   0.02) =   0.023%
          HB3   LEU   31 - QG2   THR  118  15.67 +/- 3.49   0.967% *  0.2287% (0.65   0.02   0.02) =   0.006%
          QB    ALA   20 - QG2   THR  118  13.29 +/- 3.28   2.095% *  0.0701% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.27 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.273, support = 2.29, residual support = 5.14:
        T HB3   ASP- 105 - QG2   THR  118   5.86 +/- 4.18  37.095% * 81.5583% (0.25 10.00   2.40   5.42) =  92.034%  kept
          QB    LYS+ 106 - QG2   THR  118   7.40 +/- 3.07  13.710% * 11.9758% (0.51  1.00   1.44   3.05) =   4.994%  kept
          HB3   PRO   58 - QG2   THR  118   9.04 +/- 3.38  19.242% *  4.7657% (0.62  1.00   0.47   0.02) =   2.790%  kept
          HB    ILE   56 - QG2   THR  118   8.39 +/- 2.41  12.927% *  0.2775% (0.85  1.00   0.02   0.02) =   0.109%  kept
          HB3   GLN   30 - QG2   THR  118  15.29 +/- 3.67   2.756% *  0.2831% (0.87  1.00   0.02   0.02) =   0.024%
          HB3   LYS+  38 - QG2   THR  118  17.37 +/- 3.14   1.106% *  0.2927% (0.89  1.00   0.02   0.02) =   0.010%
          QB    LYS+  33 - QG2   THR  118  16.56 +/- 3.21   2.622% *  0.1101% (0.34  1.00   0.02   0.02) =   0.009%
          HB2   MET   92 - QG2   THR  118  13.90 +/- 1.36   1.049% *  0.2544% (0.78  1.00   0.02   0.02) =   0.008%
          HG2   ARG+  54 - QG2   THR  118  13.62 +/- 3.41   3.396% *  0.0731% (0.22  1.00   0.02   0.02) =   0.008%
          HB    ILE  103 - QG2   THR  118  11.53 +/- 4.06   2.535% *  0.0653% (0.20  1.00   0.02   0.02) =   0.005%
          HG3   PRO   68 - QG2   THR  118  12.92 +/- 2.81   2.261% *  0.0581% (0.18  1.00   0.02   0.02) =   0.004%
          QB    LYS+  81 - QG2   THR  118  18.39 +/- 2.31   0.843% *  0.1543% (0.47  1.00   0.02   0.02) =   0.004%
          HB3   GLN   90 - QG2   THR  118  18.43 +/- 1.45   0.458% *  0.1315% (0.40  1.00   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 1 structures by 0.32 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.622, support = 3.51, residual support = 26.4:
        T HB2   ASP- 105 - QG2   THR  118   5.57 +/- 4.04  39.286% * 61.1166% (0.51 10.00   1.64   5.42) =  61.216%  kept
          HG12  ILE  119 - QG2   THR  118   4.02 +/- 0.72  39.713% * 38.2712% (0.80  1.00   6.47  59.45) =  38.750%  kept
          HB3   PHE   72 - QG2   THR  118  10.64 +/- 3.14  10.782% *  0.0642% (0.44  1.00   0.02   0.02) =   0.018%
          HB2   ASP-  44 - QG2   THR  118   9.18 +/- 1.66   4.118% *  0.0495% (0.34  1.00   0.02   0.02) =   0.005%
          HG3   MET   92 - QG2   THR  118  13.56 +/- 1.72   1.204% *  0.1218% (0.83  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  29 - QG2   THR  118  19.28 +/- 4.20   0.623% *  0.1293% (0.88  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QG2   THR  118  17.31 +/- 3.82   1.057% *  0.0542% (0.37  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   THR  118  16.57 +/- 3.62   1.208% *  0.0367% (0.25  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   THR  118  16.75 +/- 1.25   0.483% *  0.0747% (0.51  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  15.33 +/- 3.66   0.875% *  0.0367% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QG2   THR  118  16.15 +/- 1.90   0.651% *  0.0450% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.39, support = 5.15, residual support = 48.2:
      O T HA    THR  118 - QG2   THR  118   2.62 +/- 0.20  56.022% * 40.6987% (0.34  10.0 10.00   5.02  41.68) =  60.271%  kept
        T HA    ILE  119 - QG2   THR  118   3.54 +/- 0.36  25.763% * 57.0527% (0.47   1.0 10.00   5.46  59.45) =  38.855%  kept
          HD3   PRO   58 - QG2   THR  118   8.61 +/- 3.23  15.940% *  2.0702% (0.44   1.0  1.00   0.78   0.02) =   0.872%  kept
          HA    VAL   75 - QG2   THR  118  13.70 +/- 1.77   0.475% *  0.0829% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   THR  118  10.34 +/- 2.02   1.222% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   THR  118  16.58 +/- 3.27   0.331% *  0.0486% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  16.45 +/- 1.69   0.247% *  0.0302% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.03, residual support = 41.7:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  95.361% * 99.8099% (0.72  10.0 10.00   4.03  41.68) =  99.999%  kept
          HA    PHE   60 - QG2   THR  118   7.57 +/- 1.68   3.107% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QG2   THR  118  17.87 +/- 3.31   0.352% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  15.50 +/- 1.88   0.303% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  17.94 +/- 4.54   0.494% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  15.61 +/- 3.04   0.383% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 1.3, residual support = 4.16:
          HD2   HIS  122 - QG2   THR  118   3.52 +/- 0.32  85.255% * 97.3392% (0.90   1.31   4.16) =  99.828%  kept
          HE22  GLN  116 - QG2   THR  118   8.92 +/- 1.13   6.399% *  1.4880% (0.89   0.02   0.13) =   0.115%  kept
          QD    PHE   45 - QG2   THR  118  10.18 +/- 1.48   5.836% *  0.5597% (0.34   0.02   0.02) =   0.039%
          HE22  GLN   17 - QG2   THR  118  17.37 +/- 4.71   2.510% *  0.6131% (0.37   0.02   0.02) =   0.019%
    Distance limit 3.09 A violated in 0 structures by 0.47 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.847, support = 4.48, residual support = 12.2:
          QD    PHE   59 - QG2   THR  118   4.31 +/- 1.82  73.707% * 98.7215% (0.85   4.48  12.17) =  99.845%  kept
          HE21  GLN   30 - QG2   THR  118  14.60 +/- 4.09   9.943% *  0.4493% (0.87   0.02   0.02) =   0.061%
          HD1   TRP   27 - QG2   THR  118  16.48 +/- 4.51   8.525% *  0.4404% (0.85   0.02   0.02) =   0.052%
          HH2   TRP   49 - QG2   THR  118  13.69 +/- 3.03   7.826% *  0.3889% (0.75   0.02   0.02) =   0.042%
    Distance limit 3.52 A violated in 4 structures by 1.10 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.46, residual support = 59.4:
        T QG2   THR  118 - HA    ILE  119   3.54 +/- 0.36 100.000% *100.0000% (0.57 10.00   5.46  59.45) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.509, support = 4.52, residual support = 34.3:
          QB    ALA  120 - HA    ILE  119   4.96 +/- 0.04  36.107% * 50.0921% (0.45   5.29  52.29) =  59.283%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.65 +/- 0.74  26.357% * 45.2610% (0.61   3.53   8.24) =  39.101%  kept
          HG    LEU  115 - HA    ILE  119   7.50 +/- 1.31  13.655% *  3.2299% (0.45   0.34   8.96) =   1.446%  kept
          QG2   THR   26 - HA    ILE  119  18.41 +/- 4.90   5.564% *  0.3230% (0.76   0.02   0.02) =   0.059%
          QD    LYS+  66 - HA    ILE  119  12.46 +/- 4.22  11.223% *  0.1054% (0.25   0.02   0.02) =   0.039%
          HB3   LEU   40 - HA    ILE  119  15.12 +/- 4.84   3.707% *  0.2904% (0.69   0.02   0.02) =   0.035%
          HB2   LYS+  74 - HA    ILE  119  17.25 +/- 3.53   1.442% *  0.4079% (0.97   0.02   0.02) =   0.019%
          HG2   LYS+  65 - HA    ILE  119  13.57 +/- 1.56   1.945% *  0.2904% (0.69   0.02   0.02) =   0.019%
    Distance limit 3.92 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 = 0.945, support = 2.36, residual support = 23.8:
          QD    PHE   59 - HA    ILE  119   4.34 +/- 1.10  80.028% * 97.6005% (0.95   2.36  23.85) =  99.794%  kept
          HE21  GLN   30 - HA    ILE  119  18.53 +/- 5.97  11.692% *  0.8432% (0.97   0.02   0.02) =   0.126%  kept
          HH2   TRP   49 - HA    ILE  119  16.77 +/- 4.54   5.666% *  0.7298% (0.84   0.02   0.02) =   0.053%
          HD1   TRP   27 - HA    ILE  119  21.23 +/- 6.26   2.615% *  0.8265% (0.95   0.02   0.02) =   0.028%
    Distance limit 3.33 A violated in 2 structures by 0.99 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.58, residual support = 265.9:
      O   HN    ILE  119 - HA    ILE  119   2.80 +/- 0.06  97.893% * 99.7485% (0.98  10.0   8.58 265.88) =  99.999%  kept
          HN    CYS   21 - HA    ILE  119  19.01 +/- 4.22   0.976% *  0.0850% (0.84   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ILE  119  23.11 +/- 4.92   0.362% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  21.99 +/- 2.52   0.236% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.77 +/- 5.40   0.533% *  0.0157% (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 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.311, support = 5.56, residual support = 41.3:
      O   HN    ALA  120 - HA    ILE  119   3.59 +/- 0.03  66.921% * 58.5041% (0.18  10.0   6.29  52.29) =  78.330%  kept
          HN    LEU  123 - HA    ILE  119   4.93 +/- 0.41  27.268% * 39.4360% (0.80   1.0   2.95   1.49) =  21.514%  kept
          HN    ALA  124 - HA    ILE  119   9.10 +/- 0.58   4.229% *  1.7259% (0.98   1.0   0.11   0.02) =   0.146%  kept
          HE21  GLN   17 - HA    ILE  119  19.85 +/- 5.49   1.582% *  0.3341% (1.00   1.0   0.02   0.02) =   0.011%
    Distance limit 4.07 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 = 2.53, residual support = 15.6:
          HA    GLN  116 - HB    ILE  119   2.75 +/- 0.70  94.565% * 96.5655% (0.84   2.53  15.60) =  99.970%  kept
          HA    VAL   70 - HB    ILE  119  16.32 +/- 4.31   1.766% *  0.7634% (0.84   0.02   0.02) =   0.015%
          HA    VAL   18 - HB    ILE  119  18.25 +/- 3.59   1.239% *  0.4162% (0.46   0.02   0.02) =   0.006%
          HA    LYS+  33 - HB    ILE  119  26.15 +/- 4.82   0.334% *  0.5744% (0.63   0.02   0.02) =   0.002%
          HA1   GLY   16 - HB    ILE  119  21.08 +/- 4.26   0.759% *  0.2442% (0.27   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    ILE  119  25.94 +/- 5.86   0.408% *  0.4479% (0.49   0.02   0.02) =   0.002%
          HB2   SER   37 - HB    ILE  119  24.01 +/- 4.32   0.357% *  0.5117% (0.56   0.02   0.02) =   0.002%
          HA    SER   48 - HB    ILE  119  19.30 +/- 3.38   0.442% *  0.1221% (0.13   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    ILE  119  27.73 +/- 2.82   0.130% *  0.3547% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.512, support = 4.94, residual support = 50.3:
          HN    ALA  120 - HB    ILE  119   2.99 +/- 0.26  54.771% * 83.5877% (0.53   5.14  52.29) =  95.265%  kept
          HE21  GLN  116 - HB    ILE  119   4.28 +/- 1.43  32.729% *  4.2263% (0.22   0.63  15.60) =   2.878%  kept
          HN    LEU  123 - HB    ILE  119   5.97 +/- 0.72   7.795% * 11.2829% (0.27   1.36   1.49) =   1.830%  kept
          HN    ALA  124 - HB    ILE  119   9.55 +/- 1.13   1.920% *  0.4291% (0.69   0.02   0.02) =   0.017%
          HN    ALA   57 - HB    ILE  119   9.78 +/- 1.58   2.250% *  0.1060% (0.17   0.02   0.02) =   0.005%
          HE21  GLN   17 - HB    ILE  119  20.99 +/- 5.45   0.536% *  0.3681% (0.60   0.02   0.02) =   0.004%
    Distance limit 3.26 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 = 7.58, residual support = 265.9:
      O   HN    ILE  119 - HB    ILE  119   2.28 +/- 0.26  98.901% * 99.7485% (0.85  10.0   7.58 265.88) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  19.67 +/- 4.87   0.717% *  0.0850% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    ILE  119  22.35 +/- 2.68   0.123% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.24 +/- 4.42   0.106% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  24.63 +/- 5.03   0.154% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.558, support = 3.77, residual support = 51.3:
          HA    ALA  120 - QG2   ILE  119   3.41 +/- 0.58  67.505% * 85.2341% (0.57   3.83  52.29) =  97.736%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.34 +/- 0.17  12.013% * 10.3277% (0.20   1.33   8.24) =   2.107%  kept
          HD2   PRO   52 - QG2   ILE  119  14.12 +/- 3.08   7.649% *  0.6004% (0.76   0.02   0.02) =   0.078%
          HA    LYS+  65 - QG2   ILE  119  12.04 +/- 2.05   1.899% *  0.7431% (0.95   0.02   0.02) =   0.024%
          HA2   GLY   16 - QG2   ILE  119  17.26 +/- 3.59   1.204% *  0.7045% (0.90   0.02   0.02) =   0.014%
          QB    SER   48 - QG2   ILE  119  15.91 +/- 3.30   2.700% *  0.2680% (0.34   0.02   0.02) =   0.012%
          HA    SER   48 - QG2   ILE  119  16.68 +/- 3.35   1.892% *  0.2425% (0.31   0.02   0.02) =   0.008%
          HA2   GLY   51 - QG2   ILE  119  15.18 +/- 2.93   2.597% *  0.1212% (0.15   0.02   0.02) =   0.005%
          HB    THR   94 - QG2   ILE  119  14.09 +/- 1.85   1.341% *  0.1959% (0.25   0.02   0.02) =   0.004%
          HA    GLN   32 - QG2   ILE  119  21.26 +/- 4.69   0.537% *  0.4448% (0.57   0.02   0.02) =   0.004%
          QB    SER   85 - QG2   ILE  119  21.38 +/- 2.03   0.338% *  0.7045% (0.90   0.02   0.02) =   0.004%
          HA    ALA   88 - QG2   ILE  119  21.79 +/- 2.42   0.326% *  0.4133% (0.53   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.556, support = 5.43, residual support = 43.6:
          HN    ALA  120 - QG2   ILE  119   3.16 +/- 0.62  40.589% * 71.7935% (0.61   5.74  52.29) =  82.702%  kept
          HN    LEU  123 - QG2   ILE  119   4.05 +/- 0.38  22.747% * 25.8140% (0.31   4.06   1.49) =  16.665%  kept
          HE21  GLN  116 - QG2   ILE  119   4.40 +/- 1.32  25.120% *  0.5648% (0.25   0.11  15.60) =   0.403%  kept
          HN    ALA  124 - QG2   ILE  119   6.74 +/- 0.68   4.994% *  1.4631% (0.80   0.09   0.02) =   0.207%  kept
          HN    ALA   57 - QG2   ILE  119   8.24 +/- 1.78   5.159% *  0.0816% (0.20   0.02   0.02) =   0.012%
          HE21  GLN   17 - QG2   ILE  119  16.84 +/- 4.62   1.391% *  0.2831% (0.69   0.02   0.02) =   0.011%
    Distance limit 3.54 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 = 7.85, residual support = 265.8:
          HN    ILE  119 - QG2   ILE  119   3.54 +/- 0.23  89.159% * 99.2720% (0.80   7.85 265.88) =  99.984%  kept
          HN    CYS   21 - QG2   ILE  119  16.34 +/- 4.63   9.463% *  0.1078% (0.34   0.02   0.02) =   0.012%
          HN    SER   37 - QG2   ILE  119  20.69 +/- 4.14   0.781% *  0.3153% (1.00   0.02   0.02) =   0.003%
          HN    ILE   89 - QG2   ILE  119  19.74 +/- 2.09   0.597% *  0.3049% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.94 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 = 0.843, support = 1.72, residual support = 7.58:
          QD2   LEU  115 - HG12  ILE  119   4.21 +/- 1.62  51.283% * 76.0912% (0.90   1.90   8.96) =  83.959%  kept
          QD1   LEU   63 - HG12  ILE  119   6.88 +/- 2.58  35.282% * 20.8939% (0.57   0.82   0.38) =  15.861%  kept
          QD1   LEU  104 - HG12  ILE  119  11.90 +/- 3.40   4.221% *  0.8947% (1.00   0.02   0.02) =   0.081%
          QD1   LEU   73 - HG12  ILE  119  13.94 +/- 4.00   6.630% *  0.5065% (0.57   0.02   0.02) =   0.072%
          QD2   LEU   80 - HG12  ILE  119  18.81 +/- 2.13   0.781% *  0.8259% (0.92   0.02   0.02) =   0.014%
          QG1   VAL   83 - HG12  ILE  119  17.84 +/- 1.95   0.719% *  0.6497% (0.73   0.02   0.02) =   0.010%
          QG2   ILE   89 - HG12  ILE  119  15.29 +/- 1.84   1.083% *  0.1380% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.77 A violated in 1 structures by 0.31 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.845, support = 2.73, residual support = 7.64:
          QD2   LEU  115 - HG13  ILE  119   4.70 +/- 2.03  51.142% * 78.5795% (0.90   3.01   8.96) =  84.604%  kept
          QD1   LEU   63 - HG13  ILE  119   7.08 +/- 2.99  37.307% * 19.4613% (0.57   1.18   0.38) =  15.285%  kept
          QD1   LEU  104 - HG13  ILE  119  12.56 +/- 3.32   5.929% *  0.5814% (1.00   0.02   0.02) =   0.073%
          QD1   LEU   73 - HG13  ILE  119  14.48 +/- 3.96   2.599% *  0.3292% (0.57   0.02   0.02) =   0.018%
          QD2   LEU   80 - HG13  ILE  119  19.33 +/- 2.15   0.966% *  0.5367% (0.92   0.02   0.02) =   0.011%
          QG1   VAL   83 - HG13  ILE  119  18.49 +/- 1.93   0.839% *  0.4222% (0.73   0.02   0.02) =   0.007%
          QG2   ILE   89 - HG13  ILE  119  15.94 +/- 2.05   1.219% *  0.0897% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.98 A violated in 3 structures by 0.38 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  11.07 +/- 3.47 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.69 A violated in 19 structures by 7.42 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 3.71, residual support = 23.8:
          QD    PHE   59 - HG13  ILE  119   3.19 +/- 0.68  88.093% * 98.4606% (0.95   3.71  23.85) =  99.929%  kept
          HE21  GLN   30 - HG13  ILE  119  18.80 +/- 5.43   7.592% *  0.5409% (0.97   0.02   0.02) =   0.047%
          HH2   TRP   49 - HG13  ILE  119  15.53 +/- 4.30   3.057% *  0.4682% (0.84   0.02   0.02) =   0.016%
          HD1   TRP   27 - HG13  ILE  119  21.19 +/- 5.79   1.257% *  0.5302% (0.95   0.02   0.02) =   0.008%
    Distance limit 3.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.94, residual support = 265.9:
          HN    ILE  119 - HG13  ILE  119   3.45 +/- 0.76  96.245% * 99.2803% (0.80   7.94 265.88) =  99.993%  kept
          HN    CYS   21 - HG13  ILE  119  18.73 +/- 4.08   2.358% *  0.1066% (0.34   0.02   0.02) =   0.003%
          HN    SER   37 - HG13  ILE  119  23.89 +/- 4.29   0.748% *  0.3117% (1.00   0.02   0.02) =   0.002%
          HN    ILE   89 - HG13  ILE  119  21.54 +/- 2.52   0.650% *  0.3015% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.34, residual support = 23.8:
          QD    PHE   59 - HG12  ILE  119   2.83 +/- 1.09  92.681% * 99.1095% (0.84   4.35  23.85) =  99.982%  kept
          HH2   TRP   49 - HG12  ILE  119  15.06 +/- 4.11   4.630% *  0.1686% (0.31   0.02   0.02) =   0.008%
          HE21  GLN   30 - HG12  ILE  119  18.38 +/- 5.34   1.889% *  0.2658% (0.49   0.02   0.02) =   0.005%
          HD1   TRP   27 - HG12  ILE  119  20.69 +/- 5.51   0.800% *  0.4561% (0.84   0.02   0.02) =   0.004%
    Distance limit 3.55 A violated in 2 structures by 0.21 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.59, residual support = 265.9:
          HN    ILE  119 - HG12  ILE  119   2.71 +/- 0.54  98.552% * 99.3345% (0.80   8.59 265.88) =  99.997%  kept
          HN    ILE   89 - HG12  ILE  119  20.69 +/- 2.46   0.407% *  0.2788% (0.97   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE  119  23.48 +/- 4.00   0.298% *  0.2882% (1.00   0.02   0.02) =   0.001%
          HN    CYS   21 - HG12  ILE  119  18.43 +/- 3.73   0.743% *  0.0985% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.61 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   8.98 +/- 3.05 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.14 A violated in 17 structures by 5.84 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.303, support = 3.01, residual support = 5.68:
          QD2   LEU  115 - QD1   ILE  119   3.68 +/- 1.79  51.663% * 51.6113% (0.40  1.00   4.30   8.96) =  61.744%  kept
        T QD1   LEU   63 - QD1   ILE  119   5.61 +/- 2.39  38.675% * 42.3059% (0.15 10.00   0.94   0.38) =  37.887%  kept
        T QD1   LEU  104 - QD1   ILE  119  10.60 +/- 2.91   2.685% *  4.0082% (0.66 10.00   0.02   0.02) =   0.249%  kept
        T QD1   LEU   73 - QD1   ILE  119  11.77 +/- 3.37   4.795% *  0.9003% (0.15 10.00   0.02   0.02) =   0.100%
          QG1   VAL   83 - QD1   ILE  119  15.23 +/- 1.82   0.618% *  0.5822% (0.96  1.00   0.02   0.02) =   0.008%
          QG2   ILE   89 - QD1   ILE  119  13.12 +/- 1.84   0.924% *  0.3304% (0.55  1.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - QD1   ILE  119  15.83 +/- 2.10   0.640% *  0.2616% (0.43  1.00   0.02   0.02) =   0.004%
    Distance limit 2.62 A violated in 2 structures by 0.43 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.88, residual support = 15.6:
        T HA    GLN  116 - QD1   ILE  119   3.19 +/- 0.74  82.480% * 99.4587% (0.51 10.00   3.89  15.60) =  99.980%  kept
          HA    VAL   70 - QD1   ILE  119  11.96 +/- 3.82  11.541% *  0.0995% (0.51  1.00   0.02   0.02) =   0.014%
          HB2   SER   37 - QD1   ILE  119  18.75 +/- 3.67   1.019% *  0.1886% (0.96  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QD1   ILE  119  16.28 +/- 2.93   1.027% *  0.1514% (0.77  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QD1   ILE  119  13.89 +/- 2.41   2.122% *  0.0256% (0.13  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QD1   ILE  119  20.38 +/- 4.56   1.127% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  20.65 +/- 3.86   0.684% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.81, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119  10.20 +/- 3.23  47.759% * 81.6578% (0.96 10.00   0.02   0.02) =  80.276%  kept
        T QD    PHE   72 - QD1   ILE  119   9.62 +/- 3.18  52.241% * 18.3422% (0.21 10.00   0.02   0.02) =  19.724%  kept
    Distance limit 3.38 A violated in 17 structures by 5.13 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.632, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.44 +/- 2.02  53.670% * 23.3518% (0.47   0.02   0.02) =  43.308%  kept
          QE    PHE   72 - QD1   ILE  119   9.19 +/- 2.91  30.475% * 29.0981% (0.59   0.02   0.02) =  30.642%  kept
          HN    ALA   47 - QD1   ILE  119  12.44 +/- 2.36  15.855% * 47.5501% (0.96   0.02   0.02) =  26.051%  kept
    Distance limit 3.43 A violated in 16 structures by 2.52 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.844, support = 1.57, residual support = 19.5:
          HN    HIS  122 - QD1   ILE  119   5.55 +/- 0.80  36.567% * 96.4059% (0.87   1.63  19.28) =  95.996%  kept
          HN    PHE   59 - QD1   ILE  119   4.44 +/- 1.61  61.652% *  2.3493% (0.33   0.10  23.85) =   3.944%  kept
          HH2   TRP   87 - QD1   ILE  119  16.93 +/- 3.34   1.781% *  1.2447% (0.91   0.02   0.02) =   0.060%
    Distance limit 3.57 A violated in 0 structures by 0.43 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.99, residual support = 265.8:
          HN    ILE  119 - QD1   ILE  119   3.76 +/- 0.21  92.231% * 99.2840% (0.95   6.99 265.88) =  99.983%  kept
          HN    CYS   21 - QD1   ILE  119  15.17 +/- 3.72   4.261% *  0.2420% (0.81   0.02   0.02) =   0.011%
          HN    ILE   89 - QD1   ILE  119  17.80 +/- 2.24   1.163% *  0.2420% (0.81   0.02   0.02) =   0.003%
          HN    SER   37 - QD1   ILE  119  19.86 +/- 3.65   0.987% *  0.1874% (0.62   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE  119  19.34 +/- 4.01   1.358% *  0.0447% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.14, residual support = 28.9:
        T QD1   LEU  123 - HA    ALA  120   2.90 +/- 0.78  84.613% * 99.1996% (0.45 10.00   5.14  28.88) =  99.974%  kept
          QG1   VAL   70 - HA    ALA  120  13.85 +/- 4.36   6.667% *  0.1520% (0.69  1.00   0.02   0.02) =   0.012%
          HB3   LEU   63 - HA    ALA  120  13.18 +/- 3.27   2.042% *  0.2169% (0.98  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HA    ALA  120  15.77 +/- 4.63   1.892% *  0.1772% (0.80  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - HA    ALA  120  16.97 +/- 5.20   2.496% *  0.0992% (0.45  1.00   0.02   0.02) =   0.003%
          QG1   VAL  108 - HA    ALA  120  15.60 +/- 1.79   0.739% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  15.24 +/- 5.42   1.550% *  0.0388% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.547, support = 4.92, residual support = 21.9:
          HN    LEU  123 - HA    ALA  120   2.74 +/- 0.16  45.216% * 47.3872% (0.80   1.0   6.03  28.88) =  56.443%  kept
      O   HN    ALA  120 - HA    ALA  120   2.73 +/- 0.03  45.521% * 34.3480% (0.18  10.0   3.57  13.48) =  41.188%  kept
          HN    ALA  124 - HA    ALA  120   5.86 +/- 0.58   4.932% * 18.0687% (0.98   1.0   1.88   0.02) =   2.347%  kept
          HE21  GLN   17 - HA    ALA  120  22.32 +/- 7.15   4.331% *  0.1961% (1.00   1.0   0.02   0.02) =   0.022%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.44, residual support = 313.8:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  98.473% * 99.7700% (0.45  10.0   6.44 313.78) =  99.999%  kept
          HZ2   TRP   49 - HA    LYS+ 121  21.54 +/- 4.36   0.384% *  0.2105% (0.95   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HA    LYS+  65  18.74 +/- 3.95   0.618% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  16.84 +/- 1.91   0.525% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.915, support = 3.63, residual support = 7.19:
          HA    THR  118 - HB2   LYS+ 121   3.83 +/- 0.95  57.195% * 42.1844% (0.87   3.29   6.20) =  51.303%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.53 +/- 0.37  40.122% * 57.0669% (0.97   4.00   8.24) =  48.686%  kept
          HB2   TRP   49 - HB2   LYS+ 121  23.07 +/- 4.38   0.775% *  0.2730% (0.92   0.02   0.02) =   0.005%
          HA2   GLY  109 - HB2   LYS+ 121  15.70 +/- 2.44   1.134% *  0.1674% (0.57   0.02   0.02) =   0.004%
          HA    ALA   84 - HB2   LYS+ 121  23.53 +/- 2.38   0.309% *  0.2260% (0.76   0.02   0.02) =   0.001%
          HA    VAL   75 - HB2   LYS+ 121  19.94 +/- 2.23   0.464% *  0.0822% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.732, support = 2.57, residual support = 6.39:
        T HA    THR  118 - HB3   LYS+ 121   3.86 +/- 0.46  69.564% * 79.5803% (0.72 10.00   2.36   6.20) =  90.851%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.37 +/- 0.49  27.607% * 20.1875% (0.81  1.00   4.56   8.24) =   9.146%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.71 +/- 2.64   1.372% *  0.0519% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  23.74 +/- 4.43   0.491% *  0.0847% (0.77  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB3   LYS+ 121  23.81 +/- 2.52   0.367% *  0.0701% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  20.43 +/- 2.31   0.599% *  0.0255% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.39, residual support = 313.8:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.66 +/- 0.52  99.636% * 99.9582% (0.75  10.0   6.39 313.78) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  20.09 +/- 3.99   0.364% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.38, residual support = 54.5:
          HN    HIS  122 - HB3   LYS+ 121   3.92 +/- 0.37  94.286% * 99.5521% (0.75   6.38  54.49) =  99.990%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.25 +/- 2.36   4.428% *  0.1187% (0.28   0.02   0.02) =   0.006%
          HH2   TRP   87 - HB3   LYS+ 121  20.44 +/- 6.11   1.287% *  0.3292% (0.79   0.02   0.02) =   0.005%
    Distance limit 3.87 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.7, residual support = 54.5:
          HN    HIS  122 - HB2   LYS+ 121   3.32 +/- 0.17  83.286% * 99.2675% (0.41   7.71  54.49) =  99.956%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.68 +/- 1.38   8.169% *  0.2137% (0.34   0.02   0.02) =   0.021%
          HD1   TRP   27 - HB2   LYS+ 121  22.04 +/- 7.40   7.754% *  0.2137% (0.34   0.02   0.02) =   0.020%
          HH2   TRP   87 - HB2   LYS+ 121  20.30 +/- 5.95   0.790% *  0.3050% (0.49   0.02   0.02) =   0.003%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.94, residual support = 313.8:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.51 +/- 0.40  99.520% * 99.9061% (0.92  10.0   6.94 313.78) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  19.55 +/- 4.02   0.480% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.524, support = 1.77, residual support = 19.1:
          QG2   ILE  119 - HB2   HIS  122   4.59 +/- 0.92  44.868% * 97.5029% (0.53   1.78  19.28) =  99.284%  kept
          QD2   LEU   67 - HB2   HIS  122  13.12 +/- 5.59  15.878% *  0.8559% (0.41   0.02   0.02) =   0.308%  kept
          QD1   LEU   40 - HB2   HIS  122  10.90 +/- 5.82  24.587% *  0.4120% (0.20   0.02   0.02) =   0.230%  kept
          QD2   LEU   71 - HB2   HIS  122  13.74 +/- 5.01  13.603% *  0.5191% (0.25   0.02   0.02) =   0.160%  kept
          QD1   ILE  103 - HB2   HIS  122  16.52 +/- 4.48   1.065% *  0.7101% (0.34   0.02   0.02) =   0.017%
    Distance limit 3.59 A violated in 0 structures by 0.44 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.537, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  11.53 +/- 6.24  26.436% * 20.0916% (0.69   0.02   0.02) =  44.355%  kept
          QD2   LEU  115 - HB2   HIS  122   9.76 +/- 1.70  29.941% * 12.0248% (0.41   0.02   0.02) =  30.065%  kept
          QD1   LEU   63 - HB2   HIS  122   9.32 +/- 3.17  30.786% *  4.5130% (0.15   0.02   0.02) =  11.602%  kept
          QG1   VAL   83 - HB2   HIS  122  20.32 +/- 3.01   2.195% * 29.1845% (1.00   0.02   0.02) =   5.348%  kept
          QG2   ILE   89 - HB2   HIS  122  19.09 +/- 2.32   2.985% * 16.5597% (0.57   0.02   0.02) =   4.128%  kept
          QD2   LEU   80 - HB2   HIS  122  21.06 +/- 2.72   2.249% * 13.1134% (0.45   0.02   0.02) =   2.462%  kept
          QD1   LEU   73 - HB2   HIS  122  15.88 +/- 3.68   5.409% *  4.5130% (0.15   0.02   0.02) =   2.039%  kept
    Distance limit 4.16 A violated in 16 structures by 2.69 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 76.0:
      O   HD2   HIS  122 - HB2   HIS  122   3.79 +/- 0.40  91.203% * 99.8219% (1.00  10.0   3.91  75.97) =  99.993%  kept
          HE22  GLN  116 - HB2   HIS  122  11.30 +/- 2.17   5.531% *  0.0996% (1.00   1.0   0.02   0.02) =   0.006%
          HE22  GLN   17 - HB2   HIS  122  19.92 +/- 6.26   1.851% *  0.0410% (0.41   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HB2   HIS  122  17.24 +/- 2.52   1.415% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.30 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 = 75.9:
      O   HN    HIS  122 - HB2   HIS  122   3.49 +/- 0.38  84.801% * 98.8820% (0.41  10.0   5.98  75.97) =  99.892%  kept
          QD    PHE   59 - HB2   HIS  122   7.89 +/- 1.47   9.335% *  0.9189% (0.34   1.0   0.22   0.02) =   0.102%  kept
          HD1   TRP   27 - HB2   HIS  122  22.04 +/- 7.71   5.149% *  0.0820% (0.34   1.0   0.02   0.02) =   0.005%
          HH2   TRP   87 - HB2   HIS  122  22.23 +/- 5.99   0.715% *  0.1171% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.86 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 = 4.28, residual support = 76.0:
      O   HD2   HIS  122 - HB3   HIS  122   3.08 +/- 0.37  90.878% * 99.8219% (1.00  10.0   4.28  75.97) =  99.993%  kept
          HE22  GLN  116 - HB3   HIS  122  10.24 +/- 2.45   4.041% *  0.0996% (1.00   1.0   0.02   0.02) =   0.004%
          HE22  GLN   17 - HB3   HIS  122  20.12 +/- 6.29   4.345% *  0.0410% (0.41   1.0   0.02   0.02) =   0.002%
          QD    PHE   45 - HB3   HIS  122  16.77 +/- 2.26   0.736% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 6.55, residual support = 76.0:
      O   HN    HIS  122 - HB3   HIS  122   2.72 +/- 0.41  96.616% * 99.8567% (0.90  10.0   6.55  75.97) =  99.998%  kept
          HN    PHE   59 - HB3   HIS  122  10.16 +/- 2.22   2.993% *  0.0380% (0.34   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB3   HIS  122  21.87 +/- 5.57   0.391% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.519, support = 1.73, residual support = 18.9:
          QG2   ILE  119 - HB3   HIS  122   3.58 +/- 1.08  50.818% * 93.9938% (0.53  1.00   1.77  19.28) =  97.825%  kept
        T QD1   LEU   40 - HB3   HIS  122  11.10 +/- 5.32  22.348% *  3.9879% (0.20 10.00   0.02   0.02) =   1.825%  kept
          QD2   LEU   67 - HB3   HIS  122  13.14 +/- 5.33  10.321% *  0.8284% (0.41  1.00   0.02   0.02) =   0.175%  kept
          QD2   LEU   71 - HB3   HIS  122  13.90 +/- 5.11  15.231% *  0.5025% (0.25  1.00   0.02   0.02) =   0.157%  kept
          QD1   ILE  103 - HB3   HIS  122  16.28 +/- 4.06   1.282% *  0.6874% (0.34  1.00   0.02   0.02) =   0.018%
    Distance limit 3.66 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.667, support = 3.7, residual support = 27.2:
          HA    ALA  120 - HG    LEU  123   3.10 +/- 0.96  66.343% * 74.2401% (0.68  1.00   3.84  28.88) =  93.649%  kept
          HA    LYS+ 121 - HG    LEU  123   6.77 +/- 0.92  14.119% * 22.7521% (0.47  1.00   1.70   2.86) =   6.108%  kept
        T HD2   PRO   52 - HG    LEU  123  19.90 +/- 4.82  11.033% *  0.9738% (0.17 10.00   0.02   0.02) =   0.204%  kept
          HA    LYS+  65 - HG    LEU  123  16.97 +/- 3.15   1.447% *  0.3262% (0.57  1.00   0.02   0.02) =   0.009%
          QB    SER  117 - HG    LEU  123   8.99 +/- 1.12   3.248% *  0.1332% (0.23  1.00   0.02   0.02) =   0.008%
          HA2   GLY   51 - HG    LEU  123  21.20 +/- 4.64   1.643% *  0.2369% (0.42  1.00   0.02   0.02) =   0.007%
          HA2   GLY   16 - HG    LEU  123  21.38 +/- 5.80   0.887% *  0.3502% (0.62  1.00   0.02   0.02) =   0.006%
          QB    SER   48 - HG    LEU  123  21.73 +/- 4.82   0.676% *  0.3388% (0.60  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - HG    LEU  123  19.76 +/- 1.71   0.430% *  0.2985% (0.52  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HG    LEU  123  28.00 +/- 2.41   0.174% *  0.3502% (0.62  1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.06 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   3.31 +/- 0.43  91.316% * 99.5544% (0.36   5.81 203.91) =  99.977%  kept
          HZ2   TRP   49 - HG    LEU  123  20.09 +/- 6.23   5.070% *  0.3168% (0.33   0.02   0.02) =   0.018%
          HE21  GLN   17 - HG    LEU  123  21.50 +/- 6.80   3.614% *  0.1288% (0.14   0.02   0.02) =   0.005%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.973, support = 3.04, residual support = 27.4:
          HA    ALA  120 - HB3   LEU  123   3.85 +/- 0.46  74.997% * 72.5300% (0.99   3.13  28.88) =  94.144%  kept
          HA    LYS+ 121 - HB3   LEU  123   7.17 +/- 0.39  13.466% * 24.9198% (0.69   1.55   2.86) =   5.808%  kept
          HA2   GLY   16 - HB3   LEU  123  22.10 +/- 6.79   1.645% *  0.4191% (0.90   0.02   0.02) =   0.012%
          QB    SER  117 - HB3   LEU  123  10.24 +/- 0.66   4.195% *  0.1594% (0.34   0.02   0.02) =   0.012%
          HA    LYS+  65 - HB3   LEU  123  18.60 +/- 3.58   1.035% *  0.3903% (0.84   0.02   0.02) =   0.007%
          HD2   PRO   52 - HB3   LEU  123  21.74 +/- 4.66   2.521% *  0.1165% (0.25   0.02   0.02) =   0.005%
          QB    SER   48 - HB3   LEU  123  23.38 +/- 4.88   0.628% *  0.4053% (0.87   0.02   0.02) =   0.004%
          HA2   GLY   51 - HB3   LEU  123  22.96 +/- 4.58   0.813% *  0.2834% (0.61   0.02   0.02) =   0.004%
          HB    THR   94 - HB3   LEU  123  21.69 +/- 1.86   0.498% *  0.3571% (0.76   0.02   0.02) =   0.003%
          QB    SER   85 - HB3   LEU  123  29.54 +/- 2.72   0.202% *  0.4191% (0.90   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.906, support = 5.59, residual support = 169.8:
      O   HN    LEU  123 - HB3   LEU  123   3.62 +/- 0.08  35.978% * 88.3773% (0.98  10.0   5.82 203.91) =  82.183%  kept
          HN    ALA  124 - HB3   LEU  123   3.05 +/- 0.16  59.605% * 11.5607% (0.57   1.0   4.53  12.34) =  17.810%  kept
          HE21  GLN   17 - HB3   LEU  123  22.49 +/- 7.75   4.417% *  0.0619% (0.69   1.0   0.02   0.02) =   0.007%
    Distance limit 3.24 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 = 0.908, support = 2.68, residual support = 21.8:
          HA    ALA  120 - HB2   LEU  123   2.51 +/- 0.99  82.511% * 24.1199% (0.99  1.00   3.16  28.88) =  72.871%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.90 +/- 0.70  10.010% * 73.8830% (0.69 10.00   1.40   2.86) =  27.079%  kept
        T HA    LYS+  65 - HB2   LEU  123  18.02 +/- 3.16   0.583% *  1.2857% (0.84 10.00   0.02   0.02) =   0.027%
          HA2   GLY   16 - HB2   LEU  123  21.86 +/- 6.56   2.367% *  0.1380% (0.90  1.00   0.02   0.02) =   0.012%
          QB    SER  117 - HB2   LEU  123   9.09 +/- 0.98   2.827% *  0.0525% (0.34  1.00   0.02   0.02) =   0.005%
          HB    THR   94 - HB2   LEU  123  20.51 +/- 1.78   0.383% *  0.1176% (0.76  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HB2   LEU  123  22.79 +/- 4.41   0.265% *  0.1335% (0.87  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LEU  123  22.43 +/- 4.24   0.365% *  0.0934% (0.61  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   LEU  123  21.11 +/- 4.30   0.546% *  0.0384% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU  123  28.58 +/- 2.58   0.144% *  0.1380% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.966, support = 6.18, residual support = 197.2:
      O   HN    LEU  123 - HB2   LEU  123   2.58 +/- 0.34  72.122% * 89.0330% (0.98  10.0   6.26 203.91) =  96.482%  kept
          HN    ALA  124 - HB2   LEU  123   4.05 +/- 0.17  21.435% * 10.9046% (0.57   1.0   4.24  12.34) =   3.512%  kept
          HE21  GLN   17 - HB2   LEU  123  22.20 +/- 7.47   6.442% *  0.0624% (0.69   1.0   0.02   0.02) =   0.006%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.562, support = 5.13, residual support = 28.6:
        T HA    ALA  120 - QD1   LEU  123   2.90 +/- 0.78  75.797% * 92.6804% (0.57 10.00   5.14  28.88) =  98.791%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.51 +/- 0.68  14.237% *  5.9400% (0.20  1.00   3.67   2.86) =   1.189%  kept
        T HA    SER   48 - QD1   LEU  123  18.85 +/- 3.99   0.889% *  0.5053% (0.31 10.00   0.02   0.02) =   0.006%
          HA    LYS+  65 - QD1   LEU  123  13.49 +/- 2.90   1.726% *  0.1549% (0.95  1.00   0.02   0.02) =   0.004%
          HD2   PRO   52 - QD1   LEU  123  16.33 +/- 3.90   1.932% *  0.1251% (0.76  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QD1   LEU  123  17.47 +/- 4.51   1.104% *  0.1468% (0.90  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QD1   LEU  123  21.59 +/- 5.92   1.060% *  0.0927% (0.57  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD1   LEU  123  17.78 +/- 3.85   1.312% *  0.0558% (0.34  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD1   LEU  123  23.09 +/- 2.06   0.212% *  0.1468% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.27 +/- 1.54   0.607% *  0.0408% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  17.39 +/- 3.79   0.911% *  0.0253% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  23.82 +/- 2.37   0.212% *  0.0861% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.579, support = 1.84, residual support = 9.26:
      O   HN    ALA  124 - QB    ALA  124   2.34 +/- 0.31  87.509% * 79.3817% (0.57  10.0   1.82   9.16) =  96.881%  kept
          HN    LEU  123 - QB    ALA  124   5.23 +/- 0.44  10.894% * 20.5122% (0.98   1.0   2.71  12.34) =   3.116%  kept
          HE21  GLN   17 - QB    ALA  124  20.64 +/- 7.06   1.597% *  0.1061% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.42 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 = 1.83, residual support = 9.22:
      O   HN    ALA  124 - HA    ALA  124   2.76 +/- 0.24  78.233% * 88.9918% (0.98  10.0   1.82   9.16) =  98.053%  kept
          HN    LEU  123 - HA    ALA  124   5.32 +/- 0.43  12.690% * 10.8565% (0.80   1.0   2.71  12.34) =   1.940%  kept
          HE21  GLN   17 - HA    ALA  124  24.35 +/- 8.43   3.718% *  0.1000% (1.00   1.0   0.02   0.02) =   0.005%
          HN    ALA  120 - HA    ALA  124   8.92 +/- 1.06   3.090% *  0.0175% (0.18   1.0   0.02   0.02) =   0.001%
          HE21  GLN   17 - HA    ALA   34  15.95 +/- 4.47   0.724% *  0.0116% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  22.06 +/- 6.34   0.724% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  24.32 +/- 7.59   0.498% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  22.77 +/- 4.45   0.322% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.93, support = 4.75, residual support = 66.0:
      O   HN    ALA  124 - HA    LEU  123   2.27 +/- 0.03  65.389% * 55.0021% (0.98  10.0   4.16  12.34) =  71.971%  kept
      O   HN    LEU  123 - HA    LEU  123   2.91 +/- 0.03  31.171% * 44.9320% (0.80  10.0   6.24 203.91) =  28.027%  kept
          HE21  GLN   17 - HA    LEU  123  21.62 +/- 7.50   1.129% *  0.0561% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ALA  120 - HA    LEU  123   7.00 +/- 0.40   2.311% *  0.0098% (0.18   1.0   0.02  28.88) =   0.000%
    Distance limit 3.24 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  19.44 +/- 6.37 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.35 A violated in 20 structures by 16.09 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.98, residual support = 23.6:
      O   HN    ILE  103 - HA    LYS+ 102   2.29 +/- 0.12  99.057% * 99.7350% (0.69  10.0   5.98  23.56) =  99.999%  kept
          HN    GLN   90 - HA    LYS+ 102  20.56 +/- 2.79   0.173% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  20.80 +/- 4.69   0.213% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  22.17 +/- 6.17   0.383% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.14 +/- 0.69   0.174% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 15.1:
      O   HN    PHE   95 - HA    THR   94   2.38 +/- 0.19 100.000% *100.0000% (0.73  10.0   3.16  15.11) = 100.000%  kept
    Distance limit 2.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.85, residual support = 85.5:
      O   HN    LEU   80 - HB2   LEU   80   3.17 +/- 0.64  95.844% * 99.7811% (1.00  10.0   5.85  85.52) =  99.997%  kept
          HN    ALA   34 - HB2   LEU   80  18.78 +/- 6.03   1.229% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   80  18.77 +/- 3.68   0.867% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  18.06 +/- 7.34   2.060% *  0.0278% (0.28   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.36, residual support = 85.5:
      O   HN    LEU   80 - HB3   LEU   80   3.16 +/- 0.41  97.296% * 99.7811% (1.00  10.0   6.36  85.52) =  99.998%  kept
          HN    CYS   53 - HB3   LEU   80  18.60 +/- 3.52   0.931% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    ALA   34 - HB3   LEU   80  19.49 +/- 6.14   0.706% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  18.84 +/- 7.37   1.067% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 5.31, residual support = 85.2:
      O   HA    LEU   80 - HB3   LEU   80   2.85 +/- 0.17  84.578% * 95.3702% (0.98  10.0   5.33  85.52) =  99.619%  kept
          HA    ASP-  78 - HB3   LEU   80   6.88 +/- 0.70   7.270% *  3.3444% (0.61   1.0   1.13   6.13) =   0.300%  kept
          HA    THR   23 - HB3   LEU   80  14.18 +/- 9.47   5.596% *  1.1352% (0.90   1.0   0.26   0.77) =   0.078%
          HB    THR   23 - HB3   LEU   80  15.71 +/- 8.83   2.285% *  0.0873% (0.90   1.0   0.02   0.77) =   0.002%
          HA    ASP- 105 - HB3   LEU   80  20.78 +/- 3.30   0.271% *  0.0629% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.452, support = 4.28, residual support = 85.5:
      O   QD2   LEU   80 - HB3   LEU   80   2.95 +/- 0.37  38.241% * 77.3053% (0.57  10.0  1.00   4.10  85.52) =  73.640%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.47 +/- 0.41  57.095% * 18.4793% (0.14  10.0  1.00   4.78  85.52) =  26.282%  kept
        T QD1   LEU   73 - HB3   LEU   80  10.33 +/- 3.55   1.650% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.052%
        T QD1   LEU   63 - HB3   LEU   80  15.21 +/- 3.28   0.402% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.013%
        T QD2   LEU   63 - HB3   LEU   80  15.42 +/- 2.63   0.310% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU  104 - HB3   LEU   80  17.36 +/- 3.69   0.299% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   41 - HB3   LEU   80  12.55 +/- 3.60   0.821% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   80  17.04 +/- 2.89   0.253% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   80  12.26 +/- 4.14   0.929% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.93, residual support = 85.0:
      O   HA    LEU   80 - HG    LEU   80   3.25 +/- 0.51  55.391% * 95.5463% (0.63  10.0   4.96  85.52) =  99.412%  kept
          HA    ASP-  78 - HG    LEU   80   8.15 +/- 1.04   6.188% *  2.5812% (0.39   1.0   0.87   6.13) =   0.300%  kept
          HA    THR   23 - HG    LEU   80  12.77 +/-10.57  12.492% *  1.1373% (0.58   1.0   0.26   0.77) =   0.267%  kept
          HB    THR   23 - HG    LEU   80  14.30 +/- 9.92   3.629% *  0.0874% (0.58   1.0   0.02   0.77) =   0.006%
          HA    LEU   80 - HG12  ILE   19  19.81 +/- 9.02   4.763% *  0.0325% (0.22   1.0   0.02   0.02) =   0.003%
          HB    THR   23 - HG12  ILE   19  11.08 +/- 2.40   2.965% *  0.0298% (0.20   1.0   0.02   0.02) =   0.002%
          HA    THR   23 - HG    LEU   73  12.03 +/- 3.91   2.428% *  0.0347% (0.23   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HG    LEU   40  11.66 +/- 1.38   1.772% *  0.0474% (0.31   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HG    LEU   73  12.54 +/- 3.77   2.050% *  0.0347% (0.23   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  11.39 +/- 1.87   2.166% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   73  14.23 +/- 3.68   1.080% *  0.0379% (0.25   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG    LEU   40  18.53 +/- 3.11   0.544% *  0.0658% (0.44   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  18.08 +/- 2.64   0.539% *  0.0658% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   40  19.46 +/- 2.46   0.356% *  0.0719% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  21.45 +/- 6.96   1.163% *  0.0201% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  21.46 +/- 3.66   0.316% *  0.0631% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  16.26 +/- 3.10   0.789% *  0.0250% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  20.82 +/- 1.87   0.300% *  0.0445% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  15.99 +/- 1.40   0.543% *  0.0235% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  19.80 +/- 3.16   0.527% *  0.0215% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.205, support = 4.97, residual support = 134.7:
          HN    LEU   73 - HG    LEU   73   2.79 +/- 0.63  34.664% * 42.7377% (0.20   5.69 173.81) =  69.295%  kept
          HN    VAL   42 - HG    LEU   40   4.53 +/- 0.94  10.125% * 33.7731% (0.37   2.37   1.90) =  15.995%  kept
          HN    ILE   19 - HG12  ILE   19   2.92 +/- 0.93  34.526% *  6.9077% (0.03   5.31 124.11) =  11.156%  kept
          HN    VAL   42 - HG    LEU   73   7.16 +/- 1.85   5.388% *  9.2890% (0.20   1.24   0.64) =   2.341%  kept
          HN    ILE   19 - HG    LEU   73   9.93 +/- 7.39   5.469% *  3.6224% (0.04   2.39   5.02) =   0.927%  kept
          HN    LEU   73 - HG12  ILE   19   9.99 +/- 6.60   3.450% *  1.3351% (0.17   0.21   5.02) =   0.215%  kept
          HN    LEU   73 - HG    LEU   40   8.45 +/- 1.65   1.678% *  0.2849% (0.37   0.02   0.02) =   0.022%
          HN    VAL   42 - HG    LEU   80  14.35 +/- 3.77   0.699% *  0.3786% (0.49   0.02   0.02) =   0.012%
          HN    LEU   73 - HG    LEU   80  12.82 +/- 3.69   0.692% *  0.3786% (0.49   0.02   0.02) =   0.012%
          HN    LYS+ 106 - HG    LEU   40  12.49 +/- 1.38   0.558% *  0.3113% (0.41   0.02   0.02) =   0.008%
          HN    VAL   42 - HG12  ILE   19  12.26 +/- 5.44   1.236% *  0.1288% (0.17   0.02   0.02) =   0.007%
          HN    LYS+ 106 - HG    LEU   73  15.91 +/- 3.32   0.302% *  0.1642% (0.21   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG    LEU   80  20.68 +/- 3.29   0.114% *  0.4138% (0.54   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   80  18.19 +/-10.19   0.482% *  0.0764% (0.10   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   40  13.20 +/- 3.87   0.476% *  0.0575% (0.08   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.15 +/- 2.64   0.139% *  0.1408% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 6.02, residual support = 173.5:
      O T HA    LYS+  99 - HB3   LYS+  99   2.46 +/- 0.24  82.426% * 92.8947% (0.76  10.0 10.00   6.06 174.90) =  99.140%  kept
          HA    LEU   40 - HB3   LYS+  99   5.07 +/- 1.07  12.916% *  5.0872% (0.65   1.0  1.00   1.29  10.79) =   0.851%  kept
        T HA    ILE   56 - HB3   LYS+  99  21.25 +/- 3.36   0.213% *  1.1221% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HB3   LYS+  99  10.39 +/- 2.13   1.812% *  0.1090% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HB3   LYS+  99  18.66 +/- 6.95   0.788% *  0.1191% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP- 113 - HB3   LYS+  99  22.07 +/- 2.45   0.155% *  0.4997% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  17.38 +/- 4.52   1.051% *  0.0545% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LYS+  99  20.52 +/- 4.65   0.356% *  0.0545% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  18.94 +/- 3.62   0.284% *  0.0592% (0.49   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 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 174.8:
      O   HN    LYS+  99 - HB3   LYS+  99   3.45 +/- 0.33  85.139% * 99.4797% (0.31  10.0   3.89 174.90) =  99.972%  kept
          HN    ASN   35 - HB3   LYS+  99  10.95 +/- 2.52   6.233% *  0.2692% (0.84   1.0   0.02   0.02) =   0.020%
          HE1   HIS  122 - HB3   LYS+  99  13.31 +/- 6.99   6.819% *  0.0804% (0.25   1.0   0.02   0.02) =   0.006%
          HN    ALA   12 - HB3   LYS+  99  22.94 +/- 5.21   0.673% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   LYS+  99  19.37 +/- 4.57   1.137% *  0.0497% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 4.07 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 = 1.62, residual support = 17.4:
        T QD1   LEU  104 - HB3   LYS+  99   2.83 +/- 1.07  93.912% * 97.1832% (0.41 10.00   1.62  17.37) =  99.958%  kept
        T QG2   ILE   89 - HB3   LYS+  99  16.46 +/- 1.78   1.271% *  2.4405% (0.84 10.00   0.02   0.02) =   0.034%
          QG1   VAL   83 - HB3   LYS+  99  14.85 +/- 3.98   2.132% *  0.2534% (0.87  1.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB3   LYS+  99  16.83 +/- 3.86   1.268% *  0.0650% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LYS+  99  15.39 +/- 2.32   1.418% *  0.0578% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.92, residual support = 10.8:
        T QD2   LEU   40 - HB3   LYS+  99   3.37 +/- 0.83  77.079% * 98.0054% (0.76 10.00   1.92  10.79) =  99.751%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.47 +/- 0.69  10.643% *  1.6735% (0.61  1.00   0.41   0.02) =   0.235%  kept
          QD1   LEU   67 - HB3   LYS+  99  10.32 +/- 2.93   7.684% *  0.0968% (0.73  1.00   0.02   0.02) =   0.010%
          HB    VAL   75 - HB3   LYS+  99  15.18 +/- 1.63   1.181% *  0.1261% (0.95  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HB3   LYS+  99  18.32 +/- 3.12   1.740% *  0.0649% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   LYS+  99  14.15 +/- 3.44   1.673% *  0.0332% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.67, residual support = 174.9:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.81 +/- 0.20  89.775% * 99.4593% (0.97  10.0   5.67 174.90) =  99.993%  kept
          HB2   LEU   31 - HB3   LYS+  99  11.93 +/- 3.23   3.421% *  0.0708% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HB3   LYS+  99  10.86 +/- 1.71   2.354% *  0.1028% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   LEU   63 - HB3   LYS+  99  14.01 +/- 1.98   0.961% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  18.40 +/- 1.42   0.349% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  17.44 +/- 6.44   1.378% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  16.38 +/- 1.69   0.518% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  14.79 +/- 1.45   0.732% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.63 +/- 4.23   0.336% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  23.61 +/- 2.72   0.176% *  0.0788% (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 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 174.9:
      O T HB2   LYS+  99 - HA    LYS+  99   2.90 +/- 0.21  95.316% * 99.7492% (0.99  10.0 10.00   7.00 174.90) =  99.996%  kept
          HB    VAL   43 - HA    LYS+  99  10.73 +/- 1.43   2.622% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - HA    LYS+  99  17.90 +/- 5.07   1.796% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HA    LYS+  99  22.63 +/- 2.83   0.267% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.688, support = 5.24, residual support = 182.7:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.72 +/- 0.30  27.053% * 58.3907% (0.99  10.0  1.00   5.24 174.90) =  53.393%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.30 +/- 0.14  40.970% * 20.0954% (0.34  10.0 10.00   5.27 174.90) =  27.828%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.67 +/- 0.28  27.830% * 19.9563% (0.34  10.0 10.00   5.19 216.48) =  18.772%  kept
        T QD    LYS+ 106 - HG12  ILE   89  10.34 +/- 2.98   0.759% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+  99  18.56 +/- 2.82   0.100% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG3   LYS+  99  12.72 +/- 0.74   0.248% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T HB    ILE   89 - HG3   LYS+  99  21.72 +/- 2.59   0.057% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG3   LYS+  38   9.02 +/- 2.15   1.216% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG12  ILE   89  19.20 +/- 2.36   0.081% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  11.24 +/- 2.38   0.668% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.91 +/- 1.99   0.177% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.20 +/- 2.62   0.045% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  19.40 +/- 2.59   0.080% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  14.45 +/- 3.46   0.397% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.26 +/- 2.46   0.087% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  17.16 +/- 2.16   0.118% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  26.28 +/- 2.73   0.031% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  18.59 +/- 1.91   0.085% *  0.0011% (0.02   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 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.42, residual support = 174.8:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.60 +/- 0.28  90.539% * 97.9462% (0.99  10.0 10.00   6.43 174.90) =  99.972%  kept
        T HB    VAL   43 - HG12  ILE   89   9.48 +/- 2.58   3.458% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.015%
        T HB    VAL   43 - HG3   LYS+  99  13.58 +/- 1.58   0.838% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LYS+  99 - HG3   LYS+  38  11.45 +/- 2.40   1.975% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  99 - HG12  ILE   89  19.41 +/- 2.63   0.275% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89  11.06 +/- 1.29   1.407% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  99  19.09 +/- 4.71   0.415% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.17 +/- 3.03   0.139% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  24.97 +/- 5.82   0.168% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  18.42 +/- 1.10   0.275% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  18.68 +/- 4.12   0.424% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  27.82 +/- 2.53   0.086% *  0.0101% (0.10   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 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 119.0:
    * O   HA    GLN  116 - HG3   GLN  116   3.11 +/- 0.60  96.098% * 99.5202% (1.00  10.0   5.46 119.05) =  99.998%  kept
          HA    VAL   70 - HG3   GLN  116  18.70 +/- 4.66   0.823% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  20.11 +/- 3.83   0.950% *  0.0684% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HG3   GLN  116  28.14 +/- 5.32   0.281% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  28.70 +/- 4.29   0.197% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  19.31 +/- 3.29   0.651% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  23.33 +/- 4.34   0.600% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  26.61 +/- 4.14   0.236% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  28.60 +/- 3.25   0.163% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 119.0:
      O   HB2   GLN  116 - HG3   GLN  116   2.65 +/- 0.36  89.734% * 99.6757% (0.98  10.0   5.92 119.05) =  99.994%  kept
          HB2   PRO   58 - HG3   GLN  116   8.70 +/- 2.63   9.156% *  0.0456% (0.45   1.0   0.02   0.02) =   0.005%
          HB3   PHE   97 - HG3   GLN  116  15.58 +/- 2.85   0.634% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG3   GLN  116  25.78 +/- 3.89   0.144% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  23.37 +/- 3.43   0.202% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  26.75 +/- 4.07   0.131% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 6.72, residual support = 97.9:
          QD2   LEU  115 - HG3   GLN  116   4.69 +/- 1.30  54.786% * 96.0754% (0.97   6.79  98.90) =  98.938%  kept
          QD1   LEU   63 - HG3   GLN  116   9.97 +/- 3.01  18.442% *  2.9248% (0.69   0.29   0.02) =   1.014%  kept
          QD1   LEU   73 - HG3   GLN  116  16.89 +/- 4.54   4.373% *  0.2015% (0.69   0.02   0.02) =   0.017%
          QD2   LEU   63 - HG3   GLN  116  10.77 +/- 3.28  19.379% *  0.0453% (0.15   0.02   0.02) =   0.016%
          QD1   LEU  104 - HG3   GLN  116  15.31 +/- 2.98   1.735% *  0.2876% (0.98   0.02   0.02) =   0.009%
          QD2   LEU   80 - HG3   GLN  116  21.28 +/- 2.87   0.653% *  0.2876% (0.98   0.02   0.02) =   0.004%
          QG1   VAL   83 - HG3   GLN  116  20.38 +/- 2.14   0.633% *  0.1779% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 2 structures by 0.51 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.41, residual support = 119.0:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.497% * 99.7025% (0.98  10.0  1.00   6.41 119.05) =  99.999%  kept
          HB3   PHE   95 - HG3   GLN  116  11.67 +/- 2.23   0.456% *  0.0962% (0.95   1.0  1.00   0.02   0.75) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  29.62 +/- 6.70   0.047% *  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 = 4.13, residual support = 118.8:
      O   HE21  GLN  116 - HG3   GLN  116   3.35 +/- 0.50  69.568% * 99.1424% (0.69  10.0   4.14 119.05) =  99.798%  kept
          HN    ALA  120 - HG3   GLN  116   5.94 +/- 1.39  22.272% *  0.5857% (0.31   1.0   0.26   0.18) =   0.189%  kept
          HN    ALA   57 - HG3   GLN  116   9.53 +/- 2.76   7.820% *  0.1103% (0.76   1.0   0.02   0.02) =   0.012%
          HE21  GLN   90 - HG3   GLN  116  26.47 +/- 2.98   0.203% *  0.1393% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  29.94 +/- 4.41   0.136% *  0.0223% (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 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.701, support = 7.15, residual support = 111.1:
          HN    GLN  116 - HG3   GLN  116   4.07 +/- 0.44  58.184% * 79.7411% (0.69   7.61 119.05) =  93.316%  kept
          HN    THR  118 - HG3   GLN  116   6.39 +/- 0.68  18.833% * 14.0907% (0.92   1.00   0.13) =   5.337%  kept
          HN    PHE   60 - HG3   GLN  116   9.35 +/- 2.49  10.874% *  4.4003% (1.00   0.29   0.02) =   0.962%  kept
          HN    GLU- 114 - HG3   GLN  116   7.42 +/- 1.09  11.758% *  1.6192% (0.25   0.43   1.78) =   0.383%  kept
          HN    GLU-  15 - HG3   GLN  116  25.40 +/- 4.30   0.351% *  0.1486% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.913, support = 6.57, residual support = 178.5:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  43.101% * 83.1052% (1.00  10.0 10.00   6.58 174.90) =  90.502%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  43.101% *  8.3878% (0.10  10.0 10.00   6.53 220.97) =   9.134%  kept
          QB    ALA   88 - HG12  ILE   89   4.94 +/- 0.73   2.352% *  5.9059% (0.28   1.0  1.00   5.09   9.09) =   0.351%  kept
        T HG2   LYS+  38 - HG3   LYS+  99  10.17 +/- 2.08   0.369% *  0.8038% (0.97   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  99 - HG3   LYS+  38   9.83 +/- 2.45   0.580% *  0.0867% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HG12  ILE   89   5.86 +/- 1.83   3.408% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  99  12.52 +/- 3.84   0.414% *  0.0722% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG12  ILE   89   5.06 +/- 1.22   3.403% *  0.0059% (0.07   1.0  1.00   0.02  12.51) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  16.86 +/- 2.47   0.063% *  0.3118% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.51 +/- 1.42   0.771% *  0.0208% (0.25   1.0  1.00   0.02  18.51) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  25.57 +/- 2.63   0.016% *  0.7689% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.90 +/- 2.33   0.438% *  0.0245% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.93 +/- 7.01   0.187% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.69 +/- 1.89   0.280% *  0.0164% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.80 +/- 2.24   0.076% *  0.0505% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.82 +/- 1.47   0.052% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.74 +/- 1.59   0.032% *  0.0572% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.11 +/- 4.51   0.030% *  0.0605% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  11.81 +/- 2.12   0.235% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  19.33 +/- 4.20   0.046% *  0.0293% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.28 +/- 1.09   0.244% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  17.93 +/- 1.92   0.046% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  14.45 +/- 3.40   0.129% *  0.0084% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  17.76 +/- 2.46   0.048% *  0.0205% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  21.10 +/- 2.73   0.028% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  25.33 +/- 2.68   0.016% *  0.0326% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  20.02 +/- 2.31   0.033% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  14.17 +/- 2.93   0.175% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.34 +/- 1.84   0.028% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  22.11 +/- 7.73   0.107% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.37 +/- 2.77   0.041% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  25.04 +/- 2.32   0.016% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  23.85 +/- 2.71   0.020% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.83 +/- 3.80   0.019% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.00 +/- 1.34   0.026% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.78 +/- 3.68   0.009% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.34 +/- 1.80   0.026% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  23.23 +/- 1.99   0.020% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.55 +/- 1.84   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         :     14
      with one assignment possibility        :    111
      with multiple assignment possibilities :   2110
      with given assignment possibilities    :      0
      with unique volume contribution        :   1229
      with multiple volume contributions     :    992
      eliminated by violation filter         :     90
 
    Peaks:
      selected                               :   2700
      without assignment                     :    125
      with assignment                        :   2575
      with unique assignment                 :   1528
      with multiple assignment               :   1047
      with reference assignment              :   1605
      with identical reference assignment    :   1016
      with compatible reference assignment   :    581
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    970
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.9
    QD1   LEU   40       2.7
    QD2   LEU   40       3.9
    QD    PHE   45       3.9
    QG2   ILE   56       2.9
    QD    PHE   60       2.7
    HN    LYS+  65       5.1
    HZ    PHE   72       3.5
    HD2   PRO   93       3.0
    HA    THR  118       3.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 72.6:
        T HA    PHE   60 - QD    PHE   60   3.12 +/- 0.40  81.442% * 98.3426% (0.87 10.00   3.96  72.70) =  99.927%  kept
        T QB    SER   48 - QD    PHE   60  11.15 +/- 3.57   6.422% *  0.4255% (0.38 10.00   0.02   0.02) =   0.034%
        T QB    SER  117 - QD    PHE   60  11.31 +/- 1.96   2.539% *  1.0168% (0.90 10.00   0.02   0.02) =   0.032%
          HB    THR   94 - QD    PHE   60  10.17 +/- 2.63   4.573% *  0.0552% (0.49  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QD    PHE   60  11.40 +/- 2.02   2.920% *  0.0733% (0.65  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 121 - QD    PHE   60  14.71 +/- 1.03   0.909% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  13.43 +/- 0.96   1.196% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 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  93.742% * 81.1439% (0.69  10.0   1.01  74.42) =  99.030%  kept
          HN    TRP   87 - HZ3   TRP   87   7.16 +/- 0.33   4.036% * 18.3867% (0.61   1.0   2.60  74.42) =   0.966%  kept
          HN    GLN   17 - HZ3   TRP   87  23.24 +/- 7.01   0.637% *  0.1781% (0.76   1.0   0.02   0.02) =   0.001%
          HD21  ASN   69 - HZ3   TRP   87  19.26 +/- 4.31   0.415% *  0.1319% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HZ3   TRP   87  13.18 +/- 1.38   0.725% *  0.0719% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HZ3   TRP   87  18.19 +/- 3.71   0.445% *  0.0875% (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 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  19.12 +/- 4.00 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.38 A violated in 20 structures by 13.74 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.18, residual support = 6.1:
          QB    ALA   20 - HE1   HIS   22   3.52 +/- 0.29  94.842% * 93.7780% (0.76   1.18   6.10) =  99.927%  kept
          QG2   VAL  107 - HE1   HIS   22  17.24 +/- 3.78   1.680% *  1.9637% (0.95   0.02   0.02) =   0.037%
          HG2   LYS+ 121 - HE1   HIS   22  25.15 +/- 6.01   0.631% *  2.0713% (1.00   0.02   0.02) =   0.015%
          HG13  ILE  103 - HE1   HIS   22  21.73 +/- 3.94   0.692% *  1.0922% (0.53   0.02   0.02) =   0.008%
          HB3   LEU   31 - HE1   HIS   22  17.27 +/- 2.04   1.136% *  0.5176% (0.25   0.02   0.02) =   0.007%
          HG13  ILE  119 - HE1   HIS   22  20.63 +/- 5.55   1.018% *  0.5772% (0.28   0.02   0.02) =   0.007%
    Distance limit 4.47 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 = 0.411, support = 4.69, residual support = 39.7:
          HN    ASN   28 - HD1   TRP   27   2.84 +/- 0.55  84.066% * 36.7559% (0.25   5.36  50.65) =  78.172%  kept
          HN    GLU-  25 - HD1   TRP   27   5.31 +/- 0.83  13.761% * 62.6203% (0.99   2.30   0.49) =  21.801%  kept
          HN    ASP-  44 - HD1   TRP   27  12.53 +/- 2.77   1.942% *  0.5389% (0.98   0.02   0.02) =   0.026%
          HN    ALA  110 - HD1   TRP   27  22.98 +/- 2.96   0.231% *  0.0848% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.35, residual support = 107.2:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.35 107.20) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (6.35, 7.32, 120.14 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 1.56, residual support = 107.2:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  98.867% * 99.9800% (0.89  10.0   1.56 107.20) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  12.30 +/- 2.10   1.133% *  0.0200% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 4.19, residual support = 107.2:
          HA    TRP   27 - HE3   TRP   27   3.07 +/- 0.60  92.966% * 98.5493% (0.96   4.19 107.20) =  99.986%  kept
          HA    ALA   91 - HE3   TRP   27  18.87 +/- 4.15   1.108% *  0.4834% (0.98   0.02   0.02) =   0.006%
          HA    VAL  107 - HE3   TRP   27  17.51 +/- 1.94   0.851% *  0.4502% (0.91   0.02   0.02) =   0.004%
          HA    TRP   27 - HN    LEU   67  14.85 +/- 2.58   1.472% *  0.0732% (0.15   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  16.87 +/- 2.52   1.052% *  0.0701% (0.14   0.02   0.02) =   0.001%
          HA    PRO   52 - HE3   TRP   27  22.51 +/- 3.38   0.378% *  0.1831% (0.37   0.02   0.02) =   0.001%
          HA    ALA  110 - HE3   TRP   27  21.28 +/- 3.13   0.496% *  0.0753% (0.15   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  21.16 +/- 3.00   0.470% *  0.0752% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  19.19 +/- 2.89   0.648% *  0.0285% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  20.25 +/- 3.03   0.560% *  0.0117% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.173, support = 4.49, residual support = 107.1:
      O   HB3   TRP   27 - HE3   TRP   27   2.63 +/- 0.21  85.101% * 98.0783% (0.17  10.0   4.50 107.20) =  99.945%  kept
          QE    LYS+  99 - HE3   TRP   27  11.83 +/- 3.75   6.898% *  0.4678% (0.83   1.0   0.02   0.02) =   0.039%
          QE    LYS+  38 - HE3   TRP   27  13.62 +/- 2.50   1.139% *  0.5551% (0.98   1.0   0.02   0.02) =   0.008%
          QE    LYS+ 102 - HE3   TRP   27  15.96 +/- 3.29   0.588% *  0.5405% (0.96   1.0   0.02   0.02) =   0.004%
          HB2   PHE   97 - HE3   TRP   27  12.92 +/- 3.26   1.745% *  0.0864% (0.15   1.0   0.02   0.02) =   0.002%
          QE    LYS+  99 - HN    LEU   67  12.22 +/- 2.20   1.640% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  14.97 +/- 2.98   0.759% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  19.82 +/- 2.21   0.253% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  13.45 +/- 2.46   1.156% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  14.65 +/- 2.94   0.721% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 0.639, support = 2.22, residual support = 9.92:
          QG1   VAL   43 - HE3   TRP   27   7.33 +/- 3.30  10.428% * 49.3158% (0.99   2.25   4.21) =  39.689%  kept
          QD2   LEU   73 - HE3   TRP   27   5.56 +/- 3.43  22.052% * 19.3381% (0.28   3.17  13.44) =  32.910%  kept
          HG    LEU   31 - HE3   TRP   27   4.52 +/- 0.68  16.613% * 12.3702% (0.41   1.37  23.75) =  15.860%  kept
          QG1   VAL   41 - HE3   TRP   27   7.23 +/- 2.04   7.632% * 14.3007% (0.94   0.69   0.11) =   8.423%  kept
          QD2   LEU  104 - HE3   TRP   27  11.90 +/- 4.41  10.575% *  3.3331% (0.34   0.45   1.83) =   2.720%  kept
          QG2   VAL   18 - HE3   TRP   27   9.30 +/- 2.50   4.813% *  0.4052% (0.91   0.02   0.02) =   0.150%  kept
          QD1   ILE   19 - HE3   TRP   27   7.28 +/- 2.43   8.765% *  0.2136% (0.48   0.02   0.02) =   0.145%  kept
          QG2   THR   46 - HE3   TRP   27  11.57 +/- 2.78   1.335% *  0.3666% (0.83   0.02   0.02) =   0.038%
          QG2   VAL   18 - HN    LEU   67  10.25 +/- 4.62   5.999% *  0.0630% (0.14   0.02   0.02) =   0.029%
          QG1   VAL   43 - HN    LEU   67  10.72 +/- 1.35   1.634% *  0.0683% (0.15   0.02   0.02) =   0.009%
          QG2   THR   46 - HN    LEU   67  11.16 +/- 3.01   1.954% *  0.0570% (0.13   0.02   0.02) =   0.009%
          QD1   ILE   19 - HN    LEU   67  11.90 +/- 3.64   2.412% *  0.0332% (0.08   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LEU   67  11.07 +/- 1.46   1.058% *  0.0646% (0.15   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    LEU   67   8.78 +/- 1.51   3.171% *  0.0190% (0.04   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    LEU   67  15.03 +/- 3.11   0.858% *  0.0281% (0.06   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    LEU   67  13.31 +/- 2.21   0.702% *  0.0233% (0.05   0.02   0.02) =   0.001%
    Distance limit 5.38 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 = 0.559, support = 3.91, residual support = 8.83:
          QD1   LEU   73 - HE3   TRP   27   5.28 +/- 4.50  35.094% * 30.2140% (0.37   5.54  13.44) =  51.026%  kept
          QD2   LEU   80 - HE3   TRP   27   9.87 +/- 7.32  14.606% * 30.6837% (0.76   2.76   7.25) =  21.566%  kept
          QD1   LEU  104 - HE3   TRP   27  10.95 +/- 4.31  14.562% * 24.4129% (0.94   1.78   1.83) =  17.107%  kept
          QD1   LEU   63 - HE3   TRP   27   9.86 +/- 3.66  17.310% * 10.6459% (0.37   1.95   1.02) =   8.868%  kept
          QG1   VAL   83 - HE3   TRP   27   9.83 +/- 6.44   8.259% *  3.5547% (0.89   0.27   0.44) =   1.413%  kept
          QD2   LEU  115 - HE3   TRP   27  15.19 +/- 3.05   0.751% *  0.2109% (0.72   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   67   6.27 +/- 0.79   4.937% *  0.0170% (0.06   0.02   0.02) =   0.004%
          QG2   ILE   89 - HE3   TRP   27  12.74 +/- 3.27   0.692% *  0.0808% (0.28   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU   67  11.72 +/- 2.31   0.684% *  0.0428% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  10.29 +/- 1.66   1.473% *  0.0170% (0.06   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   67  12.16 +/- 1.43   0.613% *  0.0328% (0.11   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   67  15.31 +/- 2.37   0.420% *  0.0345% (0.12   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    LEU   67  15.29 +/- 2.47   0.335% *  0.0405% (0.14   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    LEU   67  15.27 +/- 2.61   0.266% *  0.0126% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 0.657, support = 0.681, residual support = 0.89:
          QG2   VAL   75 - HE3   TRP   27   6.99 +/- 4.59  38.383% * 51.1122% (0.72   0.63   1.16) =  61.301%  kept
          QG2   VAL   42 - HE3   TRP   27   7.88 +/- 2.31  25.406% * 48.4389% (0.56   0.77   0.47) =  38.453%  kept
          QG2   VAL   42 - HN    LEU   67   7.73 +/- 1.79  22.534% *  0.1967% (0.09   0.02   0.02) =   0.138%  kept
          QG2   VAL   75 - HN    LEU   67  10.05 +/- 1.37  13.677% *  0.2523% (0.11   0.02   0.02) =   0.108%  kept
    Distance limit 4.60 A violated in 2 structures by 0.60 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.74, residual support = 35.4:
      O T HB2   HIS   22 - HD2   HIS   22   3.73 +/- 0.40  98.068% * 99.9216% (0.92  10.0 10.00   2.74  35.39) =  99.999%  kept
          HA    LEU   63 - HD2   HIS   22  17.32 +/- 3.52   1.316% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HD2   HIS   22  22.01 +/- 4.53   0.616% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.34, residual support = 35.4:
      O T HB3   HIS   22 - HD2   HIS   22   3.22 +/- 0.47  98.466% * 99.8217% (0.45  10.0 10.00   3.34  35.39) =  99.997%  kept
          HD3   ARG+  54 - HD2   HIS   22  22.07 +/- 7.00   1.534% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  12.16 +/- 6.10  34.588% * 29.7119% (0.92   0.02   0.02) =  49.734%  kept
          QB    CYS   50 - HD2   HIS   22  18.00 +/- 5.66  16.226% * 28.8658% (0.90   0.02   0.02) =  22.667%  kept
          HB3   ASP-  78 - HD2   HIS   22  17.94 +/- 7.46  12.066% * 19.5221% (0.61   0.02   0.02) =  11.400%  kept
          HB3   ASN   69 - HD2   HIS   22  19.69 +/- 3.10  12.566% * 16.9340% (0.53   0.02   0.02) =  10.298%  kept
          HB2   PHE   72 - HD2   HIS   22  13.57 +/- 4.14  24.553% *  4.9662% (0.15   0.02   0.02) =   5.901%  kept
    Distance limit 5.42 A violated in 16 structures by 4.77 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.24, residual support = 6.1:
        T QB    ALA   20 - HD2   HIS   22   3.52 +/- 0.66  95.761% * 98.9678% (0.28 10.00   2.24   6.10) =  99.991%  kept
          QG2   VAL  107 - HD2   HIS   22  17.35 +/- 3.02   1.137% *  0.3088% (0.87  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - HD2   HIS   22  20.87 +/- 2.93   0.572% *  0.3435% (0.97  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HD2   HIS   22  24.50 +/- 6.45   0.696% *  0.2303% (0.65  1.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HD2   HIS   22  17.00 +/- 2.00   1.263% *  0.0704% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  23.03 +/- 4.96   0.571% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  18.96 +/- 4.54 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.37 A violated in 20 structures by 13.60 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 = 8.84:
          HA    CYS   21 - HD2   HIS   22   3.78 +/- 0.16  93.585% * 97.4270% (0.95   3.23   8.84) =  99.969%  kept
          HA    TRP   49 - HD2   HIS   22  22.24 +/- 7.14   1.574% *  0.6379% (1.00   0.02   0.02) =   0.011%
          HA    CYS   50 - HD2   HIS   22  21.05 +/- 5.99   1.580% *  0.6034% (0.95   0.02   0.02) =   0.010%
          HA    ALA   47 - HD2   HIS   22  19.34 +/- 6.32   1.668% *  0.1773% (0.28   0.02   0.02) =   0.003%
          HA    LYS+ 102 - HD2   HIS   22  23.02 +/- 4.02   0.682% *  0.4126% (0.65   0.02   0.02) =   0.003%
          HA1   GLY  109 - HD2   HIS   22  25.68 +/- 3.29   0.379% *  0.6156% (0.97   0.02   0.02) =   0.003%
          HA    VAL  108 - HD2   HIS   22  22.86 +/- 2.86   0.531% *  0.1262% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.12 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 = 0.968, support = 3.2, residual support = 49.5:
          HA    ASN   28 - HD1   TRP   27   3.80 +/- 0.33  74.288% * 79.1732% (1.00   3.22  50.65) =  95.841%  kept
          HA    THR   26 - HD1   TRP   27   6.82 +/- 0.67  13.681% * 18.4294% (0.28   2.69  22.69) =   4.108%  kept
          HA    ALA   34 - HD1   TRP   27  12.69 +/- 0.48   2.047% *  0.4543% (0.92   0.02   0.02) =   0.015%
          HA1   GLY  101 - HD1   TRP   27  16.14 +/- 3.81   1.801% *  0.3761% (0.76   0.02   0.02) =   0.011%
          HA    LYS+  81 - HD1   TRP   27  15.53 +/- 8.04   4.528% *  0.0974% (0.20   0.02   0.02) =   0.007%
          HA    LEU  115 - HD1   TRP   27  20.75 +/- 4.22   0.793% *  0.4878% (0.99   0.02   0.02) =   0.006%
          HA    ALA  124 - HD1   TRP   27  27.81 +/- 8.72   0.999% *  0.2786% (0.57   0.02   0.02) =   0.005%
          HA    ARG+  54 - HD1   TRP   27  22.87 +/- 3.97   0.538% *  0.3381% (0.69   0.02   0.02) =   0.003%
          HA    GLU- 114 - HD1   TRP   27  24.15 +/- 4.59   0.480% *  0.2985% (0.61   0.02   0.02) =   0.002%
          HA    GLU-  36 - HD1   TRP   27  17.07 +/- 0.76   0.845% *  0.0666% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.98 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 = 5.0, residual support = 26.6:
          HA    VAL   24 - HD1   TRP   27   2.80 +/- 0.71  90.710% * 99.5106% (1.00   5.00  26.60) =  99.985%  kept
          HD2   PRO   68 - HD1   TRP   27  17.06 +/- 4.54   6.519% *  0.1362% (0.34   0.02   0.02) =   0.010%
          HA    LYS+  38 - HD1   TRP   27  15.25 +/- 2.07   1.049% *  0.2742% (0.69   0.02   0.02) =   0.003%
          HA    ALA   61 - HD1   TRP   27  16.55 +/- 3.31   1.723% *  0.0790% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.65, residual support = 107.2:
      O T HB2   TRP   27 - HD1   TRP   27   2.71 +/- 0.11  96.803% * 99.7544% (0.65  10.0 10.00   3.65 107.20) =  99.995%  kept
          HA    THR   77 - HD1   TRP   27  13.97 +/- 5.75   2.655% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HD2   PRO   93 - HD1   TRP   27  20.09 +/- 3.30   0.542% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 107.2:
      O T HB3   TRP   27 - HD1   TRP   27   3.78 +/- 0.11  91.369% * 99.6316% (0.73  10.0 10.00   4.08 107.20) =  99.989%  kept
          HB3   PHE   60 - HD1   TRP   27  17.61 +/- 3.96   3.536% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   97 - HD1   TRP   27  16.22 +/- 3.73   3.594% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 106 - HD1   TRP   27  16.28 +/- 3.18   1.502% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.82 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 = 0.758, support = 3.47, residual support = 26.6:
        T QG2   VAL   24 - HD1   TRP   27   2.33 +/- 0.59  76.567% * 94.0859% (0.76 10.00   3.48  26.60) =  98.702%  kept
          QG1   VAL   24 - HD1   TRP   27   4.26 +/- 0.78  18.873% *  4.9882% (0.31  1.00   2.63  26.60) =   1.290%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.83 +/- 2.05   0.398% *  0.7964% (0.65 10.00   0.02   0.02) =   0.004%
          HG    LEU   63 - HD1   TRP   27  15.68 +/- 5.22   3.853% *  0.0747% (0.61  1.00   0.02   1.02) =   0.004%
          HG3   LYS+ 112 - HD1   TRP   27  23.03 +/- 3.67   0.157% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  23.30 +/- 3.65   0.152% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 2.44, residual support = 5.79:
          QD2   LEU   80 - HD1   TRP   27   9.33 +/- 8.62  29.329% * 32.3557% (0.87   2.91   7.25) =  45.426%  kept
          QD1   LEU  104 - HD1   TRP   27  13.76 +/- 4.77  14.439% * 26.4262% (0.99   2.08   1.83) =  18.265%  kept
          QD1   LEU   73 - HD1   TRP   27   8.10 +/- 4.29  18.325% * 17.2878% (0.49   2.77  13.44) =  15.165%  kept
          QG1   VAL   83 - HD1   TRP   27   9.61 +/- 7.77  19.099% * 16.3013% (0.80   1.59   0.44) =  14.903%  kept
          QD1   LEU   63 - HD1   TRP   27  12.58 +/- 4.83  17.687% *  7.3644% (0.49   1.18   1.02) =   6.235%  kept
          QD2   LEU  115 - HD1   TRP   27  17.54 +/- 3.67   0.387% *  0.2139% (0.84   0.02   0.02) =   0.004%
          QG2   ILE   89 - HD1   TRP   27  13.42 +/- 4.10   0.734% *  0.0507% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.41 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 = 0.757, support = 1.85, residual support = 21.1:
          QD2   LEU   31 - HD1   TRP   27   4.07 +/- 0.73  67.954% * 74.8205% (0.73   2.03  23.75) =  88.481%  kept
          QG2   VAL   83 - HD1   TRP   27  10.70 +/- 6.41  27.087% * 24.2709% (1.00   0.48   0.44) =  11.441%  kept
          QD1   ILE   89 - HD1   TRP   27  13.26 +/- 3.99   4.959% *  0.9086% (0.90   0.02   0.02) =   0.078%
    Distance limit 4.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.29, residual support = 107.2:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  96.865% * 99.7536% (0.28  10.0 10.00   1.29 107.20) =  99.992%  kept
          HZ    PHE   72 - HH2   TRP   27   9.90 +/- 2.14   3.135% *  0.2464% (0.69   1.0  1.00   0.02   0.12) =   0.008%
    Distance limit 5.16 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 = 2.06, residual support = 107.2:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.06 107.20) = 100.000%  kept
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.56, residual support = 107.2:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  95.005% * 99.6531% (1.00  10.0   1.56 107.20) =  99.997%  kept
          HN    THR   23 - HZ3   TRP   27   9.94 +/- 1.21   1.732% *  0.0778% (0.61   1.0   0.02   1.13) =   0.001%
          QE    PHE   95 - HZ3   TRP   27  12.68 +/- 2.31   1.170% *  0.0829% (0.65   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HZ3   TRP   27  18.65 +/- 2.72   0.296% *  0.1257% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  12.30 +/- 2.10   1.088% *  0.0320% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  16.15 +/- 5.64   0.708% *  0.0285% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.46 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 = 0.883, support = 1.32, residual support = 6.41:
        T QG1   VAL   43 - HH2   TRP   27   5.68 +/- 3.61  25.969% * 80.1878% (0.92 10.00   1.20   4.21) =  85.709%  kept
          HG    LEU   31 - HH2   TRP   27   4.71 +/- 1.12  23.918% * 10.4664% (0.65  1.00   2.24  23.75) =  10.303%  kept
          QD2   LEU   73 - HH2   TRP   27   6.59 +/- 2.38   9.849% *  6.4894% (0.49  1.00   1.85  13.44) =   2.631%  kept
          QG1   VAL   41 - HH2   TRP   27   6.22 +/- 1.64  13.177% *  2.1478% (1.00  1.00   0.30   0.11) =   1.165%  kept
          QD2   LEU  104 - HH2   TRP   27  10.34 +/- 3.28   7.219% *  0.4403% (0.18  1.00   0.35   1.83) =   0.131%  kept
          QG2   VAL   18 - HH2   TRP   27  10.88 +/- 3.26   9.873% *  0.1048% (0.73  1.00   0.02   0.02) =   0.043%
          QD1   ILE   19 - HH2   TRP   27   9.61 +/- 2.70   8.114% *  0.0401% (0.28  1.00   0.02   0.02) =   0.013%
          QG2   THR   46 - HH2   TRP   27  11.40 +/- 2.43   1.300% *  0.0875% (0.61  1.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HH2   TRP   27  15.08 +/- 2.37   0.581% *  0.0360% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.872, support = 1.94, residual support = 6.52:
        T QG1   VAL   43 - HZ3   TRP   27   5.95 +/- 3.30  17.215% * 83.8704% (0.92 10.00   1.90   4.21) =  82.471%  kept
          HG    LEU   31 - HZ3   TRP   27   4.51 +/- 1.29  21.848% *  7.6572% (0.65  1.00   2.48  23.75) =   9.556%  kept
          QD2   LEU   73 - HZ3   TRP   27   5.40 +/- 2.95  21.084% *  4.7821% (0.49  1.00   2.06  13.44) =   5.759%  kept
          QG1   VAL   41 - HZ3   TRP   27   5.98 +/- 1.80  11.141% *  3.2222% (1.00  1.00   0.68   0.11) =   2.050%  kept
          QD2   LEU  104 - HZ3   TRP   27  10.55 +/- 3.66   6.372% *  0.2905% (0.18  1.00   0.35   1.83) =   0.106%  kept
          QG2   VAL   18 - HZ3   TRP   27   9.68 +/- 3.29   8.908% *  0.0693% (0.73  1.00   0.02   0.02) =   0.035%
          QD1   ILE   19 - HZ3   TRP   27   8.13 +/- 2.88  11.513% *  0.0265% (0.28  1.00   0.02   0.02) =   0.017%
          QG2   THR   46 - HZ3   TRP   27  11.16 +/- 2.56   1.324% *  0.0579% (0.61  1.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HZ3   TRP   27  14.63 +/- 2.40   0.596% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.96 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 = 0.845, support = 2.6, residual support = 11.3:
        T QD1   LEU   73 - HZ3   TRP   27   5.57 +/- 3.82  27.443% * 62.3998% (0.90 10.00   2.96  13.44) =  82.167%  kept
        T QD1   LEU   63 - HZ3   TRP   27   9.15 +/- 3.07   8.782% * 19.3340% (0.90 10.00   0.62   1.02) =   8.147%  kept
        T QD1   LEU  104 - HZ3   TRP   27   9.60 +/- 3.61  12.316% * 13.6173% (0.31 10.00   1.27   1.83) =   8.047%  kept
          QD2   LEU   80 - HZ3   TRP   27  10.38 +/- 6.24   5.502% *  2.9906% (0.53  1.00   1.63   7.25) =   0.790%  kept
          QD2   LEU   63 - HZ3   TRP   27   9.42 +/- 3.30  11.101% *  1.3558% (0.84  1.00   0.47   1.02) =   0.722%  kept
          QD1   LEU   80 - HZ3   TRP   27  10.66 +/- 6.77   9.447% *  0.2331% (0.15  1.00   0.43   7.25) =   0.106%  kept
          QG2   VAL   41 - HZ3   TRP   27   5.57 +/- 2.53  17.574% *  0.0193% (0.28  1.00   0.02   0.11) =   0.016%
          QD2   LEU   98 - HZ3   TRP   27   6.77 +/- 2.67   7.126% *  0.0107% (0.15  1.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HZ3   TRP   27  14.39 +/- 2.53   0.708% *  0.0394% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.765, support = 3.36, residual support = 23.7:
        T QD2   LEU   31 - HZ3   TRP   27   3.19 +/- 0.74  75.244% * 99.1764% (0.76 10.00   3.37  23.75) =  99.809%  kept
          QG2   VAL   83 - HZ3   TRP   27   9.85 +/- 5.17  19.261% *  0.7111% (1.00  1.00   0.11   0.44) =   0.183%  kept
          QD1   ILE   89 - HZ3   TRP   27  11.61 +/- 3.18   5.496% *  0.1126% (0.87  1.00   0.02   0.02) =   0.008%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.767, support = 3.52, residual support = 23.4:
          QD2   LEU   31 - HH2   TRP   27   3.36 +/- 0.69  69.801% * 95.5553% (0.76   3.57  23.75) =  98.524%  kept
          QG2   VAL   83 - HH2   TRP   27   9.27 +/- 5.37  25.260% *  3.8373% (1.00   0.11   0.44) =   1.432%  kept
          QD1   ILE   89 - HH2   TRP   27  10.98 +/- 3.66   4.939% *  0.6075% (0.87   0.02   0.02) =   0.044%
    Distance limit 4.76 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 = 0.9, support = 2.27, residual support = 10.1:
          QD1   LEU   73 - HH2   TRP   27   6.72 +/- 3.28  19.030% * 50.7636% (1.00   2.87  13.44) =  68.497%  kept
          QD1   LEU  104 - HH2   TRP   27   9.56 +/- 3.39  12.579% * 10.6012% (0.53   1.14   1.83) =   9.455%  kept
          QD2   LEU   80 - HH2   TRP   27  10.49 +/- 5.80   5.878% * 19.8799% (0.76   1.47   7.25) =   8.285%  kept
          QD1   LEU   63 - HH2   TRP   27   9.69 +/- 3.36   8.197% * 13.2533% (1.00   0.75   1.02) =   7.703%  kept
          QD2   LEU   63 - HH2   TRP   27   9.81 +/- 3.71  15.002% *  3.6218% (0.61   0.34   1.02) =   3.853%  kept
          QG2   VAL   41 - HH2   TRP   27   5.74 +/- 2.46  20.837% *  0.8500% (0.14   0.35   0.11) =   1.256%  kept
          QG1   VAL   83 - HH2   TRP   27   9.01 +/- 5.98  17.657% *  0.7464% (0.15   0.27   0.44) =   0.935%  kept
          QD2   LEU  115 - HH2   TRP   27  14.67 +/- 2.49   0.819% *  0.2839% (0.80   0.02   0.02) =   0.016%
    Distance limit 5.42 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 = 107.2:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.29 107.20) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (7.62, 6.75, 114.38 ppm):
    5 chemical-shift based assignments, quality = 0.895, support = 2.1, residual support = 39.4:
          HD21  ASN   28 - HZ2   TRP   27   5.40 +/- 1.10  45.870% * 74.4993% (0.87   2.55  50.65) =  75.076%  kept
          HZ2   TRP   87 - HZ2   TRP   27   9.63 +/- 7.89  45.732% * 24.7523% (0.98   0.75   5.60) =  24.869%  kept
          QE    PHE   60 - HZ2   TRP   27  13.80 +/- 3.02   3.725% *  0.4626% (0.69   0.02   0.02) =   0.038%
          HN    LEU   63 - HZ2   TRP   27  15.02 +/- 3.72   4.115% *  0.1679% (0.25   0.02   1.02) =   0.015%
          HN    ILE   56 - HZ2   TRP   27  20.90 +/- 2.85   0.558% *  0.1179% (0.18   0.02   0.02) =   0.001%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.8, residual support = 107.2:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.80 107.20) = 100.000%  kept
    Distance limit 5.15 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 = 5.6:
          HE1   TRP   87 - HZ2   TRP   27  10.36 +/- 7.75 100.000% *100.0000% (0.92   2.00   5.60) = 100.000%  kept
    Distance limit 5.06 A violated in 10 structures by 5.93 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.628, support = 3.1, residual support = 17.0:
        T QD2   LEU   31 - HZ2   TRP   27   3.28 +/- 0.44  62.281% * 53.5620% (0.49 10.00   4.24  23.75) =  65.571%  kept
        T QG2   VAL   43 - HZ2   TRP   27   6.65 +/- 3.71  37.719% * 46.4380% (0.90 10.00   0.94   4.21) =  34.429%  kept
    Distance limit 4.56 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 = 0.905, support = 2.88, residual support = 11.8:
        T QD1   ILE   89 - QD    PHE   45   3.17 +/- 1.50  62.044% * 86.3658% (0.90 10.00   2.89  12.55) =  91.691%  kept
          QG2   VAL   83 - QD    PHE   45   4.41 +/- 1.44  35.787% * 13.5643% (1.00  1.00   2.82   3.18) =   8.306%  kept
          QD2   LEU   31 - QD    PHE   45  10.57 +/- 2.79   2.169% *  0.0699% (0.73  1.00   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.971, support = 2.89, residual support = 8.54:
          QD1   ILE   89 - QE    PHE   45   3.42 +/- 1.71  50.663% * 55.5223% (0.97   3.18  12.55) =  57.193%  kept
          QG2   VAL   83 - QE    PHE   45   3.60 +/- 1.95  47.561% * 44.2585% (0.98   2.50   3.18) =  42.799%  kept
          QD2   LEU   31 - QE    PHE   45   9.70 +/- 3.18   1.776% *  0.2192% (0.61   0.02   0.02) =   0.008%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.14, residual support = 18.3:
        T QG1   VAL   75 - QD    PHE   45   2.70 +/- 0.73  93.932% * 99.9034% (1.00 10.00   3.14  18.32) =  99.994%  kept
          QD1   LEU  115 - QD    PHE   45   8.55 +/- 1.79   6.068% *  0.0966% (0.97  1.00   0.02   0.02) =   0.006%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 2.14, residual support = 18.3:
        T HB    VAL   75 - QD    PHE   45   4.58 +/- 1.29  52.437% * 98.5340% (0.99 10.00   2.15  18.32) =  99.695%  kept
          HG3   LYS+  74 - QD    PHE   45   9.15 +/- 1.38  11.305% *  1.2456% (0.38  1.00   0.67   0.02) =   0.272%  kept
          QG2   ILE  103 - QD    PHE   45   8.79 +/- 1.36  12.662% *  0.0484% (0.49  1.00   0.02   0.02) =   0.012%
          QD2   LEU   40 - QD    PHE   45  10.35 +/- 0.79   7.395% *  0.0643% (0.65  1.00   0.02   0.02) =   0.009%
          QD1   LEU   67 - QD    PHE   45   9.77 +/- 1.71   6.864% *  0.0603% (0.61  1.00   0.02   0.02) =   0.008%
          QD1   ILE  119 - QD    PHE   45  11.62 +/- 1.83   5.719% *  0.0339% (0.34  1.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - QD    PHE   45  12.71 +/- 1.75   3.618% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.80 A violated in 3 structures by 0.39 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.613, support = 3.27, residual support = 11.0:
        T QG2   THR   77 - QD    PHE   45   3.01 +/- 1.41  58.945% * 71.6529% (0.65 10.00   3.18  10.52) =  89.967%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.72 +/- 0.32  18.242% * 21.9198% (0.20 10.00   4.57  18.28) =   8.517%  kept
          QB    ALA   88 - QD    PHE   45   7.19 +/- 0.99  11.717% *  6.0287% (0.97  1.00   1.13   0.34) =   1.505%  kept
          HB3   LEU   80 - QD    PHE   45   7.83 +/- 2.10   6.847% *  0.0416% (0.38  1.00   0.02   0.02) =   0.006%
          HB2   LEU   31 - QD    PHE   45  14.74 +/- 3.18   0.973% *  0.0583% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD    PHE   45  13.92 +/- 2.08   0.792% *  0.0672% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    PHE   45  11.41 +/- 2.09   1.689% *  0.0308% (0.28  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    PHE   45  16.00 +/- 1.36   0.540% *  0.0961% (0.87  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  19.75 +/- 1.00   0.255% *  0.1048% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 0.941, residual support = 24.8:
          QG2   THR   94 - QD    PHE   45   3.69 +/- 0.56  55.570% * 72.7379% (0.80   0.98  27.09) =  84.187%  kept
          HG12  ILE   89 - QD    PHE   45   4.76 +/- 1.23  34.683% * 21.4580% (0.31   0.75  12.55) =  15.500%  kept
          HB3   LEU   71 - QD    PHE   45  13.50 +/- 2.51   4.203% *  1.8375% (0.99   0.02   0.02) =   0.161%  kept
          HD2   LYS+ 112 - QD    PHE   45  12.82 +/- 3.07   2.112% *  1.8539% (1.00   0.02   0.02) =   0.082%
          HB3   LYS+ 112 - QD    PHE   45  13.54 +/- 1.92   1.337% *  1.4168% (0.76   0.02   0.02) =   0.039%
          HG3   LYS+ 111 - QD    PHE   45  13.35 +/- 2.35   2.095% *  0.6958% (0.38   0.02   0.02) =   0.030%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.51, residual support = 18.3:
        T QG1   VAL   75 - QE    PHE   45   3.17 +/- 0.71  93.011% * 99.9191% (0.90 10.00   2.51  18.32) =  99.994%  kept
          QD1   LEU  115 - QE    PHE   45   9.78 +/- 1.81   6.989% *  0.0809% (0.73  1.00   0.02   0.02) =   0.006%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.598, support = 0.726, residual support = 12.1:
          HB    ILE   89 - QE    PHE   45   4.82 +/- 1.75  31.966% * 94.4406% (0.61   0.75  12.55) =  96.717%  kept
          HB    VAL   43 - QE    PHE   45   3.41 +/- 1.84  60.752% *  1.5584% (0.38   0.02   0.02) =   3.033%  kept
          QD    LYS+  81 - QE    PHE   45  10.48 +/- 1.54   3.341% *  1.2816% (0.31   0.02   0.02) =   0.137%  kept
          HB2   LYS+  99 - QE    PHE   45  13.55 +/- 1.71   1.199% *  1.1545% (0.28   0.02   0.02) =   0.044%
          HB3   LYS+  99 - QE    PHE   45  13.44 +/- 1.68   1.305% *  0.9244% (0.22   0.02   0.02) =   0.039%
          QG1   ILE   56 - QE    PHE   45  11.70 +/- 1.44   1.437% *  0.6407% (0.15   0.02   0.02) =   0.029%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.45, support = 1.98, residual support = 7.98:
          HB3   MET   96 - QE    PHE   45   4.57 +/- 1.83  72.764% * 93.5923% (0.45   1.99   8.02) =  99.462%  kept
          HB2   LEU   40 - QE    PHE   45  13.29 +/- 1.33   7.350% *  1.7523% (0.84   0.02   0.02) =   0.188%  kept
          HB    VAL   18 - QE    PHE   45  16.34 +/- 6.33   5.545% *  1.4411% (0.69   0.02   0.02) =   0.117%  kept
          HB2   LEU   67 - QE    PHE   45  13.06 +/- 1.79   9.116% *  0.8625% (0.41   0.02   0.02) =   0.115%  kept
          HB3   ARG+  54 - QE    PHE   45  16.85 +/- 1.98   3.901% *  1.9366% (0.92   0.02   0.02) =   0.110%  kept
          HB3   GLU-  14 - QE    PHE   45  21.16 +/- 4.67   1.324% *  0.4152% (0.20   0.02   0.02) =   0.008%
    Distance limit 5.16 A violated in 3 structures by 0.46 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.26, support = 1.87, residual support = 7.43:
        T HB2   MET   96 - QE    PHE   45   4.59 +/- 1.40  43.467% * 79.4583% (0.22 10.00   1.94   8.02) =  91.661%  kept
          HB3   ASP-  76 - QE    PHE   45   8.20 +/- 1.93  16.743% * 16.6990% (0.73  1.00   1.25   1.04) =   7.420%  kept
          QG    GLN   90 - QE    PHE   45   8.05 +/- 1.24  13.982% *  1.6882% (0.22  1.00   0.41   0.02) =   0.626%  kept
        T HB3   PHE   72 - QE    PHE   45   9.99 +/- 1.69   8.965% *  0.6456% (0.18 10.00   0.02   0.02) =   0.154%  kept
          HG3   MET   92 - QE    PHE   45   9.36 +/- 2.19   9.197% *  0.3557% (0.97  1.00   0.02   0.02) =   0.087%
          HB2   ASP- 105 - QE    PHE   45  11.48 +/- 1.51   2.744% *  0.3403% (0.92  1.00   0.02   0.02) =   0.025%
          HB2   GLU-  29 - QE    PHE   45  17.06 +/- 3.63   1.136% *  0.3306% (0.90  1.00   0.02   0.02) =   0.010%
          HG12  ILE  119 - QE    PHE   45  14.40 +/- 2.08   1.830% *  0.1939% (0.53  1.00   0.02   0.02) =   0.009%
          HG2   GLU- 100 - QE    PHE   45  16.11 +/- 1.76   0.994% *  0.2385% (0.65  1.00   0.02   0.02) =   0.006%
          QG    GLU-  14 - QE    PHE   45  18.90 +/- 4.00   0.941% *  0.0499% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 5.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 79.8:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  95.596% * 99.8696% (0.53  10.0 10.00   1.00  79.82) =  99.994%  kept
          HZ3   TRP   27 - QE    PHE   45   8.97 +/- 3.56   4.404% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.006%
    Distance limit 4.11 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 = 79.8:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  97.466% * 99.6976% (0.65  10.0   3.61  79.82) =  99.999%  kept
          HE22  GLN   17 - QE    PHE   45  19.64 +/- 6.29   1.966% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - QE    PHE   45  15.48 +/- 2.59   0.390% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - QE    PHE   45  18.74 +/- 1.66   0.178% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 7.99:
          HB3   MET   96 - QD    PHE   45   5.26 +/- 1.53  65.683% * 96.5032% (0.80   2.00   8.02) =  99.684%  kept
          HB2   LEU   40 - QD    PHE   45  13.87 +/- 0.96   6.473% *  1.2069% (1.00   0.02   0.02) =   0.123%  kept
          HB3   ARG+  54 - QD    PHE   45  14.87 +/- 1.95   8.674% *  0.7320% (0.61   0.02   0.02) =   0.100%
          HB    VAL   18 - QD    PHE   45  16.08 +/- 6.26   6.700% *  0.4117% (0.34   0.02   0.02) =   0.043%
          HB2   LEU   67 - QD    PHE   45  12.82 +/- 2.01   9.819% *  0.1862% (0.15   0.02   0.02) =   0.029%
          HB3   GLU-  14 - QD    PHE   45  21.37 +/- 4.29   1.528% *  0.5875% (0.49   0.02   0.02) =   0.014%
          HG3   MET   11 - QD    PHE   45  25.90 +/- 5.27   1.123% *  0.3725% (0.31   0.02   0.02) =   0.007%
    Distance limit 5.37 A violated in 3 structures by 0.58 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 2.03, residual support = 5.86:
          HB2   MET   96 - QD    PHE   45   5.39 +/- 1.19  40.438% * 49.0995% (0.87   2.12   8.02) =  69.342%  kept
          HB3   ASP-  76 - QD    PHE   45   7.75 +/- 1.13  17.492% * 47.1861% (0.92   1.92   1.04) =  28.826%  kept
          HG3   MET   92 - QD    PHE   45   7.73 +/- 1.91  22.664% *  2.0918% (0.34   0.23   0.02) =   1.656%  kept
          HB2   ASP- 105 - QD    PHE   45  11.67 +/- 1.21   3.913% *  0.3873% (0.73   0.02   0.02) =   0.053%
          HB    VAL   70 - QD    PHE   45  11.93 +/- 1.56   5.451% *  0.2391% (0.45   0.02   0.02) =   0.046%
          QG    GLN   17 - QD    PHE   45  16.51 +/- 5.32   6.044% *  0.2002% (0.38   0.02   0.02) =   0.042%
          HG2   GLU- 100 - QD    PHE   45  17.35 +/- 1.35   1.230% *  0.5147% (0.97   0.02   0.02) =   0.022%
          HB2   GLU-  25 - QD    PHE   45  17.92 +/- 3.07   1.356% *  0.1483% (0.28   0.02   0.02) =   0.007%
          HB2   GLU-  29 - QD    PHE   45  17.85 +/- 3.21   1.413% *  0.1330% (0.25   0.02   0.02) =   0.007%
    Distance limit 5.50 A violated in 0 structures by 0.09 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.05, residual support = 79.8:
      O T HB3   PHE   45 - QD    PHE   45   2.54 +/- 0.18  82.015% * 99.5701% (0.80  10.0 10.00   5.06  79.82) =  99.979%  kept
          HB3   ASP-  86 - QD    PHE   45   8.12 +/- 1.86  11.049% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.015%
          QE    LYS+ 112 - QD    PHE   45  10.76 +/- 3.10   2.529% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - QD    PHE   45   8.36 +/- 0.90   2.864% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - QD    PHE   45  13.00 +/- 2.65   1.288% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QD    PHE   45  19.00 +/- 3.18   0.255% *  0.1200% (0.97   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.35, residual support = 79.8:
      O T HB2   PHE   45 - QD    PHE   45   2.53 +/- 0.16  97.344% * 99.8423% (0.97  10.0 10.00   4.35  79.82) =  99.998%  kept
          QE    LYS+ 111 - QD    PHE   45  12.56 +/- 2.45   1.470% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - QD    PHE   45  14.64 +/- 5.28   1.186% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.50 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 = 0.686, support = 3.26, residual support = 26.8:
          HB    THR   94 - QD    PHE   45   3.13 +/- 0.72  73.665% * 85.0795% (0.69   3.29  27.09) =  99.091%  kept
          QB    SER   85 - QD    PHE   45   9.16 +/- 0.95   4.150% *  8.4487% (0.95   0.24   0.02) =   0.554%  kept
          HA    ALA   88 - QD    PHE   45   8.11 +/- 0.97   5.867% *  2.3261% (0.15   0.40   0.34) =   0.216%  kept
          HA    LYS+  65 - QD    PHE   45  12.79 +/- 3.75   5.888% *  0.6756% (0.90   0.02   0.02) =   0.063%
          QB    SER   48 - QD    PHE   45  10.13 +/- 0.82   3.028% *  0.6032% (0.80   0.02   0.02) =   0.029%
          HA2   GLY   16 - QD    PHE   45  20.88 +/- 6.01   1.606% *  0.7126% (0.95   0.02   0.02) =   0.018%
          HA    ALA  120 - QD    PHE   45  18.24 +/- 1.77   0.594% *  0.7270% (0.97   0.02   0.02) =   0.007%
          HD2   PRO   52 - QD    PHE   45  12.58 +/- 1.99   1.721% *  0.2325% (0.31   0.02   0.02) =   0.006%
          HA2   GLY   51 - QD    PHE   45  14.64 +/- 1.08   0.908% *  0.3964% (0.53   0.02   0.02) =   0.006%
          HA    LYS+ 121 - QD    PHE   45  18.07 +/- 1.95   0.649% *  0.4569% (0.61   0.02   0.02) =   0.005%
          QB    SER  117 - QD    PHE   45  13.43 +/- 1.28   1.292% *  0.2095% (0.28   0.02   0.02) =   0.004%
          HA    GLN   32 - QD    PHE   45  18.07 +/- 2.95   0.632% *  0.1319% (0.18   0.02   0.02) =   0.001%
    Distance limit 5.14 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 = 0.335, support = 4.17, residual support = 17.4:
          HA    ASP-  44 - QD    PHE   45   3.40 +/- 0.66  47.213% * 74.5898% (0.34   4.52  18.28) =  90.421%  kept
          HB    THR   77 - QD    PHE   45   4.75 +/- 1.40  28.466% * 11.7762% (0.28   0.88  10.52) =   8.607%  kept
          HA    SER   85 - QD    PHE   45   8.86 +/- 0.95   3.291% *  9.2776% (0.28   0.69   0.02) =   0.784%  kept
          HA    ASP-  86 - QD    PHE   45   9.44 +/- 1.62   3.688% *  0.9477% (0.98   0.02   0.02) =   0.090%
          HA    TRP   87 - QD    PHE   45   7.30 +/- 1.55  13.163% *  0.1492% (0.15   0.02   0.02) =   0.050%
          HA    LEU  104 - QD    PHE   45  13.87 +/- 1.62   1.006% *  0.8076% (0.84   0.02   0.02) =   0.021%
          HA    ILE  103 - QD    PHE   45  11.27 +/- 1.61   2.449% *  0.1913% (0.20   0.02   0.02) =   0.012%
          HA    GLU-  14 - QD    PHE   45  20.99 +/- 4.03   0.337% *  0.9647% (1.00   0.02   0.02) =   0.008%
          HA    ALA   12 - QD    PHE   45  23.54 +/- 4.01   0.207% *  0.9331% (0.97   0.02   0.02) =   0.005%
          HA    MET   11 - QD    PHE   45  25.70 +/- 4.74   0.181% *  0.3629% (0.38   0.02   0.02) =   0.002%
    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 = 5.01, residual support = 79.1:
          HA    PHE   45 - QD    PHE   45   2.59 +/- 0.46  90.332% * 88.3180% (0.25   5.06  79.82) =  99.094%  kept
          HA    MET   92 - QD    PHE   45   6.92 +/- 1.25   7.713% *  9.1591% (0.25   0.52   0.02) =   0.877%  kept
          HA    VAL   41 - QD    PHE   45  10.66 +/- 0.70   1.542% *  1.1218% (0.80   0.02   0.02) =   0.021%
          HA    HIS  122 - QD    PHE   45  18.05 +/- 2.43   0.413% *  1.4010% (1.00   0.02   0.02) =   0.007%
    Distance limit 5.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.41, residual support = 68.3:
          HN    PHE   45 - QD    PHE   45   2.39 +/- 0.65  75.161% * 56.3555% (0.45   5.66  79.82) =  81.361%  kept
          HN    ASP-  44 - QD    PHE   45   4.29 +/- 0.66  22.486% * 43.1228% (0.45   4.33  18.28) =  18.626%  kept
          HN    ALA  110 - QD    PHE   45  10.81 +/- 2.55   1.843% *  0.3053% (0.69   0.02   0.02) =   0.011%
          HN    GLU-  25 - QD    PHE   45  15.79 +/- 3.10   0.509% *  0.2163% (0.49   0.02   0.02) =   0.002%
    Distance limit 5.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 79.8:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  97.737% * 99.7606% (0.98  10.0   1.00  79.82) =  99.996%  kept
          QD    PHE   72 - HZ    PHE   45   9.66 +/- 1.65   1.996% *  0.1766% (0.87   1.0   0.02   0.02) =   0.004%
          HD22  ASN   69 - HZ    PHE   45  18.63 +/- 3.22   0.267% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.627, support = 4.7, residual support = 56.1:
          HN    TRP   49 - HD1   TRP   49   2.74 +/- 0.91  72.497% * 33.4950% (0.38   5.22  92.42) =  58.327%  kept
          HN    CYS   50 - HD1   TRP   49   4.42 +/- 1.14  26.165% * 66.2978% (0.98   3.96   5.25) =  41.666%  kept
          HN    VAL   83 - HD1   TRP   49  16.49 +/- 2.71   1.338% *  0.2072% (0.61   0.02   0.02) =   0.007%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.58, residual support = 92.4:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.58  92.42) = 100.000%  kept
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 92.4:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.110% * 99.8040% (0.41  10.0   1.00  92.42) =  99.999%  kept
          QD    PHE   97 - HZ2   TRP   49  15.86 +/- 2.87   0.648% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  22.97 +/- 4.00   0.242% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 92.4:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  92.42) = 100.000%  kept
    Distance limit 5.03 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 = 92.4:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.351% * 99.8708% (1.00  10.0   1.00  92.42) =  99.999%  kept
          HN    LYS+ 121 - HH2   TRP   49  19.12 +/- 4.35   0.649% *  0.1292% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 0.912, support = 1.5, residual support = 7.92:
          QD1   ILE   89 - HZ    PHE   45   4.43 +/- 2.11  46.287% * 51.7460% (0.84   1.69  12.55) =  50.619%  kept
          QG2   VAL   83 - HZ    PHE   45   4.22 +/- 2.36  48.961% * 47.6659% (0.99   1.31   3.18) =  49.322%  kept
          QD2   LEU   31 - HZ    PHE   45  10.78 +/- 3.72   4.752% *  0.5881% (0.80   0.02   0.02) =   0.059%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.05, residual support = 92.4:
      O T HB2   TRP   49 - HD1   TRP   49   3.79 +/- 0.26  79.535% * 99.5547% (0.65  10.0 10.00   5.05  92.42) =  99.985%  kept
          HA2   GLY  109 - HD1   TRP   49  15.08 +/- 5.20  10.344% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.006%
          HA    VAL   75 - HD1   TRP   49  14.67 +/- 2.74   3.439% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   84 - HD1   TRP   49  13.69 +/- 2.50   2.448% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HD1   TRP   49  15.40 +/- 3.06   2.460% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HD1   TRP   49  19.62 +/- 4.07   1.007% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - HD1   TRP   49  20.36 +/- 3.81   0.766% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.04 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 = 5.0, residual support = 92.4:
      O T HB3   TRP   49 - HD1   TRP   49   2.92 +/- 0.19  98.107% * 99.9191% (0.90  10.0 10.00   5.00  92.42) =  99.998%  kept
          HB3   PHE   59 - HD1   TRP   49  14.96 +/- 3.23   1.893% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.827, support = 3.74, residual support = 15.3:
          QB    ALA   47 - HD1   TRP   49   2.90 +/- 1.27  73.151% * 94.1373% (0.84   3.79  15.59) =  98.315%  kept
          HG2   LYS+ 112 - HD1   TRP   49  13.59 +/- 5.23  22.590% *  5.1651% (0.38   0.46   0.02) =   1.666%  kept
          QB    ALA   64 - HD1   TRP   49  14.41 +/- 2.44   2.838% *  0.2663% (0.45   0.02   0.02) =   0.011%
          QG1   VAL   42 - HD1   TRP   49  14.71 +/- 1.87   1.421% *  0.4313% (0.73   0.02   0.02) =   0.009%
    Distance limit 5.10 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 = 0.859, support = 0.667, residual support = 2.7:
          HB3   PRO   52 - HZ2   TRP   49   6.60 +/- 1.90  32.253% * 69.1350% (0.87  1.00   0.75   3.04) =  88.697%  kept
        T HG    LEU  123 - HZ2   TRP   49  20.09 +/- 6.23  11.765% * 18.4360% (0.87 10.00   0.02   0.02) =   8.628%  kept
          HG3   PRO   68 - HZ2   TRP   49  22.43 +/- 6.39   8.673% *  1.6243% (0.76  1.00   0.02   0.02) =   0.560%  kept
          HG2   ARG+  54 - HZ2   TRP   49  11.36 +/- 2.21   9.393% *  1.4599% (0.69  1.00   0.02   0.02) =   0.546%  kept
          HB    ILE  103 - HZ2   TRP   49  20.95 +/- 5.07   8.756% *  1.5433% (0.73  1.00   0.02   0.02) =   0.538%  kept
          HB3   GLN   90 - HZ2   TRP   49  13.82 +/- 4.85   9.084% *  0.9529% (0.45  1.00   0.02   0.02) =   0.344%  kept
          QB    LYS+  81 - HZ2   TRP   49  16.28 +/- 4.30   6.602% *  0.7977% (0.38  1.00   0.02   0.02) =   0.209%  kept
          QB    LYS+ 106 - HZ2   TRP   49  14.59 +/- 3.55   5.732% *  0.7250% (0.34  1.00   0.02   0.02) =   0.165%  kept
          HG12  ILE  103 - HZ2   TRP   49  19.83 +/- 4.32   1.892% *  1.2891% (0.61  1.00   0.02   0.02) =   0.097%
          HB3   ASP- 105 - HZ2   TRP   49  18.88 +/- 4.00   1.685% *  1.3749% (0.65  1.00   0.02   0.02) =   0.092%
          QB    LYS+  66 - HZ2   TRP   49  17.57 +/- 4.35   2.663% *  0.5909% (0.28  1.00   0.02   0.02) =   0.063%
          HB    VAL   41 - HZ2   TRP   49  21.23 +/- 3.35   0.960% *  0.9529% (0.45  1.00   0.02   0.02) =   0.036%
          QB    LYS+  33 - HZ2   TRP   49  25.62 +/- 3.43   0.540% *  1.1182% (0.53  1.00   0.02   0.02) =   0.024%
    Distance limit 5.01 A violated in 1 structures by 0.72 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 1.99, residual support = 15.6:
          QB    ALA   47 - HZ2   TRP   49   4.53 +/- 1.84  63.616% * 97.9714% (0.69   2.00  15.59) =  99.758%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  11.07 +/- 4.84  31.933% *  0.3557% (0.25   0.02   0.02) =   0.182%  kept
          QB    ALA   64 - HZ2   TRP   49  13.99 +/- 1.97   2.502% *  0.8652% (0.61   0.02   0.02) =   0.035%
          QG1   VAL   42 - HZ2   TRP   49  13.79 +/- 1.70   1.950% *  0.8076% (0.57   0.02   0.02) =   0.025%
    Distance limit 4.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.357, support = 0.719, residual support = 2.91:
          HG2   PRO   52 - HH2   TRP   49   4.62 +/- 2.26  52.900% * 73.0242% (0.34   0.75   3.04) =  95.755%  kept
          QB    MET   11 - HH2   TRP   49  29.15 +/- 7.03  11.152% *  3.9214% (0.69   0.02   0.02) =   1.084%  kept
          QG    GLU- 114 - HH2   TRP   49  12.30 +/- 3.43   9.539% *  4.5712% (0.80   0.02   0.02) =   1.081%  kept
          HG2   MET   92 - HH2   TRP   49  11.68 +/- 4.43   8.405% *  4.9520% (0.87   0.02   0.02) =   1.032%  kept
          HB2   GLU-  79 - HH2   TRP   49  18.04 +/- 5.36   6.962% *  4.1454% (0.73   0.02   0.02) =   0.715%  kept
          HB2   ASP-  44 - HH2   TRP   49  14.25 +/- 2.12   5.520% *  0.9998% (0.18   0.02   0.02) =   0.137%  kept
          HG3   GLU-  36 - HH2   TRP   49  33.21 +/- 4.70   0.465% *  4.9520% (0.87   0.02   0.02) =   0.057%
          QG    GLU-  15 - HH2   TRP   49  25.96 +/- 5.18   1.591% *  1.4235% (0.25   0.02   0.02) =   0.056%
          QG    GLU-  14 - HH2   TRP   49  25.82 +/- 4.98   2.304% *  0.8808% (0.15   0.02   0.02) =   0.050%
          HG3   GLU-  25 - HH2   TRP   49  28.88 +/- 5.24   1.160% *  1.1298% (0.20   0.02   0.02) =   0.032%
    Distance limit 5.34 A violated in 1 structures by 0.38 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.865, support = 1.88, residual support = 2.82:
          HB3   PRO   52 - HH2   TRP   49   5.06 +/- 2.34  45.341% * 78.4267% (0.87   2.00   3.04) =  92.668%  kept
          HG    LEU  123 - HH2   TRP   49  19.50 +/- 6.29  15.885% * 16.2860% (0.87   0.42   0.02) =   6.742%  kept
          HG3   PRO   68 - HH2   TRP   49  22.58 +/- 6.81  11.399% *  0.6910% (0.76   0.02   0.02) =   0.205%  kept
          HB    ILE  103 - HH2   TRP   49  22.17 +/- 5.33  11.127% *  0.6565% (0.73   0.02   0.02) =   0.190%  kept
          HG2   ARG+  54 - HH2   TRP   49  10.54 +/- 1.83   4.612% *  0.6211% (0.69   0.02   0.02) =   0.075%
          HB3   GLN   90 - HH2   TRP   49  15.79 +/- 4.78   2.785% *  0.4053% (0.45   0.02   0.02) =   0.029%
          HG12  ILE  103 - HH2   TRP   49  21.11 +/- 4.55   1.700% *  0.5484% (0.61   0.02   0.02) =   0.024%
          QB    LYS+ 106 - HH2   TRP   49  15.55 +/- 3.64   2.386% *  0.3084% (0.34   0.02   0.02) =   0.019%
          QB    LYS+  81 - HH2   TRP   49  17.96 +/- 4.34   1.839% *  0.3393% (0.38   0.02   0.02) =   0.016%
          HB3   ASP- 105 - HH2   TRP   49  19.48 +/- 4.20   1.037% *  0.5849% (0.65   0.02   0.02) =   0.016%
          QB    LYS+  66 - HH2   TRP   49  17.59 +/- 4.26   1.194% *  0.2514% (0.28   0.02   0.02) =   0.008%
          HB    VAL   41 - HH2   TRP   49  22.31 +/- 3.89   0.461% *  0.4053% (0.45   0.02   0.02) =   0.005%
          QB    LYS+  33 - HH2   TRP   49  26.42 +/- 3.78   0.234% *  0.4757% (0.53   0.02   0.02) =   0.003%
    Distance limit 5.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.261, support = 2.39, residual support = 20.5:
      O   QB    PHE   55 - QD    PHE   55   2.18 +/- 0.05  84.252% * 72.2035% (0.25  10.0   2.38  21.03) =  96.680%  kept
          HD2   ARG+  54 - QD    PHE   55   6.43 +/- 1.38   7.695% * 25.4857% (0.61   1.0   2.90   3.84) =   3.117%  kept
          HB3   CYS   53 - QD    PHE   55   6.49 +/- 1.59   5.926% *  2.1226% (0.53   1.0   0.28   0.02) =   0.200%  kept
          HD3   PRO   93 - QD    PHE   55  11.57 +/- 4.02   1.795% *  0.0988% (0.34   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - QD    PHE   55  16.78 +/- 3.37   0.332% *  0.0894% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.844, support = 2.1, residual support = 19.9:
          HA    PHE   55 - QD    PHE   55   3.08 +/- 0.56  85.014% * 65.2457% (0.84   2.17  21.03) =  94.553%  kept
          HA    ALA  110 - QD    PHE   55  10.42 +/- 4.18   9.502% * 33.4723% (1.00   0.93   0.02) =   5.421%  kept
          HA    GLN   90 - QD    PHE   55  18.40 +/- 3.13   0.809% *  0.6958% (0.97   0.02   0.02) =   0.010%
          HA    VAL  107 - QD    PHE   55  12.54 +/- 2.07   1.943% *  0.2459% (0.34   0.02   0.02) =   0.008%
          HA    ALA   91 - QD    PHE   55  15.98 +/- 3.72   1.850% *  0.1605% (0.22   0.02   0.02) =   0.005%
          HA    VAL   42 - QD    PHE   55  16.43 +/- 2.47   0.883% *  0.1798% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.85 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 = 0.502, support = 1.74, residual support = 3.14:
          HB3   LEU  115 - QD    PHE   55   7.64 +/- 2.27  23.634% * 50.0774% (0.31  1.00   2.55   4.78) =  65.574%  kept
          QB    ALA   61 - QD    PHE   55   8.91 +/- 1.35  14.165% * 17.3270% (0.97  1.00   0.28   0.02) =  13.599%  kept
          QB    ALA  110 - QD    PHE   55   8.55 +/- 3.59  21.135% * 11.3470% (0.80  1.00   0.22   0.02) =  13.288%  kept
        T QG    LYS+  66 - QD    PHE   55  13.14 +/- 2.37   8.962% * 12.0179% (0.95 10.00   0.02   0.02) =   5.967%  kept
        T HG    LEU   67 - QD    PHE   55  17.02 +/- 2.46   4.175% *  2.8285% (0.22 10.00   0.02   0.02) =   0.654%  kept
          HB3   LEU   67 - QD    PHE   55  16.88 +/- 2.59   3.016% *  1.2704% (1.00  1.00   0.02   0.02) =   0.212%  kept
          HG    LEU   73 - QD    PHE   55  17.04 +/- 4.74   3.555% *  1.0173% (0.80  1.00   0.02   0.02) =   0.200%  kept
          HG12  ILE   19 - QD    PHE   55  19.51 +/- 3.53   1.986% *  0.9225% (0.73  1.00   0.02   0.02) =   0.102%  kept
          HG    LEU   80 - QD    PHE   55  20.57 +/- 3.48   1.432% *  1.0612% (0.84  1.00   0.02   0.02) =   0.084%
          HD3   LYS+ 121 - QD    PHE   55  15.25 +/- 2.67   5.688% *  0.2514% (0.20  1.00   0.02   0.02) =   0.079%
          HG    LEU   40 - QD    PHE   55  17.94 +/- 3.03   3.610% *  0.3921% (0.31  1.00   0.02   0.02) =   0.078%
          HB3   LYS+  74 - QD    PHE   55  15.80 +/- 4.16   6.041% *  0.2225% (0.18  1.00   0.02   0.02) =   0.074%
          HG2   LYS+ 102 - QD    PHE   55  25.06 +/- 3.33   1.149% *  0.8727% (0.69  1.00   0.02   0.02) =   0.056%
          HB2   LEU   80 - QD    PHE   55  20.20 +/- 2.99   1.452% *  0.3921% (0.31  1.00   0.02   0.02) =   0.032%
    Distance limit 4.74 A violated in 8 structures by 1.28 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.15, residual support = 4.7:
          QD2   LEU  115 - QD    PHE   55   5.55 +/- 2.25  47.146% * 89.0338% (0.87  1.00   2.19   4.78) =  98.407%  kept
        T QD2   LEU   80 - QD    PHE   55  17.20 +/- 2.87   4.365% *  7.8431% (0.84 10.00   0.02   0.02) =   0.803%  kept
          QD1   LEU   63 - QD    PHE   55   9.61 +/- 1.86  11.935% *  0.9369% (1.00  1.00   0.02   0.02) =   0.262%  kept
          QD1   LEU   73 - QD    PHE   55  14.59 +/- 4.01  10.311% *  0.9369% (1.00  1.00   0.02   0.02) =   0.226%  kept
          QD2   LEU   63 - QD    PHE   55  10.55 +/- 2.64  14.883% *  0.4940% (0.53  1.00   0.02   0.02) =   0.172%  kept
          QD1   LEU  104 - QD    PHE   55  16.10 +/- 3.31   8.926% *  0.5695% (0.61  1.00   0.02   0.02) =   0.119%  kept
          QG1   VAL   83 - QD    PHE   55  16.97 +/- 2.07   2.433% *  0.1858% (0.20  1.00   0.02   0.02) =   0.011%
    Distance limit 4.94 A violated in 2 structures by 0.43 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.958, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   5.40 +/- 1.48  87.010% * 72.5341% (0.99   0.02   0.02) =  94.649%  kept
          HB3   TRP   49 - QE    PHE   95  12.56 +/- 2.96  12.990% * 27.4659% (0.38   0.02   0.02) =   5.351%  kept
    Distance limit 4.87 A violated in 6 structures by 0.89 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 = 0.662, support = 1.81, residual support = 6.35:
        T QE    LYS+ 112 - QE    PHE   95   5.34 +/- 2.84  35.292% * 87.0073% (0.69 10.00   1.79   4.49) =  92.242%  kept
          HB    VAL  107 - QE    PHE   95   4.81 +/- 0.70  31.327% *  5.5952% (0.28  1.00   2.85  41.37) =   5.265%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.97 +/- 2.58  16.018% *  3.9168% (0.57 10.00   0.10   0.02) =   1.885%  kept
          HB3   PHE   45 - QE    PHE   95   7.29 +/- 1.35  12.225% *  1.0377% (0.69  1.00   0.21   1.89) =   0.381%  kept
          HG3   MET   96 - QE    PHE   95   9.71 +/- 0.56   3.363% *  2.1686% (0.20  1.00   1.55  11.96) =   0.219%  kept
          HB3   ASP-  86 - QE    PHE   95  15.00 +/- 1.68   1.348% *  0.1335% (0.95  1.00   0.02   0.02) =   0.005%
          HG2   GLU-  29 - QE    PHE   95  21.61 +/- 2.27   0.427% *  0.1408% (1.00  1.00   0.02   0.02) =   0.002%
    Distance limit 5.47 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 = 0.66, support = 0.463, residual support = 0.185:
          QG1   ILE   56 - QE    PHE   95   4.92 +/- 1.48  31.022% * 20.2321% (0.53   0.43   0.31) =  43.673%  kept
          HD2   LYS+ 111 - QE    PHE   95   8.76 +/- 2.23  11.836% * 39.7195% (0.69   0.65   0.14) =  32.711%  kept
          QD    LYS+ 106 - QE    PHE   95   9.29 +/- 1.45   7.899% * 30.5199% (1.00   0.34   0.02) =  16.774%  kept
          HG3   PRO   93 - QE    PHE   95   6.19 +/- 1.69  20.449% *  2.8271% (0.38   0.08   0.02) =   4.023%  kept
          HB2   LEU   73 - QE    PHE   95  11.16 +/- 4.15  12.135% *  1.6414% (0.92   0.02   0.11) =   1.386%  kept
          HB3   MET   92 - QE    PHE   95   7.69 +/- 1.33   9.902% *  1.4238% (0.80   0.02   0.02) =   0.981%  kept
          QD    LYS+  99 - QE    PHE   95  14.63 +/- 0.97   1.859% *  1.7781% (1.00   0.02   0.02) =   0.230%  kept
          HB3   LYS+  99 - QE    PHE   95  15.05 +/- 1.06   1.972% *  0.7310% (0.41   0.02   0.02) =   0.100%  kept
          HB2   LEU  123 - QE    PHE   95  13.73 +/- 1.67   1.783% *  0.7310% (0.41   0.02   0.02) =   0.091%
          QD    LYS+ 102 - QE    PHE   95  16.65 +/- 1.10   1.143% *  0.3959% (0.22   0.02   0.02) =   0.031%
    Distance limit 5.29 A violated in 0 structures by 0.11 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 = 0.619, support = 2.26, residual support = 34.7:
          QG2   VAL  107 - QE    PHE   95   3.51 +/- 0.74  56.073% * 50.8867% (0.69  1.00   2.39  41.37) =  78.816%  kept
          QG2   THR   94 - QE    PHE   95   5.24 +/- 0.63  19.613% * 19.3456% (0.34  1.00   1.83  15.11) =  10.480%  kept
          HB3   LYS+ 112 - QE    PHE   95   6.55 +/- 2.37  18.710% * 19.8535% (0.38  1.00   1.71   4.49) =  10.260%  kept
          HG13  ILE  103 - QE    PHE   95  12.68 +/- 0.90   1.520% *  8.6821% (1.00  1.00   0.28   0.02) =   0.365%  kept
        T QB    ALA   20 - QE    PHE   95  12.62 +/- 2.90   2.548% *  0.9547% (0.15 10.00   0.02   0.02) =   0.067%
          HG2   LYS+ 121 - QE    PHE   95  13.19 +/- 1.60   1.536% *  0.2774% (0.45  1.00   0.02   0.02) =   0.012%
    Distance limit 5.35 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 = 0.885, support = 3.32, residual support = 7.13:
          QD2   LEU  115 - QE    PHE   95   3.82 +/- 1.79  45.612% * 54.6389% (0.87  1.00   3.98   8.80) =  76.994%  kept
          QD1   LEU   63 - QE    PHE   95   6.28 +/- 3.12  26.088% * 17.8803% (1.00  1.00   1.13   2.08) =  14.411%  kept
          QD1   LEU   73 - QE    PHE   95   9.74 +/- 3.12  10.338% * 18.9616% (1.00  1.00   1.20   0.11) =   6.056%  kept
          QD2   LEU   63 - QE    PHE   95   7.16 +/- 3.02  14.023% *  5.6198% (0.53  1.00   0.67   2.08) =   2.435%  kept
        T QD2   LEU   80 - QE    PHE   95  12.56 +/- 2.03   1.143% *  2.6447% (0.84 10.00   0.02   0.02) =   0.093%
          QD1   LEU  104 - QE    PHE   95  11.38 +/- 1.21   1.414% *  0.1920% (0.61  1.00   0.02   0.02) =   0.008%
          QG1   VAL   83 - QE    PHE   95  11.68 +/- 1.30   1.382% *  0.0627% (0.20  1.00   0.02   0.02) =   0.003%
    Distance limit 4.85 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 = 0.345, support = 1.67, residual support = 8.66:
        T QD1   LEU  115 - QE    PHE   95   2.79 +/- 2.03  75.916% * 93.0216% (0.34 10.00   1.69   8.80) =  98.252%  kept
          QB    ALA   64 - QE    PHE   95   7.29 +/- 1.86  18.118% *  6.9145% (0.57  1.00   0.76   0.81) =   1.743%  kept
          QG1   VAL   75 - QE    PHE   95   7.38 +/- 1.55   5.966% *  0.0638% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 1.12, residual support = 72.4:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  89.847% * 95.5459% (0.84  10.0   1.11  72.70) =  99.561%  kept
          HN    LEU   63 - QD    PHE   60   4.95 +/- 0.45   9.153% *  4.1208% (0.15   1.0   2.60  10.37) =   0.437%  kept
          HZ2   TRP   87 - QD    PHE   60  14.48 +/- 2.80   0.475% *  0.1842% (0.90   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - QD    PHE   60  16.39 +/- 3.23   0.525% *  0.1491% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.78, residual support = 72.7:
      O T HB3   PHE   60 - QD    PHE   60   2.46 +/- 0.18  83.762% * 99.7227% (0.73  10.0 10.00   3.78  72.70) =  99.995%  kept
          HB3   TRP   27 - QD    PHE   60  13.09 +/- 3.42  10.272% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - QD    PHE   60   8.91 +/- 1.84   3.181% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - QD    PHE   60  13.17 +/- 1.75   0.696% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    PHE   60  11.35 +/- 2.36   1.520% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.80 +/- 2.49   0.198% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.57 +/- 2.80   0.372% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.89, support = 1.86, residual support = 2.81:
          QD1   ILE   56 - QD    PHE   60   4.76 +/- 1.76  52.625% * 31.4540% (0.99  1.00   1.32   4.15) =  50.496%  kept
          QD2   LEU   73 - QD    PHE   60   7.99 +/- 2.92  29.155% * 51.5633% (0.84  1.00   2.57   1.55) =  45.860%  kept
        T QG1   VAL   41 - QD    PHE   60  11.54 +/- 1.61   7.095% * 16.3230% (0.18 10.00   0.39   0.02) =   3.533%  kept
          HG    LEU   31 - QD    PHE   60  14.88 +/- 3.20   8.050% *  0.3299% (0.69  1.00   0.02   0.02) =   0.081%
          HG3   LYS+ 121 - QD    PHE   60  14.37 +/- 1.46   3.076% *  0.3299% (0.69  1.00   0.02   0.02) =   0.031%
    Distance limit 4.44 A violated in 5 structures by 0.60 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.83, residual support = 2.71:
          QB    ALA   64 - QD    PHE   60   4.49 +/- 1.68 100.000% *100.0000% (0.95   1.83   2.71) = 100.000%  kept
    Distance limit 4.37 A violated in 5 structures by 0.79 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.06, residual support = 62.2:
          HN    PHE   97 - QD    PHE   97   2.88 +/- 0.83  95.114% * 99.3221% (0.97   4.06  62.26) =  99.982%  kept
          HN    LEU  115 - QD    PHE   97  10.56 +/- 2.24   3.108% *  0.4889% (0.97   0.02   0.02) =   0.016%
          HN    ASP- 113 - QD    PHE   97  13.69 +/- 2.05   1.349% *  0.1003% (0.20   0.02   0.02) =   0.001%
          HN    ALA   12 - QD    PHE   97  22.12 +/- 4.24   0.430% *  0.0887% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.17 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 = 0.684, support = 1.06, residual support = 1.3:
          HA    ILE  119 - QD    PHE   97   9.03 +/- 3.98  23.471% * 54.2621% (0.76   1.08   0.72) =  50.062%  kept
          HA    THR  118 - QD    PHE   97   8.33 +/- 3.58  29.147% * 42.7183% (0.61   1.07   1.92) =  48.943%  kept
          HA    VAL   75 - QD    PHE   97  12.68 +/- 1.39  11.661% *  0.6948% (0.53   0.02   0.02) =   0.318%  kept
          HD3   PRO   58 - QD    PHE   97  12.81 +/- 3.14  14.159% *  0.3672% (0.28   0.02   0.02) =   0.204%  kept
          HA    ALA   84 - QD    PHE   97  15.10 +/- 1.77   7.682% *  0.6428% (0.49   0.02   0.02) =   0.194%  kept
          HA2   GLY  109 - QD    PHE   97  12.44 +/- 1.18  11.056% *  0.4076% (0.31   0.02   0.02) =   0.177%  kept
          HB2   TRP   49 - QD    PHE   97  19.29 +/- 3.11   2.824% *  0.9072% (0.69   0.02   0.02) =   0.101%  kept
    Distance limit 4.75 A violated in 10 structures by 1.89 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 61.9:
      O T HB2   PHE   97 - QD    PHE   97   2.48 +/- 0.14  81.782% * 90.4242% (0.90  10.0 10.00   2.44  62.26) =  99.389%  kept
          QE    LYS+ 106 - QD    PHE   97   6.77 +/- 0.73   4.762% *  9.3877% (0.95   1.0  1.00   1.97  10.88) =   0.601%  kept
          HB3   PHE   60 - QD    PHE   97  10.15 +/- 3.11   7.385% *  0.0807% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          HB3   TRP   27 - QD    PHE   97  13.01 +/- 2.94   1.135% *  0.0875% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - QD    PHE   97   6.99 +/- 1.09   4.936% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.3:
      O T HB3   PHE   97 - QD    PHE   97   2.47 +/- 0.17  94.966% * 99.7112% (1.00  10.0 10.00   2.74  62.26) =  99.996%  kept
          HB2   PRO   58 - QD    PHE   97  12.81 +/- 3.79   2.066% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU- 100 - QD    PHE   97  10.98 +/- 1.44   1.482% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  12.42 +/- 2.41   1.099% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  16.63 +/- 1.70   0.387% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.788, support = 1.71, residual support = 4.65:
          QG1   VAL  107 - QD    PHE   97   5.35 +/- 1.24  54.241% * 67.2469% (0.84   1.73   5.19) =  88.177%  kept
          HG13  ILE  119 - QD    PHE   97   9.98 +/- 2.89  15.286% * 30.4963% (0.41   1.60   0.72) =  11.270%  kept
          QG1   VAL   24 - QD    PHE   97  14.34 +/- 3.89  14.923% *  0.9293% (1.00   0.02   0.02) =   0.335%  kept
          HD3   LYS+ 112 - QD    PHE   97  13.33 +/- 2.19   5.110% *  0.9109% (0.98   0.02   0.02) =   0.113%  kept
          HB3   LEU   31 - QD    PHE   97  11.96 +/- 1.95  10.439% *  0.4166% (0.45   0.02   0.02) =   0.105%  kept
    Distance limit 4.47 A violated in 5 structures by 0.76 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.703, support = 3.05, residual support = 14.3:
          HB2   LEU  104 - QD    PHE   97   3.79 +/- 1.04  67.630% * 55.9868% (0.69   3.30  16.15) =  87.989%  kept
          QD1   ILE  119 - QD    PHE   97   8.51 +/- 2.46  10.360% * 34.8975% (0.95   1.49   0.72) =   8.402%  kept
          QG2   VAL  108 - QD    PHE   97   7.69 +/- 1.07  17.465% *  8.8160% (0.53   0.68   0.02) =   3.578%  kept
          HB    VAL   75 - QD    PHE   97  10.71 +/- 1.47   4.544% *  0.2998% (0.61   0.02   0.02) =   0.032%
    Distance limit 4.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.43, residual support = 1.89:
          QG2   THR  118 - QD    PHE   97   5.20 +/- 3.34  58.632% * 97.6892% (0.20   1.46   1.92) =  98.358%  kept
          QG2   VAL   70 - QD    PHE   97   6.10 +/- 1.25  41.368% *  2.3108% (0.34   0.02   0.02) =   1.642%  kept
    Distance limit 4.80 A violated in 0 structures by 0.16 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.957, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   7.99 +/- 1.50  75.888% * 85.0969% (1.00   0.02   0.02) =  94.729%  kept
          QB    ALA   47 - QD    PHE   97  13.05 +/- 1.83  24.112% * 14.9031% (0.18   0.02   0.02) =   5.271%  kept
    Distance limit 5.18 A violated in 15 structures by 2.66 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.91, residual support = 28.5:
          HN    LEU  115 - QD    PHE   59   5.08 +/- 0.78  61.222% * 99.0582% (0.97   2.92  28.54) =  99.759%  kept
          HN    PHE   97 - QD    PHE   59  10.43 +/- 2.29  17.117% *  0.6792% (0.97   0.02   0.02) =   0.191%  kept
          HN    ASP- 113 - QD    PHE   59   7.72 +/- 1.06  20.632% *  0.1393% (0.20   0.02   0.02) =   0.047%
          HN    ALA   12 - QD    PHE   59  23.08 +/- 4.78   1.029% *  0.1233% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.39 A violated in 0 structures by 0.17 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.84, residual support = 55.0:
          HA    PHE   59 - QD    PHE   59   2.36 +/- 0.35  72.270% * 67.6602% (0.61   3.01  57.87) =  92.504%  kept
          HA    ILE   56 - QD    PHE   59   5.40 +/- 1.61  22.380% * 16.8716% (0.61   0.75  20.12) =   7.143%  kept
          HA    LEU  123 - QD    PHE   59  10.03 +/- 0.95   1.166% * 13.5398% (0.49   0.75   0.02) =   0.299%  kept
          HA    ASP- 113 - QD    PHE   59   7.13 +/- 1.28   3.395% *  0.7401% (1.00   0.02   0.02) =   0.048%
          HA    LYS+  99 - QD    PHE   59  15.38 +/- 2.56   0.368% *  0.5940% (0.80   0.02   0.02) =   0.004%
          HA    ASN   35 - QD    PHE   59  20.30 +/- 2.61   0.196% *  0.4799% (0.65   0.02   0.02) =   0.002%
          HA    TRP   87 - QD    PHE   59  17.67 +/- 2.22   0.226% *  0.1145% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.985, support = 2.38, residual support = 20.9:
        T HA    ILE  119 - QD    PHE   59   4.34 +/- 1.10  61.106% * 51.2610% (1.00 10.00   2.36  23.85) =  75.167%  kept
        T HA    THR  118 - QD    PHE   59   6.59 +/- 1.31  21.282% * 48.5987% (0.95 10.00   2.44  12.17) =  24.819%  kept
          HA2   GLY  109 - QD    PHE   59  10.92 +/- 1.74   8.037% *  0.0353% (0.69  1.00   0.02   0.02) =   0.007%
          HB2   TRP   49 - QD    PHE   59  14.61 +/- 2.73   3.418% *  0.0504% (0.98  1.00   0.02   0.02) =   0.004%
          HA    ALA   84 - QD    PHE   59  17.12 +/- 1.33   1.926% *  0.0446% (0.87  1.00   0.02   0.02) =   0.002%
          HA    VAL   75 - QD    PHE   59  13.42 +/- 1.96   4.231% *  0.0102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 5.16 A violated in 2 structures by 0.21 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.7, residual support = 57.8:
      O   HB2   PHE   59 - QD    PHE   59   2.67 +/- 0.12  83.181% * 98.0942% (0.97  10.0   2.71  57.87) =  99.858%  kept
          QB    PHE   55 - QD    PHE   59   7.31 +/- 1.42   6.575% *  1.6865% (0.76   1.0   0.43   0.02) =   0.136%  kept
          HB3   CYS   53 - QD    PHE   59   8.60 +/- 1.51   4.248% *  0.0456% (0.45   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - QD    PHE   59  11.50 +/- 2.35   1.992% *  0.0698% (0.69   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - QD    PHE   59  11.31 +/- 2.12   1.696% *  0.0658% (0.65   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  11.30 +/- 1.91   2.309% *  0.0381% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 3.14, residual support = 57.9:
      O   HB3   PHE   59 - QD    PHE   59   2.38 +/- 0.11  99.205% * 99.9680% (0.97  10.0   3.14  57.87) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  15.03 +/- 2.80   0.795% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.881, support = 2.64, residual support = 27.1:
          HB2   PRO   58 - QD    PHE   59   5.37 +/- 1.49  40.412% * 69.2897% (0.99   2.96  39.50) =  68.074%  kept
          HB2   GLN  116 - QD    PHE   59   5.37 +/- 1.47  43.615% * 29.9774% (0.65   1.96   0.52) =  31.786%  kept
          HB3   PHE   97 - QD    PHE   59  10.23 +/- 2.96  14.543% *  0.3788% (0.80   0.02   0.02) =   0.134%  kept
          HB2   GLU- 100 - QD    PHE   59  19.31 +/- 2.83   0.703% *  0.2489% (0.53   0.02   0.02) =   0.004%
          HG3   GLU-  25 - QD    PHE   59  23.33 +/- 4.47   0.727% *  0.1053% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.1:
        T QG1   ILE   56 - QD    PHE   59   3.47 +/- 0.72  71.675% * 99.5619% (0.97 10.00   1.97  20.12) =  99.979%  kept
          QD    LYS+ 106 - QD    PHE   59  11.31 +/- 1.93   3.884% *  0.1894% (0.34  1.00   0.11   0.02) =   0.010%
          HB2   LEU   73 - QD    PHE   59  12.87 +/- 4.48  20.083% *  0.0208% (0.20  1.00   0.02   0.02) =   0.006%
          HB3   LYS+  99 - QD    PHE   59  14.61 +/- 2.59   1.538% *  0.1046% (1.00  1.00   0.02   0.02) =   0.002%
          HB    ILE   89 - QD    PHE   59  15.83 +/- 1.25   0.917% *  0.0840% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD    PHE   59  13.84 +/- 2.73   1.904% *  0.0394% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 5.03 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 = 0.546, support = 2.45, residual support = 27.8:
          HB3   LEU  115 - QD    PHE   59   2.90 +/- 1.04  39.075% * 61.6154% (0.65   2.37  28.54) =  77.636%  kept
          HG    LEU  115 - QD    PHE   59   3.29 +/- 1.15  32.560% * 18.7786% (0.15   3.03  28.54) =  19.716%  kept
          QB    ALA   61 - QD    PHE   59   5.91 +/- 0.87   6.427% *  6.4474% (0.69   0.23   0.57) =   1.336%  kept
          QB    ALA  120 - QD    PHE   59   7.11 +/- 0.61   3.449% *  8.1354% (0.15   1.31   0.02) =   0.905%  kept
          HG    LEU   73 - QD    PHE   59  12.46 +/- 4.99   8.916% *  0.8024% (1.00   0.02   0.02) =   0.231%  kept
          QG    LYS+  66 - QD    PHE   59   8.61 +/- 2.42   3.374% *  0.7761% (0.97   0.02   0.02) =   0.084%
          QB    ALA  110 - QD    PHE   59   8.67 +/- 1.65   2.577% *  0.3605% (0.45   0.02   0.02) =   0.030%
          HB3   LEU   67 - QD    PHE   59  11.64 +/- 2.72   1.345% *  0.6717% (0.84   0.02   0.02) =   0.029%
          HG    LEU   67 - QD    PHE   59  11.70 +/- 2.63   0.981% *  0.4231% (0.53   0.02   0.02) =   0.013%
          HG    LEU   40 - QD    PHE   59  11.95 +/- 2.35   0.606% *  0.5202% (0.65   0.02   0.02) =   0.010%
          HG2   LYS+ 102 - QD    PHE   59  19.51 +/- 2.82   0.151% *  0.7761% (0.97   0.02   0.02) =   0.004%
          HG    LEU   80 - QD    PHE   59  18.39 +/- 2.51   0.240% *  0.3914% (0.49   0.02   0.02) =   0.003%
          HG12  ILE   19 - QD    PHE   59  15.61 +/- 2.07   0.299% *  0.3018% (0.38   0.02   0.02) =   0.003%
    Distance limit 5.46 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 = 0.461, support = 3.31, residual support = 21.0:
        T HG13  ILE  119 - QD    PHE   59   3.19 +/- 0.68  59.213% * 73.7789% (0.41 10.00   3.71  23.85) =  88.025%  kept
        T QG1   VAL  107 - QD    PHE   59   5.31 +/- 1.30  22.929% * 25.7853% (0.84 10.00   0.34   0.43) =  11.913%  kept
          HD3   LYS+ 112 - QD    PHE   59   6.44 +/- 1.49  15.939% *  0.1759% (0.98  1.00   0.02   1.07) =   0.056%
          QG1   VAL   24 - QD    PHE   59  15.85 +/- 4.43   1.469% *  0.1795% (1.00  1.00   0.02   0.02) =   0.005%
          HB3   LEU   31 - QD    PHE   59  17.69 +/- 2.93   0.451% *  0.0805% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 0.0851, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   7.19 +/- 1.49  57.545% * 86.9547% (0.98   0.09   0.02) =  94.567%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.67 +/- 1.38  26.670% *  7.4938% (0.38   0.02   0.02) =   3.777%  kept
          HB3   LEU  104 - QD    PHE   59  12.92 +/- 2.99  15.786% *  5.5515% (0.28   0.02   0.02) =   1.656%  kept
    Distance limit 5.18 A violated in 9 structures by 1.64 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 4.58, residual support = 26.8:
          QD2   LEU  115 - QD    PHE   59   2.75 +/- 0.97  49.317% * 82.8502% (0.98   4.83  28.54) =  93.921%  kept
          QD1   LEU   63 - QD    PHE   59   5.21 +/- 1.77  16.269% * 12.8346% (0.92   0.80   0.02) =   4.800%  kept
          QD1   LEU   73 - QD    PHE   59  11.16 +/- 3.95  15.356% *  3.4592% (0.92   0.21   0.02) =   1.221%  kept
          QD2   LEU   63 - QD    PHE   59   5.98 +/- 1.90  17.122% *  0.1193% (0.34   0.02   0.02) =   0.047%
          QD1   LEU  104 - QD    PHE   59  10.92 +/- 2.52   1.218% *  0.2800% (0.80   0.02   0.02) =   0.008%
          QD2   LEU   80 - QD    PHE   59  15.38 +/- 1.95   0.336% *  0.3374% (0.97   0.02   0.02) =   0.003%
          QG1   VAL   83 - QD    PHE   59  14.62 +/- 1.31   0.382% *  0.1193% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.63 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 = 4.43, residual support = 28.5:
        T QD1   LEU  115 - QD    PHE   59   2.71 +/- 0.68  85.729% * 99.5188% (0.84 10.00   4.43  28.54) =  99.942%  kept
          QB    ALA   64 - QD    PHE   59   7.15 +/- 1.27  11.806% *  0.4041% (0.15  1.00   0.44   0.02) =   0.056%
          QG1   VAL   75 - QD    PHE   59  10.30 +/- 1.43   2.465% *  0.0771% (0.65  1.00   0.02   0.02) =   0.002%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.729, support = 1.49, residual support = 28.2:
        T HA    LEU  115 - QE    PHE   59   3.41 +/- 0.89  67.577% * 91.5034% (0.73 10.00   1.50  28.54) =  98.751%  kept
          HA    GLU- 114 - QE    PHE   59   7.15 +/- 0.79   9.780% *  7.5742% (1.00  1.00   0.90   0.02) =   1.183%  kept
        T HA    ARG+  54 - QE    PHE   59  10.33 +/- 2.10  10.539% *  0.3325% (0.20 10.00   0.02   0.02) =   0.056%
          HA    CYS   53 - QE    PHE   59   8.92 +/- 1.41   9.377% *  0.0294% (0.18  1.00   0.02   0.02) =   0.004%
          HA    ASN   28 - QE    PHE   59  18.71 +/- 4.42   0.968% *  0.1154% (0.69  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QE    PHE   59  18.03 +/- 3.17   0.649% *  0.1457% (0.87  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - QE    PHE   59  18.44 +/- 3.59   0.571% *  0.1647% (0.98  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - QE    PHE   59  20.45 +/- 4.14   0.540% *  0.1345% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 4.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.8, residual support = 12.2:
        T HB    THR  118 - QE    PHE   59   3.38 +/- 1.40  90.805% * 99.7371% (0.95 10.00   1.80  12.17) =  99.994%  kept
          HA    ILE   89 - QE    PHE   59  15.92 +/- 1.79   2.866% *  0.0709% (0.61  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - QE    PHE   59  17.32 +/- 3.27   2.665% *  0.0524% (0.45  1.00   0.02   0.02) =   0.002%
          HB3   SER   37 - QE    PHE   59  19.95 +/- 3.61   1.407% *  0.0709% (0.61  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QE    PHE   59  19.12 +/- 4.03   1.311% *  0.0481% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QE    PHE   59  21.50 +/- 2.75   0.945% *  0.0205% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 2 structures by 0.22 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.898, support = 0.859, residual support = 1.11:
          QE    LYS+ 112 - QE    PHE   59   6.58 +/- 2.16  30.530% * 66.5666% (1.00   1.05   1.07) =  65.009%  kept
          HB    VAL  107 - QE    PHE   59   5.88 +/- 2.52  38.024% * 24.7875% (0.80   0.49   0.43) =  30.149%  kept
          HB3   ASP-  62 - QE    PHE   59   6.20 +/- 1.40  25.485% *  5.7149% (0.14   0.66   6.06) =   4.659%  kept
          HB3   PHE   45 - QE    PHE   59  11.69 +/- 1.71   3.329% *  1.2704% (1.00   0.02   0.02) =   0.135%  kept
          HG2   GLU-  29 - QE    PHE   59  22.17 +/- 4.60   0.978% *  0.7723% (0.61   0.02   0.02) =   0.024%
          HB3   ASP-  86 - QE    PHE   59  18.54 +/- 2.46   0.815% *  0.5708% (0.45   0.02   0.02) =   0.015%
          QG    GLN   32 - QE    PHE   59  20.22 +/- 3.51   0.839% *  0.3175% (0.25   0.02   0.02) =   0.009%
    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 = 0.731, support = 4.15, residual support = 23.4:
          HG12  ILE  119 - QE    PHE   59   2.69 +/- 0.59  81.424% * 81.1524% (0.73   4.22  23.85) =  98.159%  kept
          HB3   PHE   72 - QE    PHE   59  11.05 +/- 4.06   9.723% *  7.8852% (1.00   0.30   0.02) =   1.139%  kept
          HB2   ASP-  44 - QE    PHE   59   8.62 +/- 2.23   5.229% *  8.8213% (0.99   0.34   0.02) =   0.685%  kept
          QG    GLU-  15 - QE    PHE   59  18.10 +/- 2.64   0.555% *  0.5013% (0.95   0.02   0.02) =   0.004%
          QG    GLN   90 - QE    PHE   59  17.02 +/- 1.22   0.524% *  0.5194% (0.98   0.02   0.02) =   0.004%
          QG    GLU-  14 - QE    PHE   59  18.68 +/- 3.23   0.423% *  0.5287% (1.00   0.02   0.02) =   0.003%
          HG3   MET   92 - QE    PHE   59  12.87 +/- 1.97   1.409% *  0.1321% (0.25   0.02   0.02) =   0.003%
          QB    MET   11 - QE    PHE   59  21.54 +/- 5.06   0.342% *  0.2788% (0.53   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   59  20.95 +/- 4.16   0.372% *  0.1808% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.71 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 = 0.705, support = 3.69, residual support = 19.8:
          HG13  ILE  119 - QE    PHE   59   3.15 +/- 0.85  50.620% * 63.0272% (0.73   4.20  23.85) =  82.780%  kept
          QG1   VAL  107 - QE    PHE   59   4.55 +/- 2.16  39.613% * 13.6017% (0.53   1.25   0.43) =  13.980%  kept
          HD3   LYS+ 112 - QE    PHE   59   7.25 +/- 1.95   5.473% * 22.5932% (0.95   1.16   1.07) =   3.208%  kept
          QG1   VAL   24 - QE    PHE   59  16.14 +/- 4.75   2.516% *  0.3587% (0.87   0.02   0.02) =   0.023%
          HB3   LEU   31 - QE    PHE   59  17.55 +/- 3.80   0.564% *  0.3160% (0.76   0.02   0.02) =   0.005%
          QB    ALA   20 - QE    PHE   59  13.63 +/- 3.06   1.215% *  0.1031% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.64 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 = 0.837, support = 2.66, residual support = 26.0:
        T QD2   LEU  115 - QE    PHE   59   3.00 +/- 0.85  51.341% * 81.8128% (0.87 10.00   2.88  28.54) =  91.232%  kept
        T QD1   LEU   63 - QE    PHE   59   5.77 +/- 2.61  25.486% * 11.7547% (0.53 10.00   0.47   0.02) =   6.507%  kept
        T QD1   LEU   73 - QE    PHE   59  11.43 +/- 4.22  19.157% *  5.3182% (0.53 10.00   0.21   0.02) =   2.213%  kept
        T QD1   LEU  104 - QE    PHE   59  10.31 +/- 3.14   2.276% *  0.9411% (1.00 10.00   0.02   0.02) =   0.047%
          QG1   VAL   83 - QE    PHE   59  14.61 +/- 1.87   0.498% *  0.0721% (0.76  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   59  15.57 +/- 2.31   0.419% *  0.0846% (0.90  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  12.13 +/- 1.32   0.822% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 2.84, residual support = 27.1:
          QD1   LEU  115 - QE    PHE   59   3.24 +/- 0.72  78.029% * 80.9781% (0.45   2.96  28.54) =  94.930%  kept
          QB    ALA   64 - QE    PHE   59   7.87 +/- 1.68  17.992% * 18.6823% (0.45   0.68   0.02) =   5.050%  kept
          QG1   VAL   75 - QE    PHE   59  10.44 +/- 1.86   3.979% *  0.3397% (0.28   0.02   0.02) =   0.020%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.18, residual support = 12.2:
          QG2   THR  118 - QE    PHE   59   3.17 +/- 1.56 100.000% *100.0000% (0.80   4.18  12.17) = 100.000%  kept
    Distance limit 5.01 A violated in 2 structures by 0.24 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.11, residual support = 72.7:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  92.716% * 99.6738% (0.99  10.0   1.11  72.70) =  99.993%  kept
          HN    LYS+  66 - QE    PHE   60   8.73 +/- 1.60   2.474% *  0.1380% (0.76   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - QE    PHE   60   8.16 +/- 1.88   4.468% *  0.0502% (0.28   1.0   0.02  20.10) =   0.002%
          HN    LYS+  81 - QE    PHE   60  16.84 +/- 3.80   0.343% *  0.1380% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 0.841, support = 1.26, residual support = 3.87:
          HB3   PHE   72 - QE    PHE   60   9.31 +/- 2.41  18.218% * 57.9153% (0.87   1.77   5.72) =  53.819%  kept
          HB2   ASP-  44 - QE    PHE   60   6.78 +/- 2.48  31.636% * 21.6547% (0.76   0.75   2.27) =  34.945%  kept
          HG12  ILE  119 - QE    PHE   60   9.86 +/- 1.55  11.749% * 17.3554% (0.98   0.47   0.02) =  10.401%  kept
          HG3   MET   92 - QE    PHE   60  12.94 +/- 3.79  10.271% *  0.4278% (0.57   0.02   0.02) =   0.224%  kept
          QG    GLU-  14 - QE    PHE   60  16.33 +/- 3.13   4.707% *  0.6050% (0.80   0.02   0.02) =   0.145%  kept
          HB2   GLU-  29 - QE    PHE   60  18.44 +/- 3.65   5.412% *  0.5190% (0.69   0.02   0.02) =   0.143%  kept
          QG    GLN   90 - QE    PHE   60  15.09 +/- 3.56   3.786% *  0.6975% (0.92   0.02   0.02) =   0.135%  kept
          QG    GLU-  15 - QE    PHE   60  16.49 +/- 3.47   4.020% *  0.4888% (0.65   0.02   0.02) =   0.100%  kept
          HB2   ASP- 105 - QE    PHE   60  13.09 +/- 2.95   7.027% *  0.1682% (0.22   0.02   0.02) =   0.060%
          QB    MET   11 - QE    PHE   60  18.94 +/- 3.97   3.174% *  0.1682% (0.22   0.02   0.02) =   0.027%
    Distance limit 5.40 A violated in 5 structures by 0.79 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.977, support = 1.27, residual support = 2.98:
          HB    VAL   42 - QE    PHE   60   9.12 +/- 2.54  14.593% * 56.6636% (1.00  1.00   1.68   4.03) =  67.040%  kept
          HB2   LYS+ 112 - QE    PHE   60  10.14 +/- 3.62  11.947% * 15.0139% (0.92  1.00   0.48   0.57) =  14.542%  kept
          HB3   LEU   73 - QE    PHE   60  10.00 +/- 2.98   9.203% * 16.4424% (0.98  1.00   0.50   1.55) =  12.268%  kept
          HG3   LYS+  65 - QE    PHE   60   9.24 +/- 2.55   8.498% *  6.8300% (1.00  1.00   0.20   0.02) =   4.705%  kept
          HG3   LYS+  33 - QE    PHE   60  17.22 +/- 3.48   5.327% *  0.6748% (1.00  1.00   0.02   0.02) =   0.291%  kept
          HB3   LYS+  74 - QE    PHE   60   8.58 +/- 3.70  19.157% *  0.1686% (0.25  1.00   0.02   0.02) =   0.262%  kept
        T QB    ALA   84 - QE    PHE   60  13.31 +/- 3.01   1.880% *  1.6863% (0.25 10.00   0.02   0.02) =   0.257%  kept
          HB3   PRO   93 - QE    PHE   60   9.06 +/- 3.76  15.266% *  0.1880% (0.28  1.00   0.02   0.02) =   0.233%  kept
          QB    LEU   98 - QE    PHE   60  12.54 +/- 2.23   4.376% *  0.3292% (0.49  1.00   0.02   0.02) =   0.117%  kept
          HG3   LYS+ 106 - QE    PHE   60  13.79 +/- 2.92   2.473% *  0.5649% (0.84  1.00   0.02   0.02) =   0.113%  kept
          QB    ALA   12 - QE    PHE   60  16.69 +/- 3.03   1.642% *  0.5168% (0.76  1.00   0.02   0.02) =   0.069%
          HG3   LYS+ 102 - QE    PHE   60  20.50 +/- 2.89   1.011% *  0.6526% (0.97  1.00   0.02   0.02) =   0.053%
          HG    LEU   98 - QE    PHE   60  14.38 +/- 2.75   2.908% *  0.1184% (0.18  1.00   0.02   0.02) =   0.028%
          HD3   LYS+ 121 - QE    PHE   60  15.48 +/- 2.03   1.719% *  0.1506% (0.22  1.00   0.02   0.02) =   0.021%
    Distance limit 5.42 A violated in 1 structures by 0.19 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.209, support = 1.3, residual support = 4.09:
        T QD1   ILE   56 - QE    PHE   60   5.83 +/- 2.37  76.836% * 92.1990% (0.20 10.00   1.32   4.15) =  98.377%  kept
          QD2   LEU  123 - QE    PHE   60  12.20 +/- 2.14  15.493% *  7.2890% (0.92  1.00   0.22   0.02) =   1.568%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.80 +/- 1.70   7.670% *  0.5119% (0.73  1.00   0.02   0.02) =   0.055%
    Distance limit 5.50 A violated in 7 structures by 1.16 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.664, support = 1.39, residual support = 2.9:
          QB    ALA   64 - QE    PHE   60   5.25 +/- 1.83  44.350% * 53.5631% (0.84   1.21   2.71) =  63.785%  kept
          QG1   VAL   42 - QE    PHE   60   6.77 +/- 2.07  30.023% * 36.0994% (0.34   2.00   4.03) =  29.101%  kept
          QB    ALA   47 - QE    PHE   60   8.67 +/- 3.26  25.627% * 10.3376% (0.45   0.44   0.02) =   7.113%  kept
    Distance limit 5.19 A violated in 0 structures by 0.09 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 2.23, residual support = 3.46:
          HB2   ASP-  44 - QD    PHE   60   5.95 +/- 2.39  37.347% * 40.5020% (0.87   1.97   2.27) =  57.205%  kept
          HB3   PHE   72 - QD    PHE   60   8.71 +/- 2.38  19.683% * 50.8133% (0.76   2.81   5.72) =  37.824%  kept
          HG12  ILE  119 - QD    PHE   60   8.30 +/- 1.10  18.116% *  6.9243% (0.34   0.86   0.02) =   4.744%  kept
          QG    GLU-  15 - QD    PHE   60  16.26 +/- 2.72   3.563% *  0.4482% (0.95   0.02   0.02) =   0.060%
          QG    GLU-  14 - QD    PHE   60  16.27 +/- 2.45   3.960% *  0.3958% (0.84   0.02   0.02) =   0.059%
          QG    GLN   90 - QD    PHE   60  15.36 +/- 3.11   2.859% *  0.3255% (0.69   0.02   0.02) =   0.035%
          HG2   MET   92 - QD    PHE   60  13.00 +/- 3.49  10.712% *  0.0830% (0.18   0.02   0.02) =   0.034%
          QB    MET   11 - QD    PHE   60  18.93 +/- 3.86   2.042% *  0.4250% (0.90   0.02   0.02) =   0.033%
          HG3   GLU-  36 - QD    PHE   60  21.27 +/- 2.60   1.718% *  0.0830% (0.18   0.02   0.02) =   0.005%
    Distance limit 5.47 A violated in 4 structures by 0.59 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.28, residual support = 90.3:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.134% * 99.8968% (0.87  10.0   3.28  90.29) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  11.07 +/- 1.90   1.202% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.47 +/- 1.33   0.665% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.684, support = 2.95, residual support = 4.88:
          QD    PHE   60 - QD    PHE   72   6.72 +/- 1.79  32.297% * 82.6829% (0.76   3.33   5.72) =  83.971%  kept
          HE3   TRP   27 - QD    PHE   72   7.06 +/- 2.04  32.807% *  7.8798% (0.25   0.97   0.12) =   8.129%  kept
          HN    LYS+  66 - QD    PHE   72   6.71 +/- 0.94  28.756% *  8.6640% (0.28   0.96   0.91) =   7.834%  kept
          HN    LYS+  81 - QD    PHE   72  15.18 +/- 1.51   2.556% *  0.6446% (0.99   0.02   0.02) =   0.052%
          QD    PHE   55 - QD    PHE   72  13.89 +/- 2.48   3.584% *  0.1287% (0.20   0.02   0.02) =   0.015%
    Distance limit 4.64 A violated in 2 structures by 0.63 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.572, support = 0.962, residual support = 9.54:
          HN    LEU   63 - QD    PHE   72   6.93 +/- 1.49  32.246% * 38.8689% (0.80   0.53  15.53) =  48.495%  kept
          QE    PHE   60 - QD    PHE   72   7.22 +/- 1.94  30.360% * 29.8971% (0.18   1.87   5.72) =  35.120%  kept
          HZ2   TRP   87 - QD    PHE   72  10.95 +/- 2.99  15.718% * 21.9199% (0.73   0.33   0.02) =  13.331%  kept
          HD21  ASN   28 - QD    PHE   72  11.82 +/- 1.97  10.060% *  6.9348% (0.90   0.08   0.02) =   2.699%  kept
          HN    ILE   56 - QD    PHE   72  13.80 +/- 1.92   3.823% *  1.2531% (0.69   0.02   0.02) =   0.185%  kept
          HN    ALA   84 - QD    PHE   72  14.02 +/- 1.40   5.062% *  0.5631% (0.31   0.02   0.02) =   0.110%  kept
          HN    LYS+ 111 - QD    PHE   72  16.41 +/- 2.16   2.731% *  0.5631% (0.31   0.02   0.02) =   0.059%
    Distance limit 5.36 A violated in 3 structures by 0.76 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 90.3:
          HN    PHE   72 - QD    PHE   72   2.32 +/- 0.60  98.468% * 99.8229% (0.98   5.60  90.29) =  99.997%  kept
          HN    LEU  104 - QD    PHE   72  11.14 +/- 1.01   1.532% *  0.1771% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.729, support = 2.1, residual support = 90.3:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  50.659% * 52.6465% (0.76  10.0 10.00   1.11  90.29) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.521% * 47.3200% (0.69  10.0 10.00   3.28  90.29) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   7.86 +/- 1.63   1.820% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.574, support = 1.3, residual support = 3.81:
          QD    PHE   60 - QE    PHE   72   6.03 +/- 1.72  36.397% * 58.3979% (0.76   1.22   5.72) =  61.270%  kept
          HN    LYS+  66 - QE    PHE   72   5.40 +/- 0.88  42.448% * 26.5896% (0.28   1.53   0.91) =  32.535%  kept
          HE3   TRP   27 - QE    PHE   72   8.27 +/- 2.06  15.640% * 13.5276% (0.25   0.87   0.12) =   6.099%  kept
          HN    LYS+  81 - QE    PHE   72  15.01 +/- 1.46   1.988% *  1.2378% (0.99   0.02   0.02) =   0.071%
          QD    PHE   55 - QE    PHE   72  13.20 +/- 2.08   3.526% *  0.2471% (0.20   0.02   0.02) =   0.025%
    Distance limit 4.86 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 = 1.11, residual support = 90.3:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  98.464% * 99.8416% (1.00  10.0   1.11  90.29) =  99.999%  kept
          HN    ALA   47 - HZ    PHE   72  12.98 +/- 2.83   1.032% *  0.1025% (0.57   1.0   0.02   0.02) =   0.001%
          HD22  ASN   28 - HZ    PHE   72  14.31 +/- 2.52   0.504% *  0.0559% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.65, residual support = 90.3:
          HA    PHE   72 - QD    PHE   72   3.59 +/- 0.23  93.278% * 99.8365% (0.90   4.65  90.29) =  99.988%  kept
          HA    MET   96 - QD    PHE   72   9.15 +/- 1.10   6.722% *  0.1635% (0.34   0.02   0.02) =   0.012%
    Distance limit 5.35 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 = 0.529, support = 0.02, residual support = 0.02:
          HA    THR   23 - QD    PHE   72  12.62 +/- 2.17  17.646% * 28.8048% (0.65   0.02   0.02) =  31.311%  kept
          HA    PHE   45 - QD    PHE   72   8.55 +/- 1.25  44.411% *  9.9133% (0.22   0.02   0.02) =  27.120%  kept
          HA    ASP-  78 - QD    PHE   72  14.43 +/- 0.87   9.686% * 41.1037% (0.92   0.02   0.02) =  24.525%  kept
          HA    LEU   80 - QD    PHE   72  13.63 +/- 1.94  12.299% * 12.3802% (0.28   0.02   0.02) =   9.379%  kept
          HB    THR   23 - QD    PHE   72  13.17 +/- 2.07  15.958% *  7.7981% (0.18   0.02   0.02) =   7.665%  kept
    Distance limit 5.31 A violated in 17 structures by 2.67 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.678, support = 3.62, residual support = 60.8:
        T HA    ALA   64 - QD    PHE   72   3.69 +/- 0.75  28.854% * 81.5836% (0.92   1.0 10.00   3.16  45.90) =  66.239%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.47 +/- 0.17  68.492% * 17.4900% (0.20  10.0 10.00   4.54  90.29) =  33.709%  kept
          QE    LYS+  66 - QD    PHE   72   9.22 +/- 1.58   2.089% *  0.8799% (0.25   1.0  1.00   0.80   0.91) =   0.052%
          HB3   ASN   35 - QD    PHE   72  13.94 +/- 1.89   0.565% *  0.0465% (0.53   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 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.83, residual support = 90.3:
      O T HB3   PHE   72 - QD    PHE   72   2.45 +/- 0.14  79.209% * 99.4111% (0.98  10.0 10.00   4.83  90.29) =  99.977%  kept
          HB2   ASP-  44 - QD    PHE   72   5.29 +/- 1.28  13.442% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.016%
          HG12  ILE  119 - QD    PHE   72  11.51 +/- 3.23   3.167% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLU-  15 - QD    PHE   72  12.69 +/- 3.58   1.154% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   72  12.91 +/- 2.40   0.798% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   72  13.14 +/- 2.32   0.744% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  15.52 +/- 1.45   0.357% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.08 +/- 3.31   0.656% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  15.51 +/- 2.04   0.472% *  0.0381% (0.38   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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.759, support = 1.81, residual support = 12.8:
        T HB    VAL   42 - QD    PHE   72   3.95 +/- 0.75  36.555% * 51.4392% (0.80 10.00   0.74   4.11) =  66.458%  kept
          HB3   LEU   73 - QD    PHE   72   5.04 +/- 0.87  21.401% * 29.3848% (0.73  1.00   4.66  44.33) =  22.226%  kept
          HB3   LYS+  74 - QD    PHE   72   5.56 +/- 1.79  22.777% * 13.0199% (0.57  1.00   2.65   1.79) =  10.481%  kept
          HG3   LYS+  65 - QD    PHE   72   8.08 +/- 1.15   4.965% *  4.2745% (0.80  1.00   0.61   0.02) =   0.750%  kept
          QB    LEU   98 - QD    PHE   72   8.18 +/- 1.42   4.959% *  0.1451% (0.84  1.00   0.02   0.02) =   0.025%
        T HB2   LYS+ 112 - QD    PHE   72  15.37 +/- 2.44   0.645% *  1.0534% (0.61 10.00   0.02   0.02) =   0.024%
          HG3   LYS+  33 - QD    PHE   72  11.00 +/- 2.27   2.902% *  0.1507% (0.87  1.00   0.02   0.02) =   0.015%
          QB    ALA   12 - QD    PHE   72  13.80 +/- 2.50   1.053% *  0.1721% (0.99  1.00   0.02   0.02) =   0.006%
          HB2   LEU   80 - QD    PHE   72  12.17 +/- 2.33   1.914% *  0.0652% (0.38  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - QD    PHE   72  11.89 +/- 1.49   1.446% *  0.0845% (0.49  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QD    PHE   72  14.48 +/- 3.57   0.882% *  0.0914% (0.53  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - QD    PHE   72  16.07 +/- 1.22   0.502% *  0.1193% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.464, support = 1.79, residual support = 23.7:
        T QD1   LEU   67 - QD    PHE   72   3.83 +/- 0.81  37.955% * 79.1117% (0.41 10.00   1.82  26.43) =  89.086%  kept
          HB    VAL   75 - QD    PHE   72   5.16 +/- 0.97  18.967% * 17.1015% (0.98  1.00   1.65   1.37) =   9.623%  kept
          HG3   LYS+  74 - QD    PHE   72   6.92 +/- 1.52  12.747% *  2.4266% (0.22  1.00   1.03   1.79) =   0.918%  kept
        T QD1   ILE  119 - QD    PHE   72   9.62 +/- 3.18   9.737% *  1.1143% (0.53 10.00   0.02   0.02) =   0.322%  kept
          QD2   LEU   40 - QD    PHE   72   5.83 +/- 0.92  15.280% *  0.0950% (0.45  1.00   0.02   0.02) =   0.043%
          QG2   ILE  103 - QD    PHE   72  10.27 +/- 0.94   2.201% *  0.0654% (0.31  1.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - QD    PHE   72  10.90 +/- 1.31   1.922% *  0.0528% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  12.42 +/- 1.02   1.191% *  0.0327% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 5.32 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 = 0.934, support = 6.52, residual support = 43.7:
          QD2   LEU   73 - QD    PHE   72   3.44 +/- 0.95  46.708% * 95.8872% (0.95   6.60  44.33) =  98.494%  kept
          QG1   VAL   43 - QD    PHE   72   5.30 +/- 1.19  20.474% *  2.3405% (0.15   0.99   0.02) =   1.054%  kept
          QG1   VAL   41 - QD    PHE   72   6.57 +/- 1.48  15.203% *  1.0500% (0.28   0.25   0.02) =   0.351%  kept
          HG    LEU   31 - QD    PHE   72   9.37 +/- 2.37  12.006% *  0.2564% (0.84   0.02   0.02) =   0.068%
          QD1   ILE   56 - QD    PHE   72  10.32 +/- 1.92   4.243% *  0.3043% (0.99   0.02   0.02) =   0.028%
          HG3   LYS+ 121 - QD    PHE   72  14.48 +/- 3.25   1.366% *  0.1615% (0.53   0.02   0.02) =   0.005%
    Distance limit 5.35 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 = 5.95, residual support = 45.9:
        T QB    ALA   64 - QD    PHE   72   2.85 +/- 0.48  94.876% * 99.9781% (0.80 10.00   5.95  45.90) =  99.999%  kept
          QD1   LEU  115 - QD    PHE   72   9.76 +/- 2.17   5.124% *  0.0219% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.59 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 = 3.74, residual support = 51.0:
        T QG2   VAL   70 - QD    PHE   72   2.15 +/- 0.44 100.000% *100.0000% (0.65 10.00   3.74  51.04) = 100.000%  kept
    Distance limit 5.07 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 = 0.381, support = 3.92, residual support = 45.3:
        T HA    ALA   64 - QE    PHE   72   2.69 +/- 0.62  86.832% * 90.6136% (0.38 10.00   3.97  45.90) =  98.565%  kept
          QE    LYS+  66 - QE    PHE   72   7.91 +/- 1.54  12.506% *  9.1471% (0.80  1.00   0.95   0.91) =   1.433%  kept
          HB3   ASN   35 - QE    PHE   72  15.13 +/- 1.98   0.662% *  0.2393% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 4.42 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 = 4.43, residual support = 50.8:
        T HB    VAL   70 - QE    PHE   72   2.70 +/- 0.76  71.271% * 97.4956% (0.99 10.00   4.45  51.04) =  99.581%  kept
          HB2   MET   96 - QE    PHE   72   8.10 +/- 2.07  18.982% *  1.3692% (0.84  1.00   0.33   0.02) =   0.372%  kept
        T QG    GLN   17 - QE    PHE   72  10.80 +/- 4.01   3.216% *  0.9493% (0.97 10.00   0.02   0.02) =   0.044%
          HB3   ASP-  76 - QE    PHE   72   9.92 +/- 1.11   2.273% *  0.0304% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  15.69 +/- 2.37   0.588% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   72  11.72 +/- 2.03   2.148% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  13.89 +/- 1.45   0.847% *  0.0369% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.16 +/- 1.39   0.675% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.473, support = 3.09, residual support = 24.4:
        T HB2   LEU   67 - QE    PHE   72   3.48 +/- 1.08  44.485% * 78.9579% (0.45 10.00   3.23  26.43) =  91.980%  kept
          HG2   PRO   68 - QE    PHE   72   7.11 +/- 1.58  13.781% * 11.1458% (0.80  1.00   1.58   0.59) =   4.022%  kept
          HB    ILE   19 - QE    PHE   72  10.18 +/- 4.36  16.135% *  8.9728% (0.73  1.00   1.40   1.04) =   3.791%  kept
          HB    VAL   18 - QE    PHE   72   9.90 +/- 6.03  18.630% *  0.3937% (0.22  1.00   0.20   0.89) =   0.192%  kept
          HB2   LEU  115 - QE    PHE   72  11.98 +/- 1.92   1.359% *  0.1471% (0.84  1.00   0.02   0.02) =   0.005%
          HG3   PRO   58 - QE    PHE   72  13.62 +/- 1.52   0.815% *  0.1528% (0.87  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QE    PHE   72  13.54 +/- 1.87   0.811% *  0.1139% (0.65  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QE    PHE   72  11.89 +/- 3.69   2.082% *  0.0308% (0.18  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QE    PHE   72  13.37 +/- 3.23   1.343% *  0.0308% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QE    PHE   72  15.86 +/- 2.39   0.559% *  0.0544% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.607, support = 2.31, residual support = 13.0:
          HB3   LEU   67 - QE    PHE   72   3.61 +/- 1.38  36.812% * 27.4502% (0.38   3.17  26.43) =  46.287%  kept
          HB3   LYS+  74 - QE    PHE   72   5.74 +/- 2.15  20.971% * 35.0280% (0.90   1.70   1.79) =  33.648%  kept
          HG12  ILE   19 - QE    PHE   72  10.44 +/- 5.09  12.172% * 24.7031% (0.84   1.28   1.04) =  13.773%  kept
          QG    LYS+  66 - QE    PHE   72   6.44 +/- 1.27  13.416% *  8.6023% (0.22   1.68   0.91) =   5.286%  kept
          QB    ALA   61 - QE    PHE   72   6.69 +/- 1.17   8.882% *  2.1768% (0.53   0.18   0.02) =   0.886%  kept
          QB    LEU   98 - QE    PHE   72   8.85 +/- 1.53   3.012% *  0.2981% (0.65   0.02   0.02) =   0.041%
          HB2   LEU   80 - QE    PHE   72  12.12 +/- 2.07   1.477% *  0.4567% (0.99   0.02   0.02) =   0.031%
          HG    LEU   80 - QE    PHE   72  12.34 +/- 2.60   1.415% *  0.3346% (0.73   0.02   0.02) =   0.022%
          HD3   LYS+ 121 - QE    PHE   72  14.46 +/- 3.23   0.628% *  0.4253% (0.92   0.02   0.02) =   0.012%
          QB    ALA  110 - QE    PHE   72  13.79 +/- 1.84   0.556% *  0.3521% (0.76   0.02   0.02) =   0.009%
          QB    ALA   12 - QE    PHE   72  14.33 +/- 2.93   0.660% *  0.1729% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.51 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 = 0.438, support = 3.93, residual support = 25.1:
        T QD1   LEU   67 - QE    PHE   72   2.62 +/- 0.65  51.504% * 83.9680% (0.41 10.00   4.09  26.43) =  94.618%  kept
          HB    VAL   75 - QE    PHE   72   4.69 +/- 0.95  16.658% * 13.2713% (0.98  1.00   1.33   1.37) =   4.837%  kept
          HG3   LYS+  74 - QE    PHE   72   6.63 +/- 2.03   8.463% *  1.4491% (0.22  1.00   0.64   1.79) =   0.268%  kept
        T QD1   ILE  119 - QE    PHE   72   9.19 +/- 2.91  10.818% *  1.0746% (0.53 10.00   0.02   0.02) =   0.254%  kept
          QD2   LEU   40 - QE    PHE   72   6.37 +/- 1.26   9.794% *  0.0916% (0.45  1.00   0.02   0.02) =   0.020%
          QG2   ILE  103 - QE    PHE   72  10.53 +/- 1.52   1.083% *  0.0630% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72  11.23 +/- 1.90   0.943% *  0.0509% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  12.19 +/- 1.61   0.735% *  0.0315% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.31 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 = 0.551, support = 4.23, residual support = 24.1:
          HB3   LEU   63 - QE    PHE   72   5.18 +/- 1.79  24.423% * 73.4250% (0.73   4.33  15.53) =  67.387%  kept
          QG1   VAL   70 - QE    PHE   72   3.25 +/- 0.85  36.677% * 19.3348% (0.18   4.73  51.04) =  26.648%  kept
          QG1   VAL   18 - QE    PHE   72   7.67 +/- 5.79  26.374% *  5.3774% (0.25   0.92   0.89) =   5.329%  kept
          QD1   LEU   40 - QE    PHE   72   5.17 +/- 0.98  11.864% *  1.3999% (0.31   0.19   0.02) =   0.624%  kept
          QG1   VAL  108 - QE    PHE   72  13.45 +/- 1.54   0.662% *  0.4629% (0.99   0.02   0.02) =   0.012%
    Distance limit 4.50 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 = 3.55, residual support = 22.0:
          QD2   LEU   63 - QE    PHE   72   4.01 +/- 1.17  37.723% * 29.7558% (0.69   3.95  15.53) =  43.620%  kept
          QD1   LEU   63 - QE    PHE   72   4.77 +/- 1.05  24.283% * 35.6910% (0.98   3.32  15.53) =  33.679%  kept
          QD1   LEU   73 - QE    PHE   72   6.13 +/- 1.17  17.106% * 33.9674% (0.98   3.16  44.33) =  22.579%  kept
          QG2   VAL   41 - QE    PHE   72   7.01 +/- 1.23   7.805% *  0.1773% (0.18   0.09   0.02) =   0.054%
          QD2   LEU  115 - QE    PHE   72   9.97 +/- 2.08   4.636% *  0.1594% (0.73   0.02   0.02) =   0.029%
          QD2   LEU   80 - QE    PHE   72  10.19 +/- 2.15   3.459% *  0.1508% (0.69   0.02   0.02) =   0.020%
          QD1   LEU  104 - QE    PHE   72   9.19 +/- 1.66   4.987% *  0.0984% (0.45   0.02   0.02) =   0.019%
    Distance limit 4.96 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 = 5.04, residual support = 45.4:
          QB    ALA   64 - QE    PHE   72   2.62 +/- 0.60  64.524% * 97.3521% (0.69   5.10  45.90) =  98.835%  kept
          QG1   VAL   42 - QE    PHE   72   4.01 +/- 1.51  33.375% *  2.2009% (0.49   0.16   4.11) =   1.156%  kept
          QB    ALA   47 - QE    PHE   72  10.96 +/- 1.72   1.568% *  0.3371% (0.61   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - QE    PHE   72  14.43 +/- 2.63   0.533% *  0.1100% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.89 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 = 5.37, residual support = 51.0:
        T QG2   VAL   70 - QE    PHE   72   2.82 +/- 0.53 100.000% *100.0000% (0.90 10.00   5.37  51.04) = 100.000%  kept
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.645, support = 3.13, residual support = 45.3:
        T HA    ALA   64 - HZ    PHE   72   3.27 +/- 1.15  80.683% * 94.5378% (0.65 10.00   3.15  45.90) =  98.730%  kept
          QE    LYS+  66 - HZ    PHE   72   8.51 +/- 1.91  18.355% *  5.3401% (0.53  1.00   1.39   0.91) =   1.269%  kept
          HB3   ASN   35 - HZ    PHE   72  17.75 +/- 2.41   0.963% *  0.1221% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 5.34 A violated in 0 structures by 0.07 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.922, support = 3.27, residual support = 50.6:
        T HB    VAL   70 - HZ    PHE   72   4.59 +/- 0.93  62.226% * 95.3026% (0.92 10.00   3.30  51.04) =  99.164%  kept
        T QG    GLN   17 - HZ    PHE   72  12.72 +/- 4.59   9.165% *  3.9965% (0.97 10.00   0.08   0.02) =   0.612%  kept
        T HB2   MET   96 - HZ    PHE   72   9.53 +/- 2.62  24.235% *  0.5432% (0.53 10.00   0.02   0.02) =   0.220%  kept
          HB2   GLU-  25 - HZ    PHE   72  18.36 +/- 2.92   1.304% *  0.1030% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  16.72 +/- 1.85   1.350% *  0.0387% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  16.33 +/- 1.64   1.720% *  0.0159% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.475, support = 2.86, residual support = 24.1:
        T HB2   LEU   67 - HZ    PHE   72   4.77 +/- 1.27  40.793% * 77.8427% (0.45 10.00   3.00  26.43) =  90.809%  kept
          HG2   PRO   68 - HZ    PHE   72   8.33 +/- 2.14  16.393% * 10.4299% (0.80  1.00   1.50   0.59) =   4.889%  kept
          HB    ILE   19 - HZ    PHE   72  12.28 +/- 4.91  13.119% * 10.0165% (0.73  1.00   1.59   1.04) =   3.758%  kept
          HB    VAL   18 - HZ    PHE   72  11.85 +/- 6.77  15.943% *  1.0970% (0.22  1.00   0.57   0.89) =   0.500%  kept
          HB2   LEU  115 - HZ    PHE   72  13.22 +/- 2.23   3.529% *  0.1450% (0.84  1.00   0.02   0.02) =   0.015%
          HB2   GLN   17 - HZ    PHE   72  14.06 +/- 4.20   2.726% *  0.1220% (0.18  1.00   0.08   0.02) =   0.010%
          HG3   PRO   58 - HZ    PHE   72  15.05 +/- 1.91   2.059% *  0.1506% (0.87  1.00   0.02   0.02) =   0.009%
          QB    GLU- 114 - HZ    PHE   72  15.03 +/- 2.23   2.428% *  0.1123% (0.65  1.00   0.02   0.02) =   0.008%
          QB    GLU-  15 - HZ    PHE   72  15.66 +/- 3.65   2.202% *  0.0304% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HZ    PHE   72  18.57 +/- 2.90   0.809% *  0.0536% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 5.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 2.15, residual support = 13.6:
          HB3   LEU   67 - HZ    PHE   72   4.70 +/- 1.36  35.800% * 27.6158% (0.38   2.89  26.43) =  48.706%  kept
          HB3   LYS+  74 - HZ    PHE   72   7.41 +/- 2.55  15.402% * 37.4534% (0.90   1.64   1.79) =  28.419%  kept
          HG12  ILE   19 - HZ    PHE   72  12.57 +/- 5.69  13.832% * 28.1250% (0.84   1.32   1.04) =  19.166%  kept
          QG    LYS+  66 - HZ    PHE   72   6.93 +/- 1.62  16.180% *  4.2843% (0.22   0.76   0.91) =   3.415%  kept
          QB    ALA   61 - HZ    PHE   72   7.60 +/- 1.19   9.294% *  0.2678% (0.53   0.02   0.02) =   0.123%  kept
          QB    LEU   98 - HZ    PHE   72  10.43 +/- 1.99   3.849% *  0.3293% (0.65   0.02   0.02) =   0.062%
          HB2   LEU   80 - HZ    PHE   72  14.25 +/- 2.17   1.389% *  0.5046% (0.99   0.02   0.02) =   0.035%
          HG    LEU   80 - HZ    PHE   72  14.54 +/- 2.68   1.343% *  0.3697% (0.73   0.02   0.02) =   0.024%
          HD3   LYS+ 121 - HZ    PHE   72  16.40 +/- 3.64   0.978% *  0.4700% (0.92   0.02   0.02) =   0.023%
          QB    ALA  110 - HZ    PHE   72  15.38 +/- 2.31   1.002% *  0.3891% (0.76   0.02   0.02) =   0.019%
          QB    ALA   12 - HZ    PHE   72  16.59 +/- 3.54   0.932% *  0.1911% (0.38   0.02   0.02) =   0.009%
    Distance limit 4.89 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 = 0.522, support = 3.04, residual support = 21.4:
        T QD1   LEU   67 - HZ    PHE   72   3.35 +/- 0.85  54.838% * 39.1984% (0.41 10.00   3.49  26.43) =  80.009%  kept
        T HB    VAL   75 - HZ    PHE   72   6.51 +/- 0.78   8.780% * 59.5652% (0.98 10.00   1.27   1.37) =  19.466%  kept
        T QD1   ILE  119 - HZ    PHE   72  10.20 +/- 3.23  16.595% *  0.5016% (0.53 10.00   0.02   0.02) =   0.310%  kept
          HG3   LYS+  74 - HZ    PHE   72   8.10 +/- 2.63   8.660% *  0.6241% (0.22  1.00   0.59   1.79) =   0.201%  kept
          QD2   LEU   40 - HZ    PHE   72   7.93 +/- 1.44   6.819% *  0.0427% (0.45  1.00   0.02   0.02) =   0.011%
          QG2   ILE  103 - HZ    PHE   72  12.05 +/- 2.23   1.744% *  0.0294% (0.31  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HZ    PHE   72  13.00 +/- 2.63   1.337% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  13.74 +/- 2.27   1.226% *  0.0147% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.761, support = 3.02, residual support = 26.5:
        T HB3   LEU   63 - HZ    PHE   72   5.80 +/- 2.13  30.356% * 69.0594% (0.95 10.00   3.17  15.53) =  67.497%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.66 +/- 1.05  35.508% * 27.3994% (0.38 10.00   2.78  51.04) =  31.324%  kept
          QG1   VAL   18 - HZ    PHE   72   9.33 +/- 6.44  27.079% *  0.9553% (0.49  1.00   0.54   0.89) =   0.833%  kept
          QD1   LEU   71 - HZ    PHE   72   9.15 +/- 1.01   4.249% *  2.5104% (0.20  1.00   3.48  20.24) =   0.343%  kept
          QG1   VAL  108 - HZ    PHE   72  15.13 +/- 2.17   1.082% *  0.0610% (0.84  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HZ    PHE   72  13.76 +/- 3.23   1.726% *  0.0144% (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 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.883, support = 2.57, residual support = 22.6:
          QD1   LEU   63 - HZ    PHE   72   5.44 +/- 1.76  26.911% * 39.9822% (0.98   2.83  15.53) =  42.610%  kept
          QD2   LEU   63 - HZ    PHE   72   4.58 +/- 1.57  37.435% * 21.8445% (0.69   2.21  15.53) =  32.384%  kept
          QD1   LEU   73 - HZ    PHE   72   7.83 +/- 1.27  16.875% * 37.0732% (0.98   2.63  44.33) =  24.775%  kept
          QG2   VAL   41 - HZ    PHE   72   8.41 +/- 1.50   6.446% *  0.5641% (0.18   0.22   0.02) =   0.144%  kept
          QD2   LEU  115 - HZ    PHE   72  11.01 +/- 2.27   4.909% *  0.2091% (0.73   0.02   0.02) =   0.041%
          QD2   LEU   80 - HZ    PHE   72  12.04 +/- 2.25   3.539% *  0.1978% (0.69   0.02   0.02) =   0.028%
          QD1   LEU  104 - HZ    PHE   72  10.81 +/- 2.12   3.884% *  0.1291% (0.45   0.02   0.02) =   0.020%
    Distance limit 5.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.64, residual support = 51.0:
        T QG2   VAL   70 - HZ    PHE   72   4.35 +/- 0.43 100.000% *100.0000% (0.90 10.00   4.64  51.04) = 100.000%  kept
    Distance limit 5.33 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  74.42) = 100.000%  kept
    Distance limit 4.09 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  99.702% * 99.9913% (0.98  10.0   1.00  74.42) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  20.20 +/- 1.52   0.298% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.01, residual support = 74.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  97.677% * 99.8601% (0.98  10.0 10.00   1.01  74.42) =  99.998%  kept
          QD    PHE   97 - HE3   TRP   87  11.44 +/- 3.67   1.858% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HE3   TRP   87  19.48 +/- 4.01   0.465% *  0.0382% (0.38   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 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  96.709% * 99.5607% (0.99  10.0   1.00  74.42) =  99.995%  kept
          HD21  ASN   28 - HH2   TRP   87  14.73 +/- 6.23   1.739% *  0.1969% (0.98   1.0   0.02   0.02) =   0.004%
          QE    PHE   60 - HH2   TRP   87  14.87 +/- 3.62   0.994% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HH2   TRP   87  17.45 +/- 3.14   0.369% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  20.92 +/- 1.95   0.188% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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  89.649% * 99.7330% (0.90  10.0   1.00  74.42) =  99.999%  kept
          HN    HIS  122 - HZ2   TRP   87  22.51 +/- 4.71   0.192% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    ILE   56   5.83 +/- 0.61   8.118% *  0.0027% (0.01   1.0   0.02  20.12) =   0.000%
          HN    HIS  122 - HN    ILE   56  14.39 +/- 3.48   1.664% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  19.88 +/- 2.24   0.202% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  20.92 +/- 1.95   0.175% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.856, support = 0.74, residual support = 5.51:
          HZ2   TRP   27 - HZ2   TRP   87   9.63 +/- 7.89  46.490% * 96.7253% (0.87   0.75   5.60) =  98.384%  kept
          HZ    PHE   72 - HZ2   TRP   87  13.24 +/- 3.16  23.051% *  3.1429% (0.15   0.14   0.02) =   1.585%  kept
          HZ2   TRP   27 - HN    ILE   56  20.90 +/- 2.85   8.869% *  0.1119% (0.04   0.02   0.02) =   0.022%
          HZ    PHE   72 - HN    ILE   56  14.27 +/- 1.43  21.590% *  0.0199% (0.01   0.02   0.02) =   0.009%
    Distance limit 4.76 A violated in 10 structures by 3.82 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.747, support = 0.02, residual support = 0.02:
          HD1   TRP   49 - HZ3   TRP   87  18.09 +/- 4.26  15.275% * 22.0041% (0.99   0.02   0.02) =  23.512%  kept
          QE    PHE   95 - HZ3   TRP   87  13.02 +/- 1.91  27.807% * 10.8062% (0.49   0.02   0.02) =  21.020%  kept
          HN    LEU   67 - HZ3   TRP   87  18.32 +/- 4.15  14.033% * 19.9101% (0.90   0.02   0.02) =  19.545%  kept
          HD2   HIS   22 - HZ3   TRP   87  21.00 +/- 5.49   9.754% * 20.4937% (0.92   0.02   0.02) =  13.984%  kept
          HN    THR   23 - HZ3   TRP   87  19.07 +/- 5.14  12.278% * 11.6802% (0.53   0.02   0.02) =  10.032%  kept
          HD21  ASN   35 - HZ3   TRP   87  20.26 +/- 5.41  11.968% * 11.6802% (0.53   0.02   0.02) =   9.779%  kept
          QD    PHE   55 - HZ3   TRP   87  19.49 +/- 3.11   8.885% *  3.4254% (0.15   0.02   0.02) =   2.129%  kept
    Distance limit 4.16 A violated in 20 structures by 6.98 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.72, residual support = 22.7:
          HN    ASP-  86 - HD1   TRP   87   3.88 +/- 0.19  94.769% * 97.7117% (0.38   3.72  22.70) =  99.958%  kept
          HN    GLU-  29 - HD1   TRP   87  19.00 +/- 6.19   1.667% *  1.1203% (0.80   0.02   0.02) =   0.020%
          HN    VAL   18 - HD1   TRP   87  22.52 +/- 7.43   1.662% *  0.7361% (0.53   0.02   0.02) =   0.013%
          HN    GLN   30 - HD1   TRP   87  18.19 +/- 5.93   1.902% *  0.4318% (0.31   0.02   0.02) =   0.009%
    Distance limit 5.28 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   9.85 +/- 6.06 100.000% *100.0000% (0.80   0.75   1.70) = 100.000%  kept
    Distance limit 5.43 A violated in 9 structures by 4.72 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.557, support = 1.47, residual support = 3.06:
          QD2   LEU   98 - HH2   TRP   87   6.55 +/- 5.34  31.710% * 53.2908% (0.53  1.00   1.87   4.24) =  71.039%  kept
          QG2   VAL   41 - HH2   TRP   87   8.20 +/- 4.73  18.229% * 23.8360% (0.73  1.00   0.61   0.26) =  18.266%  kept
          QD1   LEU   73 - HH2   TRP   87  10.32 +/- 3.83  14.149% *  9.4289% (0.45  1.00   0.39   0.02) =   5.608%  kept
          QD1   LEU   80 - HH2   TRP   87   9.45 +/- 2.14  10.178% *  9.8292% (0.53  1.00   0.34   0.02) =   4.205%  kept
        T QD2   LEU  115 - HH2   TRP   87  15.54 +/- 2.82   5.833% *  1.8989% (0.18 10.00   0.02   0.02) =   0.466%  kept
          QD2   LEU   63 - HH2   TRP   87  13.53 +/- 3.50   5.938% *  1.0628% (0.98  1.00   0.02   0.02) =   0.265%  kept
          QD1   LEU   63 - HH2   TRP   87  13.43 +/- 3.22   3.918% *  0.4861% (0.45  1.00   0.02   0.02) =   0.080%
          QD2   LEU   80 - HH2   TRP   87   9.62 +/- 1.74  10.047% *  0.1673% (0.15  1.00   0.02   0.02) =   0.071%
    Distance limit 5.27 A violated in 3 structures by 0.66 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 1.98, residual support = 4.22:
          QD1   LEU   98 - HH2   TRP   87   6.65 +/- 5.93  48.316% * 97.7906% (0.76   1.99   4.24) =  99.415%  kept
          QD2   LEU  104 - HH2   TRP   87  11.16 +/- 5.25  16.432% *  0.9345% (0.73   0.02   0.02) =   0.323%  kept
          QG2   THR   46 - HH2   TRP   87  11.76 +/- 2.35  25.995% *  0.3209% (0.25   0.02   0.02) =   0.176%  kept
          QD1   ILE   19 - HH2   TRP   87  16.06 +/- 5.90   3.994% *  0.7286% (0.57   0.02   0.02) =   0.061%
          QG2   VAL   18 - HH2   TRP   87  16.86 +/- 6.31   5.263% *  0.2254% (0.18   0.02   0.02) =   0.025%
    Distance limit 4.78 A violated in 5 structures by 1.26 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   3.55 +/- 0.13  96.643% * 99.8092% (0.80 10.00   3.53  74.42) =  99.998%  kept
          HA    PHE   59 - HE3   TRP   87  19.11 +/- 3.11   0.860% *  0.1203% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HE3   TRP   87  15.01 +/- 3.96   1.925% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  21.15 +/- 2.76   0.572% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.43 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  99.486% * 99.0099% (1.00  10.0 10.00   3.22  74.42) =  99.995%  kept
        T HB2   PHE   60 - HE3   TRP   87  16.91 +/- 3.31   0.514% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 5.15 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 = 0.938, support = 1.0, residual support = 4.39:
        T QD1   ILE  103 - HE3   TRP   87   6.92 +/- 4.93  41.156% * 97.0204% (0.95 10.00   1.01   4.39) =  98.798%  kept
          QG2   ILE  103 - HE3   TRP   87   8.47 +/- 4.51  18.425% *  2.4467% (0.28  1.00   0.86   4.39) =   1.115%  kept
          HG3   LYS+  74 - HE3   TRP   87  15.30 +/- 4.37  16.685% *  0.0765% (0.38  1.00   0.02   0.02) =   0.032%
          QD2   LEU   71 - HE3   TRP   87  15.33 +/- 3.11   5.896% *  0.1767% (0.87  1.00   0.02   0.02) =   0.026%
          QG2   ILE  119 - HE3   TRP   87  18.63 +/- 2.95   2.870% *  0.2037% (1.00  1.00   0.02   0.02) =   0.014%
          QD1   LEU   67 - HE3   TRP   87  14.07 +/- 3.18   9.930% *  0.0403% (0.20  1.00   0.02   0.02) =   0.010%
          QD2   LEU   40 - HE3   TRP   87  12.50 +/- 2.82   5.037% *  0.0357% (0.18  1.00   0.02   0.02) =   0.004%
    Distance limit 5.35 A violated in 4 structures by 2.02 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   4.22 +/- 0.24  96.019% * 99.1112% (0.80   4.26  74.42) =  99.990%  kept
          HA    PHE   59 - HD1   TRP   87  19.70 +/- 1.95   1.096% *  0.5605% (0.97   0.02   0.02) =   0.006%
          HA    LYS+  99 - HD1   TRP   87  16.99 +/- 3.46   2.133% *  0.0896% (0.15   0.02   0.02) =   0.002%
          HA    ASP- 113 - HD1   TRP   87  21.93 +/- 1.78   0.753% *  0.2388% (0.41   0.02   0.02) =   0.002%
    Distance limit 5.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.31, residual support = 17.3:
        T HA    VAL   83 - HD1   TRP   87   3.79 +/- 0.53  93.326% * 95.9068% (0.41 10.00   4.31  17.35) =  99.930%  kept
        T HA    VAL   24 - HD1   TRP   87  15.10 +/- 6.42   4.013% *  0.8755% (0.38 10.00   0.02   0.02) =   0.039%
        T HA    LYS+  38 - HD1   TRP   87  21.62 +/- 3.49   0.655% *  2.0922% (0.90 10.00   0.02   0.02) =   0.015%
        T HA    GLU- 100 - HD1   TRP   87  18.77 +/- 3.85   1.277% *  1.0459% (0.45 10.00   0.02   0.02) =   0.015%
          HD2   PRO   58 - HD1   TRP   87  21.55 +/- 2.89   0.729% *  0.0796% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 74.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.90 +/- 0.01  98.404% * 99.0099% (1.00  10.0  1.00   3.94  74.42) =  99.984%  kept
        T HB2   PHE   60 - HD1   TRP   87  16.80 +/- 2.95   1.596% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.016%
    Distance limit 5.19 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   2.90 +/- 0.40  93.686% * 98.2033% (1.00 10.00   3.60  22.70) =  99.987%  kept
        T HB2   ASN   28 - HD1   TRP   87  18.41 +/- 6.51   0.897% *  0.8221% (0.84 10.00   0.02   0.02) =   0.008%
        T HB2   ASN   35 - HD1   TRP   87  22.08 +/- 4.84   0.340% *  0.7881% (0.80 10.00   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HD1   TRP   87  11.49 +/- 1.48   3.971% *  0.0219% (0.22  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD1   TRP   87  19.26 +/- 4.52   0.703% *  0.0931% (0.95  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD1   TRP   87  20.32 +/- 4.18   0.402% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 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   2.86 +/- 0.04  94.970% * 99.2543% (0.25  10.0   3.81  74.42) =  99.989%  kept
          HG3   MET   96 - HD1   TRP   87   9.96 +/- 3.70   4.221% *  0.2254% (0.57   1.0   0.02   0.02) =   0.010%
          HG2   GLU-  36 - HD1   TRP   87  24.69 +/- 3.79   0.180% *  0.3187% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HD1   TRP   87  19.71 +/- 2.86   0.417% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  23.02 +/- 2.49   0.212% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.882, support = 3.71, residual support = 17.3:
        T QG2   VAL   83 - HD1   TRP   87   2.33 +/- 0.49  64.269% * 87.8883% (0.90 10.00   3.71  17.35) =  94.074%  kept
          QD1   ILE   89 - HD1   TRP   87   4.05 +/- 1.34  29.619% * 12.0058% (0.65  1.00   3.79  17.05) =   5.922%  kept
          QD2   LEU   31 - HD1   TRP   87  12.59 +/- 5.20   1.324% *  0.0927% (0.95  1.00   0.02   1.70) =   0.002%
          QG2   VAL   43 - HD1   TRP   87   7.06 +/- 2.37   4.787% *  0.0133% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.911, support = 0.958, residual support = 17.1:
        T QG2   ILE   89 - HD1   TRP   87   4.38 +/- 0.19  40.590% * 88.0625% (0.95 10.00   0.85  17.05) =  83.940%  kept
          QG1   VAL   83 - HD1   TRP   87   3.84 +/- 0.63  57.572% * 11.8768% (0.73  1.00   1.50  17.35) =  16.057%  kept
          QD1   LEU  104 - HD1   TRP   87  14.84 +/- 3.35   1.838% *  0.0606% (0.28  1.00   0.02   0.02) =   0.003%
    Distance limit 5.34 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 = 0.572, support = 0.629, residual support = 2.68:
          QD2   LEU   98 - HZ2   TRP   87   7.19 +/- 5.21  21.477% * 44.9024% (0.53   0.75   4.24) =  61.078%  kept
          QG2   VAL   41 - HZ2   TRP   87   8.58 +/- 4.54  12.902% * 38.1034% (0.73   0.46   0.26) =  31.136%  kept
          QD1   LEU   73 - HZ2   TRP   87   9.61 +/- 3.90   7.544% *  6.2218% (0.45   0.12   0.02) =   2.973%  kept
          QD2   LEU   80 - HZ2   TRP   87   7.63 +/- 1.76   8.260% *  4.2787% (0.15   0.24   0.02) =   2.239%  kept
          QD2   LEU  115 - HN    ILE   56   6.14 +/- 1.39  15.046% *  1.2702% (0.01   1.47   0.12) =   1.210%  kept
          QD1   LEU   80 - HZ2   TRP   87   7.46 +/- 2.13  10.586% *  1.1974% (0.53   0.02   0.02) =   0.803%  kept
          QD2   LEU   63 - HZ2   TRP   87  13.60 +/- 3.08   2.274% *  2.2308% (0.98   0.02   0.02) =   0.321%  kept
          QD1   LEU   63 - HZ2   TRP   87  13.49 +/- 3.03   1.937% *  1.0204% (0.45   0.02   0.02) =   0.125%  kept
          QD2   LEU  115 - HZ2   TRP   87  15.65 +/- 2.46   1.878% *  0.3986% (0.18   0.02   0.02) =   0.047%
          QD2   LEU   63 - HN    ILE   56  10.45 +/- 2.26   5.524% *  0.0968% (0.04   0.02   0.02) =   0.034%
          QD1   LEU   63 - HN    ILE   56   9.32 +/- 1.83   6.426% *  0.0443% (0.02   0.02   0.02) =   0.018%
          QD1   LEU   73 - HN    ILE   56  14.85 +/- 4.22   2.237% *  0.0443% (0.02   0.02   0.02) =   0.006%
          QD1   LEU   80 - HN    ILE   56  17.69 +/- 3.09   1.264% *  0.0520% (0.02   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    ILE   56  17.57 +/- 1.48   0.531% *  0.0717% (0.03   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    ILE   56  17.55 +/- 1.97   0.544% *  0.0520% (0.02   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    ILE   56  17.78 +/- 2.85   1.569% *  0.0152% (0.01   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.10 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.189, support = 0.663, residual support = 1.5:
          QD1   LEU   31 - HZ2   TRP   87   9.62 +/- 6.39  28.805% * 92.4210% (0.15   0.75   1.70) =  88.030%  kept
          QG2   VAL   43 - HZ2   TRP   87   5.96 +/- 3.75  49.828% *  7.1612% (0.45   0.02   0.02) =  11.799%  kept
          QG2   VAL   43 - HN    ILE   56  14.29 +/- 1.98  14.123% *  0.3108% (0.02   0.02   0.02) =   0.145%  kept
          QD1   LEU   31 - HN    ILE   56  19.15 +/- 2.71   7.245% *  0.1070% (0.01   0.02   0.02) =   0.026%
    Distance limit 5.24 A violated in 5 structures by 1.15 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 = 2.64, residual support = 58.9:
          HA    TRP   49 - HE3   TRP   49   4.28 +/- 0.64  46.058% * 51.9015% (0.69   3.20  92.42) =  61.350%  kept
          HA    CYS   50 - HE3   TRP   49   4.78 +/- 1.11  37.864% * 37.5314% (0.87   1.83   5.25) =  36.471%  kept
          HA    ALA   47 - HE3   TRP   49   7.74 +/- 1.29   8.645% *  9.5443% (0.76   0.53  15.59) =   2.117%  kept
          HA1   GLY  109 - HE3   TRP   49  15.62 +/- 4.56   4.037% *  0.3943% (0.84   0.02   0.02) =   0.041%
          HA    VAL  108 - HE3   TRP   49  15.68 +/- 3.55   2.039% *  0.3054% (0.65   0.02   0.02) =   0.016%
          HA    CYS   21 - HE3   TRP   49  22.94 +/- 5.88   0.678% *  0.2298% (0.49   0.02   0.02) =   0.004%
          HA    LYS+ 102 - HE3   TRP   49  27.75 +/- 4.50   0.679% *  0.0934% (0.20   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 4.4, residual support = 91.8:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  78.038% * 95.7578% (1.00   4.42  92.42) =  99.354%  kept
          QE    PHE   95 - HE3   TRP   49  11.66 +/- 2.74  15.459% *  3.0099% (0.38   0.37   0.02) =   0.619%  kept
          HN    LEU   67 - HE3   TRP   49  20.40 +/- 4.50   2.516% *  0.3476% (0.80   0.02   0.02) =   0.012%
          HD2   HIS   22 - HE3   TRP   49  22.76 +/- 5.90   1.857% *  0.4254% (0.98   0.02   0.02) =   0.011%
          HN    THR   23 - HE3   TRP   49  22.73 +/- 5.30   1.816% *  0.1784% (0.41   0.02   0.02) =   0.004%
          HD21  ASN   35 - HE3   TRP   49  33.72 +/- 3.85   0.315% *  0.2808% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.42 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.832, support = 3.39, residual support = 90.8:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  41.664% * 94.8344% (0.84   3.45  92.42) =  98.255%  kept
          QE    PHE   95 - HH2   TRP   49  10.02 +/- 3.05  20.088% *  2.9383% (0.76   0.12   0.02) =   1.468%  kept
          QD    PHE   55 - HH2   TRP   49   8.17 +/- 2.06  28.031% *  0.2245% (0.34   0.02   0.02) =   0.156%  kept
          HN    LEU   67 - HH2   TRP   49  19.83 +/- 4.05   3.469% *  0.6580% (1.00   0.02   0.02) =   0.057%
          HN    THR   23 - HH2   TRP   49  22.26 +/- 4.97   2.444% *  0.5269% (0.80   0.02   0.02) =   0.032%
          HD2   HIS   22 - HH2   TRP   49  22.37 +/- 5.16   1.903% *  0.4520% (0.69   0.02   0.02) =   0.021%
          HE3   TRP   27 - HH2   TRP   49  21.40 +/- 3.77   1.885% *  0.1830% (0.28   0.02   0.02) =   0.009%
          HD21  ASN   35 - HH2   TRP   49  32.24 +/- 4.55   0.516% *  0.1830% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.53 A violated in 13 structures by 1.44 A, kept.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.739, support = 4.42, residual support = 61.0:
          HA    TRP   49 - HD1   TRP   49   4.12 +/- 0.69  37.473% * 45.5020% (0.69   5.35  92.42) =  62.281%  kept
          HA    CYS   50 - HD1   TRP   49   5.98 +/- 0.99  15.113% * 41.9646% (0.87   3.91   5.25) =  23.166%  kept
          HA    ALA   47 - HD1   TRP   49   4.72 +/- 1.18  32.980% * 11.9970% (0.76   1.27  15.59) =  14.452%  kept
          HA1   GLY  109 - HD1   TRP   49  14.92 +/- 5.22  11.572% *  0.2068% (0.84   0.02   0.02) =   0.087%
          HA    VAL  108 - HD1   TRP   49  14.39 +/- 4.10   1.957% *  0.1601% (0.65   0.02   0.02) =   0.011%
          HA    CYS   21 - HD1   TRP   49  21.70 +/- 6.70   0.551% *  0.1205% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HD1   TRP   49  25.67 +/- 3.99   0.353% *  0.0490% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.69, 7.13, 121.44 ppm):
    2 chemical-shift based assignments, quality = 0.458, support = 0.734, residual support = 4.17:
          QD1   LEU   98 - HZ3   TRP   87   7.14 +/- 5.32  76.199% * 94.4132% (0.45   0.75   4.24) =  98.185%  kept
          QG2   ILE   19 - HZ3   TRP   87  17.08 +/- 4.96  23.801% *  5.5868% (0.99   0.02   0.02) =   1.815%  kept
    Distance limit 5.50 A violated in 6 structures by 2.17 A, kept.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 2.05, residual support = 4.36:
          QD1   ILE  103 - HZ3   TRP   87   5.92 +/- 5.82  43.683% * 44.0984% (0.65   2.16   4.39) =  74.858%  kept
          QG2   ILE  103 - HZ3   TRP   87   7.74 +/- 5.28  11.762% * 53.2749% (0.95   1.78   4.39) =  24.350%  kept
          HG3   LYS+  74 - HZ3   TRP   87  15.22 +/- 4.84  16.154% *  0.6265% (0.99   0.02   0.02) =   0.393%  kept
          QD1   LEU   67 - HZ3   TRP   87  13.35 +/- 3.68   7.072% *  0.5483% (0.87   0.02   0.02) =   0.151%  kept
          QD2   LEU   40 - HZ3   TRP   87  11.34 +/- 3.57   3.919% *  0.5279% (0.84   0.02   0.02) =   0.080%
          QD2   LEU   71 - HZ3   TRP   87  14.43 +/- 3.46   3.861% *  0.4830% (0.76   0.02   0.02) =   0.072%
          HB    VAL   75 - HZ3   TRP   87  11.44 +/- 2.97  11.075% *  0.1576% (0.25   0.02   0.02) =   0.068%
          QG2   ILE  119 - HZ3   TRP   87  18.45 +/- 3.42   2.475% *  0.2834% (0.45   0.02   0.02) =   0.027%
    Distance limit 5.50 A violated in 2 structures by 0.66 A, kept.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.765, support = 0.84, residual support = 3.74:
          HG12  ILE  103 - HZ3   TRP   87   7.76 +/- 6.50  34.572% * 58.6309% (0.76   0.91   4.39) =  85.040%  kept
          QB    LYS+ 102 - HZ3   TRP   87  11.69 +/- 6.09   8.892% * 32.6147% (0.76   0.51   0.02) =  12.167%  kept
          HB    VAL   41 - HZ3   TRP   87  11.35 +/- 4.80  11.436% *  1.5055% (0.90   0.02   0.26) =   0.722%  kept
          HG2   PRO   93 - HZ3   TRP   87  16.17 +/- 1.88   7.834% *  1.5879% (0.95   0.02   0.02) =   0.522%  kept
          QB    LYS+  65 - HZ3   TRP   87  17.56 +/- 4.48  10.109% *  1.0859% (0.65   0.02   0.02) =   0.461%  kept
          QB    LYS+  66 - HZ3   TRP   87  17.97 +/- 3.66   6.520% *  1.6638% (0.99   0.02   0.02) =   0.455%  kept
          HB2   LEU   71 - HZ3   TRP   87  15.93 +/- 4.24   7.549% *  1.0181% (0.61   0.02   0.02) =   0.322%  kept
          HB3   PRO   52 - HZ3   TRP   87  20.78 +/- 3.74   5.621% *  0.8171% (0.49   0.02   0.02) =   0.193%  kept
          HB3   GLN   17 - HZ3   TRP   87  23.31 +/- 6.59   5.916% *  0.2590% (0.15   0.02   0.02) =   0.064%
          HG    LEU  123 - HZ3   TRP   87  24.41 +/- 4.54   1.552% *  0.8171% (0.49   0.02   0.02) =   0.053%
    Distance limit 5.50 A violated in 5 structures by 1.44 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   2.82 +/- 0.56 100.000% *100.0000% (0.61   3.86  73.47) = 100.000%  kept
    Distance limit 5.08 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   2.58 +/- 0.54 100.000% *100.0000% (0.98 10.00   3.44  73.47) = 100.000%  kept
    Distance limit 5.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.895, support = 1.91, residual support = 4.22:
          HA    ASP-  44 - QD    PHE   95   4.04 +/- 1.33  65.193% * 92.9299% (0.90   1.92   4.23) =  99.655%  kept
          HB    THR   77 - QD    PHE   95  10.31 +/- 1.99   8.375% *  0.9013% (0.84   0.02   0.02) =   0.124%  kept
          HA    ILE  103 - QD    PHE   95  11.23 +/- 0.48   5.256% *  0.7835% (0.73   0.02   0.02) =   0.068%
          HA    SER   85 - QD    PHE   95  15.15 +/- 0.97   2.284% *  0.9013% (0.84   0.02   0.02) =   0.034%
          HA    ASP-  86 - QD    PHE   95  15.29 +/- 1.56   2.334% *  0.7835% (0.73   0.02   0.02) =   0.030%
          HA    LEU  104 - QD    PHE   95  11.93 +/- 0.80   5.240% *  0.3000% (0.28   0.02   0.02) =   0.026%
          HA1   GLY   51 - QD    PHE   95  13.34 +/- 1.93   5.904% *  0.2135% (0.20   0.02   0.02) =   0.021%
          HA    GLU-  79 - QD    PHE   95  15.49 +/- 1.68   2.022% *  0.3681% (0.34   0.02   0.02) =   0.012%
          HA    GLU-  14 - QD    PHE   95  20.20 +/- 2.62   0.808% *  0.6980% (0.65   0.02   0.02) =   0.009%
          HA    THR   39 - QD    PHE   95  15.83 +/- 1.20   1.729% *  0.3000% (0.28   0.02   0.02) =   0.009%
          HA    ALA   12 - QD    PHE   95  22.80 +/- 3.63   0.494% *  0.8246% (0.76   0.02   0.02) =   0.007%
          HA    MET   11 - QD    PHE   95  24.92 +/- 4.42   0.361% *  0.9961% (0.92   0.02   0.02) =   0.006%
    Distance limit 5.05 A violated in 1 structures by 0.21 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   2.47 +/- 0.15 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.47) = 100.000%  kept
    Distance limit 4.58 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   2.57 +/- 0.20  95.660% * 96.3284% (0.99  10.0 10.00   3.31  73.47) =  99.837%  kept
          HG2   GLN  116 - QD    PHE   95   8.76 +/- 1.87   4.136% *  3.6446% (1.00   1.0  1.00   0.75   0.75) =   0.163%  kept
          HG2   GLU-  25 - QD    PHE   95  20.96 +/- 1.96   0.204% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.917, support = 3.57, residual support = 40.8:
        T HB    VAL  107 - QD    PHE   95   2.88 +/- 0.66  60.393% * 94.5974% (0.92 10.00   3.61  41.37) =  98.360%  kept
          QE    LYS+ 112 - QD    PHE   95   6.58 +/- 2.86  27.913% *  2.2614% (0.53  1.00   0.84   4.49) =   1.087%  kept
          HB3   PHE   45 - QD    PHE   95   6.70 +/- 1.26  10.674% *  3.0017% (0.53  1.00   1.11   1.89) =   0.552%  kept
          QG    GLU-  79 - QD    PHE   95  14.06 +/- 1.54   0.744% *  0.0539% (0.53  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QD    PHE   95  18.75 +/- 1.43   0.276% *  0.0856% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.705, support = 0.69, residual support = 2.47:
          HB3   ASP-  44 - QD    PHE   95   4.36 +/- 1.58  26.333% * 22.6893% (0.76   0.75   4.23) =  45.364%  kept
          HB2   LEU   63 - QD    PHE   95   7.16 +/- 2.52  13.029% * 22.4414% (0.65   0.88   2.08) =  22.200%  kept
          HB3   PRO   93 - QD    PHE   95   5.22 +/- 0.73  16.272% *  9.3885% (1.00   0.24   0.02) =  11.599%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.87 +/- 1.34   7.535% * 15.7209% (0.61   0.65   0.02) =   8.994%  kept
          HB3   LEU   73 - QD    PHE   95  10.08 +/- 3.42  11.435% *  5.5270% (0.38   0.37   0.11) =   4.798%  kept
          HB    VAL   42 - QD    PHE   95   7.87 +/- 1.39   4.813% * 12.7107% (0.31   1.04   0.77) =   4.645%  kept
          HB2   LYS+ 112 - QD    PHE   95   7.86 +/- 2.18   7.514% *  1.6861% (0.49   0.09   4.49) =   0.962%  kept
          HG3   LYS+  65 - QD    PHE   95  11.31 +/- 3.01   5.700% *  1.5436% (0.31   0.13   0.02) =   0.668%  kept
          HG    LEU   98 - QD    PHE   95  11.28 +/- 1.43   1.207% *  4.4867% (0.97   0.12   0.02) =   0.411%  kept
          HG2   LYS+ 111 - QD    PHE   95   9.56 +/- 1.86   2.552% *  1.0692% (0.31   0.09   0.14) =   0.207%  kept
          QB    ALA   84 - QD    PHE   95  11.24 +/- 1.21   1.207% *  0.7900% (1.00   0.02   0.02) =   0.072%
          QB    ALA  124 - QD    PHE   95  15.04 +/- 1.63   0.618% *  0.7100% (0.90   0.02   0.02) =   0.033%
          HB3   LEU   80 - QD    PHE   95  13.77 +/- 1.89   0.692% *  0.4165% (0.53   0.02   0.02) =   0.022%
          HG3   LYS+ 102 - QD    PHE   95  16.72 +/- 0.82   0.403% *  0.3255% (0.41   0.02   0.02) =   0.010%
          HB2   LEU   31 - QD    PHE   95  16.31 +/- 1.57   0.392% *  0.2971% (0.38   0.02   0.02) =   0.009%
          HG3   LYS+  33 - QD    PHE   95  17.76 +/- 1.51   0.298% *  0.1974% (0.25   0.02   0.02) =   0.004%
    Distance limit 5.05 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 = 3.89, residual support = 41.4:
        T QG2   VAL  107 - QD    PHE   95   2.39 +/- 0.51  95.732% * 99.7831% (0.99 10.00   3.89  41.37) =  99.997%  kept
          HG13  ILE  103 - QD    PHE   95  10.62 +/- 0.84   1.726% *  0.0806% (0.80  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD    PHE   95  12.26 +/- 2.44   1.164% *  0.0873% (0.87  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD    PHE   95  12.41 +/- 2.37   1.379% *  0.0490% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 4.55 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 = 0.971, support = 1.51, residual support = 7.87:
        T QD2   LEU  115 - QD    PHE   95   4.47 +/- 1.75  32.626% * 82.7308% (0.99 10.00   1.44   8.80) =  86.749%  kept
          QD1   LEU   63 - QD    PHE   95   5.78 +/- 2.83  27.196% * 11.8241% (0.90  1.00   2.27   2.08) =  10.335%  kept
          QD1   LEU   73 - QD    PHE   95   8.98 +/- 3.01  18.454% *  2.7359% (0.90  1.00   0.53   0.11) =   1.623%  kept
          QD2   LEU   63 - QD    PHE   95   6.53 +/- 2.82  16.218% *  2.4547% (0.31  1.00   1.37   2.08) =   1.279%  kept
          QD1   LEU  104 - QD    PHE   95   9.75 +/- 0.99   2.340% *  0.0971% (0.84  1.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - QD    PHE   95  12.12 +/- 1.68   1.239% *  0.1139% (0.98  1.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - QD    PHE   95  10.88 +/- 1.37   1.927% *  0.0436% (0.38  1.00   0.02   0.02) =   0.003%
    Distance limit 5.19 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 = 0.649, support = 0.729, residual support = 0.731:
        T QG1   VAL   42 - QD    PHE   95   4.94 +/- 1.26  40.593% * 62.9415% (0.65 10.00   0.75   0.77) =  81.121%  kept
        T QB    ALA   47 - QD    PHE   95   8.27 +/- 1.29  14.243% * 25.7004% (0.76 10.00   0.26   0.02) =  11.623%  kept
          QB    ALA   64 - QD    PHE   95   6.82 +/- 1.43  19.184% *  9.7927% (0.53  1.00   1.43   0.81) =   5.965%  kept
          HG2   LYS+ 112 - QD    PHE   95   7.88 +/- 2.98  25.980% *  1.5655% (0.31  1.00   0.39   4.49) =   1.291%  kept
    Distance limit 4.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.709, support = 4.82, residual support = 17.6:
          HA    ILE  119 - HD2   HIS  122   2.48 +/- 0.72  81.472% * 60.6455% (0.73   4.91  19.28) =  89.179%  kept
          HA    THR  118 - HD2   HIS  122   5.17 +/- 0.40  15.526% * 38.5902% (0.57   4.01   4.16) =  10.814%  kept
          HD3   PRO   58 - HD2   HIS  122  10.80 +/- 3.09   1.669% *  0.1049% (0.31   0.02   0.02) =   0.003%
          HA    VAL   75 - HD2   HIS  122  18.37 +/- 2.35   0.518% *  0.1925% (0.57   0.02   0.02) =   0.002%
          HB2   TRP   49 - HD2   HIS  122  21.53 +/- 4.32   0.197% *  0.2199% (0.65   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD2   HIS  122  16.07 +/- 2.24   0.410% *  0.0945% (0.28   0.02   0.02) =   0.001%
          HA    ALA   84 - HD2   HIS  122  22.67 +/- 2.22   0.208% *  0.1524% (0.45   0.02   0.02) =   0.001%
    Distance limit 5.16 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 = 3.91, residual support = 76.0:
      O T HB2   HIS  122 - HD2   HIS  122   3.79 +/- 0.40  93.604% * 99.7225% (0.49  10.0 10.00   3.91  75.97) =  99.993%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.51 +/- 1.19   3.005% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS   22 - HD2   HIS  122  22.54 +/- 5.79   1.811% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HD2   HIS  122  16.45 +/- 2.77   1.580% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.27 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 = 0.949, support = 4.3, residual support = 74.7:
      O T HB3   HIS  122 - HD2   HIS  122   3.08 +/- 0.37  68.896% * 85.9259% (0.97  10.0 10.00   4.28  75.97) =  94.154%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.48 +/- 1.16  26.238% * 14.0039% (0.69   1.0  1.00   4.58  54.49) =   5.844%  kept
          HG2   GLN   30 - HD2   HIS  122  19.63 +/- 5.89   4.679% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HD2   HIS  122  23.34 +/- 3.10   0.187% *  0.0504% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.68, support = 0.042, residual support = 0.02:
          QB    LYS+ 106 - HD2   HIS  122  12.31 +/- 3.77   6.676% * 30.7462% (0.65   0.10   0.02) =  28.616%  kept
          HB    ILE   56 - HD2   HIS  122  10.87 +/- 3.40  14.442% *  9.6062% (0.98   0.02   0.02) =  19.341%  kept
          HB3   PRO   58 - HD2   HIS  122  10.50 +/- 3.56  17.325% *  5.9442% (0.61   0.02   0.02) =  14.357%  kept
          HB3   ASP- 105 - HD2   HIS  122   9.73 +/- 5.72  23.798% *  3.3430% (0.34   0.02   0.02) =  11.091%  kept
          HB3   GLN   30 - HD2   HIS  122  18.90 +/- 5.86   7.602% *  9.0468% (0.92   0.02   0.02) =   9.588%  kept
          QB    LYS+  33 - HD2   HIS  122  19.90 +/- 5.56   6.512% *  4.3938% (0.45   0.02   0.02) =   3.989%  kept
          HB3   LYS+  38 - HD2   HIS  122  20.57 +/- 5.80   2.815% *  9.7786% (1.00   0.02   0.02) =   3.837%  kept
          HG3   PRO   68 - HD2   HIS  122  14.73 +/- 5.09  10.470% *  2.4437% (0.25   0.02   0.02) =   3.567%  kept
          HG2   ARG+  54 - HD2   HIS  122  16.90 +/- 4.51   4.745% *  3.0248% (0.31   0.02   0.02) =   2.001%  kept
          HB2   MET   92 - HD2   HIS  122  19.77 +/- 2.23   1.166% *  7.8475% (0.80   0.02   0.02) =   1.275%  kept
          HB    ILE  103 - HD2   HIS  122  16.60 +/- 5.59   2.878% *  2.7249% (0.28   0.02   0.02) =   1.093%  kept
          QB    LYS+  81 - HD2   HIS  122  24.32 +/- 2.78   1.048% *  5.9442% (0.61   0.02   0.02) =   0.869%  kept
          HB3   GLN   90 - HD2   HIS  122  25.19 +/- 1.94   0.523% *  5.1562% (0.53   0.02   0.02) =   0.376%  kept
    Distance limit 5.19 A violated in 6 structures by 0.78 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 = 0.901, support = 6.0, residual support = 53.6:
          HB2   LYS+ 121 - HD2   HIS  122   3.28 +/- 0.42  77.627% * 67.8053% (0.92   6.07  54.49) =  94.371%  kept
          HB2   LEU  123 - HD2   HIS  122   6.70 +/- 0.42  10.101% * 30.9226% (0.53   4.86  39.15) =   5.600%  kept
          QD    LYS+  38 - HD2   HIS  122  19.00 +/- 5.78   1.966% *  0.2413% (1.00   0.02   0.02) =   0.009%
          QD    LYS+  65 - HD2   HIS  122  13.23 +/- 2.07   1.757% *  0.2288% (0.95   0.02   0.02) =   0.007%
          QD    LYS+ 102 - HD2   HIS  122  18.12 +/- 5.70   1.120% *  0.1848% (0.76   0.02   0.02) =   0.004%
          QB    ALA   57 - HD2   HIS  122  11.26 +/- 2.62   3.964% *  0.0373% (0.15   0.02   0.02) =   0.003%
          HG3   PRO   93 - HD2   HIS  122  16.95 +/- 2.88   0.966% *  0.1369% (0.57   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   HIS  122  17.23 +/- 3.04   0.954% *  0.0908% (0.38   0.02   0.02) =   0.002%
          HB    VAL   83 - HD2   HIS  122  22.71 +/- 2.82   0.339% *  0.2371% (0.98   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HD2   HIS  122  17.05 +/- 1.23   0.639% *  0.0672% (0.28   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  18.48 +/- 2.12   0.568% *  0.0479% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.08 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 = 0.816, support = 4.94, residual support = 54.4:
          HB3   LYS+ 121 - HD2   HIS  122   4.23 +/- 0.67  39.603% * 70.3593% (1.00   4.78  54.49) =  72.265%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.37 +/- 1.12  39.069% * 27.1850% (0.34   5.40  54.49) =  27.545%  kept
          HG    LEU  104 - HD2   HIS  122  13.53 +/- 6.34   3.083% *  1.4286% (1.00   0.10   0.02) =   0.114%  kept
          QD    LYS+  66 - HD2   HIS  122  12.68 +/- 4.58   9.126% *  0.2144% (0.73   0.02   0.02) =   0.051%
          QG2   THR   26 - HD2   HIS  122  18.21 +/- 4.98   5.549% *  0.0657% (0.22   0.02   0.02) =   0.009%
          HB3   LYS+ 111 - HD2   HIS  122  15.19 +/- 1.39   0.811% *  0.2849% (0.97   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HD2   HIS  122  17.62 +/- 3.23   0.634% *  0.2793% (0.95   0.02   0.02) =   0.005%
          HG2   LYS+  33 - HD2   HIS  122  21.04 +/- 5.94   1.181% *  0.1007% (0.34   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HD2   HIS  122  14.18 +/- 1.75   0.944% *  0.0821% (0.28   0.02   0.02) =   0.002%
    Distance limit 5.21 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 = 0.199, support = 3.54, residual support = 18.6:
          QG2   ILE  119 - HD2   HIS  122   4.10 +/- 0.74  50.368% * 70.3384% (0.18  1.00   3.67  19.28) =  96.572%  kept
          QD1   LEU   67 - HD2   HIS  122  11.86 +/- 3.77   4.727% *  9.4046% (1.00  1.00   0.09   0.02) =   1.212%  kept
          QD2   LEU   40 - HD2   HIS  122  10.44 +/- 5.05  19.617% *  2.1916% (1.00  1.00   0.02   0.02) =   1.172%  kept
          QD2   LEU   71 - HD2   HIS  122  13.40 +/- 4.75  17.951% *  0.9010% (0.41  1.00   0.02   0.02) =   0.441%  kept
        T HB    VAL   75 - HD2   HIS  122  16.32 +/- 2.47   0.902% * 12.4076% (0.57 10.00   0.02   0.02) =   0.305%  kept
          QG2   ILE  103 - HD2   HIS  122  12.11 +/- 4.59   4.022% *  2.1150% (0.97  1.00   0.02   0.02) =   0.232%  kept
          QD1   ILE  103 - HD2   HIS  122  14.42 +/- 4.02   1.799% *  0.6764% (0.31  1.00   0.02   0.02) =   0.033%
          HG3   LYS+  74 - HD2   HIS  122  17.72 +/- 3.49   0.615% *  1.9654% (0.90  1.00   0.02   0.02) =   0.033%
    Distance limit 5.12 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 = 0.488, support = 4.39, residual support = 38.9:
          QD1   LEU  123 - HD2   HIS  122   4.61 +/- 1.00  40.881% * 52.3391% (0.49   4.60  39.15) =  71.495%  kept
          QD2   LEU  123 - HD2   HIS  122   6.24 +/- 1.06  18.349% * 45.3162% (0.49   3.98  39.15) =  27.784%  kept
          HB3   LEU  104 - HD2   HIS  122  11.98 +/- 6.28   8.378% *  1.8945% (0.84   0.10   0.02) =   0.530%  kept
          QD1   LEU   71 - HD2   HIS  122  13.52 +/- 5.11  16.117% *  0.2276% (0.49   0.02   0.02) =   0.123%  kept
          QG1   VAL   70 - HD2   HIS  122  10.56 +/- 4.10  14.526% *  0.1300% (0.28   0.02   0.02) =   0.063%
          QG1   VAL   18 - HD2   HIS  122  13.86 +/- 3.33   1.750% *  0.0926% (0.20   0.02   0.02) =   0.005%
    Distance limit 5.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.31, residual support = 4.16:
        T QG2   THR  118 - HD2   HIS  122   3.52 +/- 0.32 100.000% *100.0000% (0.69 10.00   1.31   4.16) = 100.000%  kept
    Distance limit 3.71 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 = 0.844, support = 1.31, residual support = 9.46:
          HB3   LEU   73 - HE3   TRP   27   7.34 +/- 4.36  20.183% * 43.9995% (0.94   1.45  13.44) =  68.056%  kept
          HB    VAL   42 - HE3   TRP   27   8.88 +/- 1.95   7.216% * 33.3807% (0.97   1.06   0.47) =  18.459%  kept
          HG3   LYS+  65 - HN    LEU   67   5.22 +/- 0.96  21.173% *  4.9079% (0.15   1.00   0.39) =   7.964%  kept
          HB2   LEU   80 - HE3   TRP   27  12.53 +/- 7.61   6.595% *  5.1508% (0.17   0.92   7.25) =   2.603%  kept
          HB3   LYS+  74 - HE3   TRP   27   9.52 +/- 2.88   3.958% *  7.4076% (0.31   0.75   0.02) =   2.247%  kept
          HG3   LYS+  33 - HE3   TRP   27   8.39 +/- 0.67   4.074% *  0.6393% (0.99   0.02   0.02) =   0.200%  kept
          QB    LEU   98 - HE3   TRP   27   9.53 +/- 2.51   4.676% *  0.3627% (0.56   0.02   0.02) =   0.130%  kept
          HG3   LYS+  65 - HE3   TRP   27  14.80 +/- 2.95   0.886% *  0.6280% (0.97   0.02   0.02) =   0.043%
          HG3   LYS+ 102 - HE3   TRP   27  17.18 +/- 3.85   0.901% *  0.5914% (0.91   0.02   0.02) =   0.041%
          QB    ALA   12 - HE3   TRP   27  15.07 +/- 3.03   0.867% *  0.5352% (0.83   0.02   0.02) =   0.036%
          HB    VAL   42 - HN    LEU   67   8.70 +/- 1.73   4.671% *  0.0977% (0.15   0.02   0.02) =   0.035%
          HG3   LYS+ 106 - HE3   TRP   27  14.64 +/- 2.57   0.922% *  0.4896% (0.76   0.02   0.02) =   0.035%
          HD3   LYS+ 121 - HE3   TRP   27  19.80 +/- 6.56   2.383% *  0.1781% (0.28   0.02   0.02) =   0.033%
          HB3   LEU   73 - HN    LEU   67  11.27 +/- 1.89   2.796% *  0.0943% (0.15   0.02   0.02) =   0.020%
          HG    LEU   98 - HE3   TRP   27  11.14 +/- 2.88   2.788% *  0.0867% (0.13   0.02   0.02) =   0.019%
          QB    ALA   84 - HE3   TRP   27  13.63 +/- 4.50   1.648% *  0.1268% (0.20   0.02   0.02) =   0.016%
          HB2   LYS+ 112 - HE3   TRP   27  21.19 +/- 2.71   0.279% *  0.5558% (0.86   0.02   0.02) =   0.012%
          HB3   LYS+  74 - HN    LEU   67  10.30 +/- 2.91   4.456% *  0.0308% (0.05   0.02   0.02) =   0.011%
          HG3   LYS+  33 - HN    LEU   67  15.89 +/- 2.73   1.151% *  0.0995% (0.15   0.02   0.02) =   0.009%
          QB    ALA   12 - HN    LEU   67  15.78 +/- 3.84   1.272% *  0.0833% (0.13   0.02   0.02) =   0.008%
          HB3   PRO   93 - HE3   TRP   27  16.23 +/- 2.29   0.661% *  0.1426% (0.22   0.02   0.02) =   0.007%
          QB    LEU   98 - HN    LEU   67  13.04 +/- 1.92   1.160% *  0.0564% (0.09   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - HN    LEU   67  17.28 +/- 2.75   0.533% *  0.0865% (0.13   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LEU   67  16.78 +/- 2.79   0.566% *  0.0762% (0.12   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LEU   67  15.05 +/- 3.50   1.471% *  0.0222% (0.03   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    LEU   67  21.57 +/- 2.12   0.247% *  0.0920% (0.14   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    LEU   67  16.60 +/- 4.09   0.803% *  0.0277% (0.04   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   67  14.94 +/- 2.21   0.761% *  0.0135% (0.02   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   67  17.76 +/- 2.18   0.446% *  0.0197% (0.03   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  18.36 +/- 2.88   0.459% *  0.0175% (0.03   0.02   0.02) =   0.001%
    Distance limit 5.40 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        :     73
      with multiple volume contributions     :    131
      eliminated by violation filter         :      6
 
    Peaks:
      selected                               :    244
      without assignment                     :     19
      with assignment                        :    225
      with unique assignment                 :    102
      with multiple assignment               :    123
      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             :    193
 
    Atoms with eliminated volume contribution > 2.5: